mqapRNA
Results for job: 5cd59296-184c-4c07-ae85-11609ea383e2
The lower score, the better. SS: Secondary Structure Penalty, RST: Distance Restraints Penalty
The raw output files for each step of the pipeline can be found here
mqaprna.py
ver: f69479e-dirty
start 2017-12-03 12:10:15
-------------------------- ----------------------------------------------------
Seq ss fn /home/mqapRNA/mqapRNAweb/media/jobs/5cd59296-184c-4c07-ae85-11609ea383e2/ss.txt
Output csv /home/mqapRNA/mqapRNAweb/media/jobs/5cd59296-184c-4c07-ae85-11609ea383e2/5cd5929_raw.csv
Input files #26 ['input/ur19_40x_ALL_thrs4.30A_clust01-000001_AA.pdb', 'input/ur19_40x_ALL_thrs4.30A_clust02-000001_AA.pdb', 'input/ur19_40x_ALL_thrs4.30A_clust03-000001_AA.pdb']
RNAkb 5pt
Model path /home/magnus/Dropbox/WORK_/mqaprna-papier/SVMlin.rda
Multiprocessing on
Verbose off
Ignore pdb fn off
Methods ClashScore,AnalyzeGeometry,FARNA,SimRNA_0,RNAscore,eSCORE,RNAkb,SSAgreement,FARNA_hires,RASP,RNAkb_all
rmsd biopython_all
Native pdb off
RASP all
-------------------------- ----------------------------------------------------
AnalyzeGeometry on
SSAgreement on
pdb_id >seq
ref_seq UCACGUUCACCUCGUUUUCAGCGAGGCGCAGUUCGACUCAGGCCAUGGAACGGGGACCUGAG
ref_ss ...[[[[[.((((((.....))))))..........((((((((...]]]]].)).))))))
to ignore 0 []
files to analyze: 26 ['input/ur19_40x_ALL_thrs4.30A_clust01-000001_AA.pdb', 'input/ur19_40x_ALL_thrs4.30A_clust02-000001_AA.pdb', 'input/ur19_40x_ALL_thrs4.30A_clust03-000001_AA.pdb', 'input/ur19_40x_ALL_thrs4.30A_clust04-000001_AA.pdb', 'input/ur19_40x_ALL_thrs4.30A_clust05-000001_AA.pdb']
--------------------------------------------------------------------------------
[--- ] 1 3.85 % 26 10
True ur19_40x_ALL_thrs4.30A_clust09-000001_AA.pdb {'AnalyzeGeometry': 32.2581, 'eSCORE': 1.35734, 'FARNA': ['-28.84', '-5.541', '-19.665', '-115.81', '-16.938', '-266.63', '32.584', '71.103', '-15.753', '-348.602', '0.0', '0.0', '16.888', '0.0'], 'ClashScore': 134.238311, 'length': 62, 'SimRNA_0': ['0', '-473.478420', '-222.046', '-26.101', '-1.316', '-250.117101', '-28.629', '-47.716', '-35.806', '-22.231', '-115.735', '', '-473.478420'], 'FARNA_hires': ['0.0', '-330.069', '-0.646', '0.0', '1.75', '10.894', '-317.923', '11.755', '-154.21', '2.898', '-82.468', '29.361', '-20.009', '176.841', '11.687'], 'RNAscore': 17.8469, 'RASP': ['3.5386', '678', '0.00521917', '8.13282', '3.56967', '-1.28701', '-4742.05', '40814', '-0.116187', '-4617.29', '39.489', '-3.15952', '-11288.5', '93907', '-0.120209', '-10568.7', '82.2011', '-8.7558', '-28208.5', '324135', '-0.087027', '0', '0', '0'], 'RNAkb': ['2.26665e+04', '1.16487e+04', '6.11500e+03', '2.06286e+01', '0.00000e+00', '0.00000e+00', '-2.01572e-04', '0.00000e+00', '4.04508e+04', '1.35338e-09', '4.04508e+04'], 'RNAkb_all': ['2.26665e+04', '1.16487e+04', '6.11500e+03', '2.06286e+01', '0.00000e+00', '0.00000e+00', '-5.27187e-04', '0.00000e+00', '4.04508e+04', '1.35338e-09', '4.04508e+04'], 'SSAgreement': 'error'}
[------ ] 2 7.69 % 26 10
True ur19_40x_ALL_thrs4.30A_clust01-000001_AA.pdb {'AnalyzeGeometry': 29.0323, 'eSCORE': 1.35038, 'FARNA': ['-28.07', '-2.392', '-27.082', '-104.117', '-22.065', '-245.737', '29.612', '60.341', '-16.218', '-337.517', '0.0', '0.0', '18.211', '0.0'], 'ClashScore': 162.81407, 'length': 62, 'SimRNA_0': ['0', '-480.820556', '-220.454', '-54.262', '-0.560', '-259.806412', '-28.090', '-48.732', '-32.686', '-24.638', '-125.661', '', '-480.820556'], 'FARNA_hires': ['0.0', '-355.851', '-1.778', '0.0', '1.938', '8.079', '-329.003', '11.757', '-156.379', '1.607', '-90.0', '21.114', '-4.634', '170.731', '10.717'], 'RNAscore': 17.6595, 'RASP': ['-4.3031', '728', '-0.00591085', '6.0531', '3.40914', '-3.03777', '-5363.76', '44094', '-0.121644', '-5030.78', '37.6725', '-8.8389', '-11835', '101337', '-0.116788', '-10823.3', '74.4432', '-13.5895', '-28341.1', '353135', '-0.0802557', '0', '0', '0'], 'RNAkb': ['2.78224e+04', '1.33216e+04', '6.15000e+03', '2.86061e+01', '0.00000e+00', '0.00000e+00', '-6.78365e-04', '0.00000e+00', '4.73226e+04', '1.48720e-09', '4.73226e+04'], 'RNAkb_all': ['2.78224e+04', '1.33216e+04', '6.15000e+03', '2.86061e+01', '0.00000e+00', '0.00000e+00', '-4.49227e-04', '0.00000e+00', '4.73226e+04', '1.48720e-09', '4.73226e+04'], 'SSAgreement': 'error'}
[--------- ] 3 11.54 % 26 10
True ur19_40x_ALL_thrs4.30A_clust07-000001_AA.pdb {'AnalyzeGeometry': 40.3226, 'eSCORE': 1.23289, 'FARNA': ['-27.025', '-5.858', '-21.261', '-102.735', '-17.995', '-241.693', '35.67', '66.589', '-16.124', '-311.861', '0.0', '0.0', '18.571', '0.0'], 'ClashScore': 165.829146, 'length': 62, 'SimRNA_0': ['0', '-423.095097', '-165.982', '10.439', '-1.569', '-255.544458', '-25.370', '-53.138', '-37.403', '-24.840', '-114.794', '', '-423.095097'], 'FARNA_hires': ['0.0', '-337.428', '-1.479', '0.0', '3.713', '10.414', '-316.766', '12.565', '-146.067', '3.557', '-85.967', '15.101', '-4.391', '162.321', '9.572'], 'RNAscore': 18.3308, 'RASP': ['0.975', '736', '0.00132473', '7.50169', '3.53896', '-1.84424', '-5197.26', '44311', '-0.11729', '-4881.57', '44.9111', '-7.02908', '-12022.7', '102015', '-0.117852', '-11034.7', '76.3334', '-12.9427', '-27090.1', '355632', '-0.0761745', '0', '0', '0'], 'RNAkb': ['1.86763e+04', '1.32184e+04', '6.27167e+03', '3.81774e+01', '0.00000e+00', '0.00000e+00', '-3.37417e-04', '0.00000e+00', '3.82046e+04', '1.28265e-09', '3.82046e+04'], 'RNAkb_all': ['1.86763e+04', '1.32184e+04', '6.27167e+03', '3.81774e+01', '0.00000e+00', '0.00000e+00', '-3.62705e-04', '0.00000e+00', '3.82046e+04', '1.28265e-09', '3.82046e+04'], 'SSAgreement': 'error'}
[------------ ] 4 15.38 % 26 10
True ur19_40x_ALL_thrs4.30A_clust11-000001_AA.pdb {'AnalyzeGeometry': 29.0323, 'eSCORE': 1.34259, 'FARNA': ['-25.657', '-2.418', '-21.083', '-97.868', '-18.035', '-235.774', '36.503', '61.138', '-21.922', '-308.071', '0.0', '0.0', '17.044', '0.0'], 'ClashScore': 168.172691, 'length': 62, 'SimRNA_0': ['0', '-493.588242', '-216.572', '-39.328', '-1.059', '-275.957538', '-32.119', '-53.052', '-31.530', '-27.758', '-131.498', '', '-493.588242'], 'FARNA_hires': ['0.0', '-357.05', '-2.33', '0.0', '2.373', '8.148', '-308.272', '12.566', '-165.174', '1.621', '-92.618', '23.052', '-4.647', '160.678', '7.554'], 'RNAscore': 18.9449, 'RASP': ['-0.4784', '737', '-0.000649118', '4.99965', '4.35299', '-1.25846', '-5449.14', '45261', '-0.120394', '-5255.3', '45.5442', '-4.25623', '-12431.7', '103096', '-0.120583', '-11671.8', '81.0084', '-9.38009', '-28714.9', '374237', '-0.0767293', '0', '0', '0'], 'RNAkb': ['2.74471e+04', '1.30627e+04', '5.95694e+03', '1.75027e+01', '0.00000e+00', '0.00000e+00', '-6.90920e-04', '0.00000e+00', '4.64842e+04', '1.49468e-09', '4.64842e+04'], 'RNAkb_all': ['2.74471e+04', '1.30627e+04', '5.95694e+03', '1.75027e+01', '0.00000e+00', '0.00000e+00', '-3.00925e-04', '0.00000e+00', '4.64842e+04', '1.49468e-09', '4.64842e+04'], 'SSAgreement': 'error'}
[--------------- ] 5 19.23 % 26 10
True ur19_40x_ALL_thrs4.30A_clust03-000001_AA.pdb {'AnalyzeGeometry': 40.3226, 'eSCORE': 1.32422, 'FARNA': ['-28.69', '-5.227', '-19.673', '-106.324', '-16.703', '-249.558', '26.894', '74.742', '-21.647', '-329.893', '0.0', '0.0', '16.291', '0.0'], 'ClashScore': 173.782019, 'length': 62, 'SimRNA_0': ['0', '-421.335858', '-193.071', '-17.869', '-0.271', '-227.994102', '-26.495', '-53.554', '-30.830', '-25.922', '-91.193', '', '-421.335858'], 'FARNA_hires': ['0.0', '-226.889', '-1.476', '0.0', '3.331', '11.428', '-157.796', '15.159', '-143.986', '2.07', '-99.152', '17.612', '-13.849', '130.173', '9.596'], 'RNAscore': 18.3761, 'RASP': ['1.0236', '747', '0.00137028', '7.14909', '3.96985', '-1.543', '-4628.56', '45588', '-0.10153', '-4373.15', '43.4824', '-5.87396', '-10379.1', '104394', '-0.0994228', '-9509.74', '84.0203', '-10.3476', '-26266.8', '354217', '-0.0741546', '0', '0', '0'], 'RNAkb': ['1.63132e+04', '1.34571e+04', '6.25867e+03', '3.25722e+01', '0.00000e+00', '0.00000e+00', '1.58072e-05', '0.00000e+00', '3.60615e+04', '1.22730e-09', '3.60615e+04'], 'RNAkb_all': ['1.63132e+04', '1.34571e+04', '6.25867e+03', '3.25722e+01', '0.00000e+00', '0.00000e+00', '-4.40899e-04', '0.00000e+00', '3.60615e+04', '1.22730e-09', '3.60615e+04'], 'SSAgreement': 'error'}
[------------------ ] 6 23.08 % 26 10
True ur19_40x_ALL_thrs4.30A_clust10-000001_AA.pdb {'AnalyzeGeometry': 40.3226, 'eSCORE': 1.30421, 'FARNA': ['-27.829', '-1.591', '-19.911', '-105.451', '-16.107', '-235.869', '37.39', '47.391', '-10.429', '-314.662', '0.0', '0.0', '17.746', '0.0'], 'ClashScore': 142.282554, 'length': 62, 'SimRNA_0': ['0', '-456.535897', '-199.439', '-27.736', '-0.529', '-256.567100', '-31.081', '-48.772', '-37.517', '-28.255', '-110.942', '', '-456.535897'], 'FARNA_hires': ['0.0', '-359.337', '-1.182', '0.0', '1.835', '7.856', '-336.367', '10.394', '-157.932', '3.055', '-91.745', '31.116', '-8.437', '171.76', '10.311'], 'RNAscore': 18.4173, 'RASP': ['-2.3767', '684', '-0.00347471', '7.5916', '3.48394', '-2.86122', '-5055.38', '42069', '-0.120169', '-4819.81', '38.1756', '-6.17085', '-11545.8', '96482', '-0.119668', '-10702.8', '74.9558', '-11.2476', '-27469.5', '334512', '-0.0821182', '0', '0', '0'], 'RNAkb': ['2.85693e+04', '1.17873e+04', '6.16584e+03', '2.53766e+01', '0.00000e+00', '0.00000e+00', '-3.68106e-04', '0.00000e+00', '4.65479e+04', '1.49094e-09', '4.65479e+04'], 'RNAkb_all': ['2.85693e+04', '1.17873e+04', '6.16584e+03', '2.53766e+01', '0.00000e+00', '0.00000e+00', '-5.14482e-04', '0.00000e+00', '4.65479e+04', '1.49094e-09', '4.65479e+04'], 'SSAgreement': 'error'}
[--------------------- ] 7 26.92 % 26 10
True ur19_40x_ALL_thrs4.30A_clust05-000001_AA.pdb {'AnalyzeGeometry': 33.871, 'eSCORE': 1.39316, 'FARNA': ['-24.03', '-0.681', '-23.521', '-106.669', '-20.17', '-251.288', '10.327', '29.953', '-23.864', '-391.575', '0.0', '0.0', '18.367', '0.0'], 'ClashScore': 143.935581, 'length': 62, 'SimRNA_0': ['0', '-444.940450', '-192.078', '-35.036', '1.177', '-254.039217', '-29.925', '-51.072', '-34.796', '-25.689', '-112.558', '', '-444.940450'], 'FARNA_hires': ['0.0', '-351.129', '-0.318', '0.0', '2.239', '6.141', '-307.812', '11.036', '-152.489', '5.447', '-90.772', '17.003', '0.0', '146.982', '11.414'], 'RNAscore': 17.9565, 'RASP': ['-2.4152', '673', '-0.00358871', '6.05896', '3.29971', '-2.56815', '-5134.39', '40796', '-0.125855', '-4879.64', '42.834', '-5.94736', '-11684.8', '93683', '-0.124727', '-10826.7', '80.7049', '-10.6329', '-28617.5', '324713', '-0.0881317', '0', '0', '0'], 'RNAkb': ['2.49469e+04', '1.30335e+04', '6.09661e+03', '3.82533e+01', '0.00000e+00', '0.00000e+00', '-4.90407e-04', '0.00000e+00', '4.41153e+04', '1.42131e-09', '4.41153e+04'], 'RNAkb_all': ['2.49469e+04', '1.30335e+04', '6.09661e+03', '3.82533e+01', '0.00000e+00', '0.00000e+00', '-3.88644e-04', '0.00000e+00', '4.41153e+04', '1.42131e-09', '4.41153e+04'], 'SSAgreement': 'error'}
[------------------------ ] 8 30.77 % 26 10
True ur19_40x_ALL_thrs4.30A_clust02-000001_AA.pdb {'AnalyzeGeometry': 25.8065, 'eSCORE': 1.3358, 'FARNA': ['-28.143', '-8.251', '-26.973', '-113.012', '-22.069', '-249.846', '33.116', '60.111', '-23.031', '-363.114', '0.0', '0.0', '14.984', '0.0'], 'ClashScore': 163.654618, 'length': 62, 'SimRNA_0': ['0', '-444.869136', '-193.316', '-6.101', '1.157', '-252.710010', '-23.049', '-49.219', '-33.727', '-19.059', '-127.656', '', '-444.869136'], 'FARNA_hires': ['0.0', '-309.949', '-2.0', '0.0', '3.002', '8.883', '-291.202', '11.412', '-157.629', '2.574', '-81.822', '25.792', '-5.05', '167.551', '8.539'], 'RNAscore': 18.76, 'RASP': ['1.3514', '780', '0.00173256', '8.22883', '3.63722', '-1.89085', '-4710.32', '47275', '-0.0996365', '-4477.13', '45.0742', '-5.17348', '-10749.1', '109036', '-0.0985834', '-9900.45', '75.9695', '-11.1715', '-26604', '378182', '-0.070347', '0', '0', '0'], 'RNAkb': ['1.26573e+04', '1.31241e+04', '6.05562e+03', '1.87267e+01', '0.00000e+00', '0.00000e+00', '-3.31993e-04', '0.00000e+00', '3.18557e+04', '1.11795e-09', '3.18557e+04'], 'RNAkb_all': ['1.26573e+04', '1.31241e+04', '6.05562e+03', '1.87267e+01', '0.00000e+00', '0.00000e+00', '-3.36301e-04', '0.00000e+00', '3.18557e+04', '1.11795e-09', '3.18557e+04'], 'SSAgreement': 'error'}
[--------------------------- ] 9 34.62 % 26 10
True ur19_40x_ALL_thrs4.30A_clust04-000001_AA.pdb {'AnalyzeGeometry': 27.4194, 'eSCORE': 1.3276, 'FARNA': ['-30.411', '-9.583', '-23.413', '-119.527', '-19.945', '-266.226', '30.244', '74.581', '-28.235', '-375.021', '0.0', '0.0', '17.493', '0.0'], 'ClashScore': 184.012066, 'length': 62, 'SimRNA_0': ['0', '-487.653335', '-235.031', '-62.472', '-0.019', '-252.602745', '-32.615', '-52.937', '-33.742', '-28.021', '-105.288', '', '-487.653335'], 'FARNA_hires': ['0.0', '-251.872', '-2.219', '0.0', '1.989', '9.122', '-237.858', '14.33', '-151.716', '1.394', '-87.667', '31.413', '-1.688', '159.447', '11.582'], 'RNAscore': 18.3501, 'RASP': ['2.4388', '761', '0.00320473', '7.15662', '3.72364', '-1.26699', '-5099.22', '45003', '-0.113309', '-4857.86', '41.9067', '-5.75965', '-11119.9', '104830', '-0.106076', '-10387.1', '87.8', '-8.3468', '-27147.5', '361332', '-0.0751319', '0', '0', '0'], 'RNAkb': ['2.27303e+04', '1.47478e+04', '6.29239e+03', '3.65921e+01', '0.00000e+00', '0.00000e+00', '-7.04533e-05', '0.00000e+00', '4.38070e+04', '1.35861e-09', '4.38070e+04'], 'RNAkb_all': ['2.27303e+04', '1.47478e+04', '6.29239e+03', '3.65921e+01', '0.00000e+00', '0.00000e+00', '-4.16516e-04', '0.00000e+00', '4.38070e+04', '1.35861e-09', '4.38070e+04'], 'SSAgreement': 'error'}
[------------------------------ ] 10 38.46 % 26 10
True ur19_40x_ALL_thrs4.30A_clust08-000001_AA.pdb {'AnalyzeGeometry': 33.871, 'eSCORE': 1.24343, 'FARNA': ['-25.259', '-6.401', '-17.496', '-93.071', '-13.874', '-238.19', '45.586', '53.475', '-22.731', '-301.099', '0.0', '0.0', '16.863', '0.0'], 'ClashScore': 195.881467, 'length': 62, 'SimRNA_0': ['0', '-461.671124', '-203.285', '-47.905', '-3.520', '-254.866250', '-29.997', '-53.353', '-36.710', '-22.403', '-112.403', '', '-461.671124'], 'FARNA_hires': ['0.0', '-338.965', '-2.054', '0.0', '2.471', '16.16', '-298.47', '13.08', '-155.939', '0.443', '-91.184', '13.424', '-13.811', '165.234', '11.681'], 'RNAscore': 18.6307, 'RASP': ['-1.3173', '744', '-0.00177056', '7.65336', '3.82096', '-2.34775', '-4782.65', '45497', '-0.10512', '-4571.63', '43.6852', '-4.83042', '-10702.1', '104746', '-0.102172', '-9808.62', '84.5755', '-10.5644', '-26040.4', '365609', '-0.0712248', '0', '0', '0'], 'RNAkb': ['9.84808e+03', '1.33485e+04', '6.18549e+03', '2.41290e+01', '0.00000e+00', '0.00000e+00', '-4.41022e-04', '0.00000e+00', '2.94062e+04', '1.05747e-09', '2.94062e+04'], 'RNAkb_all': ['9.84808e+03', '1.33485e+04', '6.18549e+03', '2.41290e+01', '0.00000e+00', '0.00000e+00', '-4.14102e-04', '0.00000e+00', '2.94062e+04', '1.05747e-09', '2.94062e+04'], 'SSAgreement': 'error'}
[--------------------------------- ] 11 42.31 % 26 10
True ur19_40x_ALL_thrs4.30A_clust06-000001_AA.pdb {'AnalyzeGeometry': 24.1935, 'eSCORE': 1.24519, 'FARNA': ['-26.952', '-9.045', '-15.631', '-103.979', '-12.918', '-231.318', '29.377', '31.156', '-12.132', '-333.398', '0.0', '0.0', '18.047', '0.0'], 'ClashScore': 115.461847, 'length': 62, 'SimRNA_0': ['0', '-515.121863', '-257.608', '-76.487', '-1.515', '-255.998789', '-22.682', '-50.709', '-39.881', '-26.400', '-116.327', '', '-515.121863'], 'FARNA_hires': ['0.0', '-353.877', '-1.461', '0.0', '1.814', '7.587', '-306.274', '13.393', '-165.032', '2.671', '-91.462', '20.299', '0.0', '156.839', '7.749'], 'RNAscore': 18.6724, 'RASP': ['0.4414', '708', '0.000623446', '6.12146', '3.18209', '-1.78501', '-5052.33', '42755', '-0.118169', '-4798.16', '37.0909', '-6.85277', '-11454', '98436', '-0.11636', '-10683', '74.1866', '-10.393', '-27355.5', '343863', '-0.0795535', '0', '0', '0'], 'RNAkb': ['1.55229e+04', '1.17521e+04', '5.99133e+03', '1.63634e+01', '0.00000e+00', '0.00000e+00', '-2.44879e-04', '0.00000e+00', '3.32827e+04', '1.18984e-09', '3.32827e+04'], 'RNAkb_all': ['1.55229e+04', '1.17521e+04', '5.99133e+03', '1.63634e+01', '0.00000e+00', '0.00000e+00', '-3.30773e-04', '0.00000e+00', '3.32827e+04', '1.18984e-09', '3.32827e+04'], 'SSAgreement': 'error'}
[------------------------------------ ] 12 46.15 % 26 10
True ur19_40x_ALL_thrs4.30A_clust17-000001_AA.pdb {'AnalyzeGeometry': 33.871, 'eSCORE': 1.31386, 'FARNA': ['-27.817', '-5.757', '-23.556', '-107.839', '-18.195', '-238.011', '38.521', '56.28', '-12.453', '-320.497', '0.0', '0.0', '18.331', '0.0'], 'ClashScore': 163.490471, 'length': 62, 'SimRNA_0': ['0', '-437.392199', '-195.453', '-29.725', '-0.566', '-241.373012', '-25.997', '-49.381', '-32.175', '-20.976', '-112.844', '', '-437.392199'], 'FARNA_hires': ['0.0', '-296.898', '-1.237', '0.0', '1.559', '9.633', '-283.154', '11.602', '-164.041', '1.462', '-85.003', '33.617', '-3.272', '175.552', '6.385'], 'RNAscore': 17.5016, 'RASP': ['-0.1028', '731', '-0.000140629', '6.75824', '3.20297', '-2.14208', '-5295.2', '44527', '-0.118921', '-4921.76', '44.9735', '-8.30356', '-11719.9', '101948', '-0.11496', '-10573.9', '77.4606', '-14.7948', '-27429.5', '350426', '-0.0782748', '0', '0', '0'], 'RNAkb': ['2.31284e+04', '1.43395e+04', '6.08017e+03', '1.75167e+01', '0.00000e+00', '0.00000e+00', '-4.81319e-04', '0.00000e+00', '4.35655e+04', '1.34941e-09', '4.35655e+04'], 'RNAkb_all': ['2.31284e+04', '1.43395e+04', '6.08017e+03', '1.75167e+01', '0.00000e+00', '0.00000e+00', '-3.61852e-04', '0.00000e+00', '4.35655e+04', '1.34941e-09', '4.35655e+04'], 'SSAgreement': 'error'}
[---------------------------------------- ] 13 50.0 % 26 10
True ur19_40x_ALL_thrs4.30A_clust12-000001_AA.pdb {'AnalyzeGeometry': 16.129, 'eSCORE': 1.34389, 'FARNA': ['-27.383', '-13.254', '-19.642', '-107.994', '-16.409', '-254.309', '40.973', '77.426', '-11.311', '-316.078', '0.0', '0.0', '15.826', '0.0'], 'ClashScore': 177.240685, 'length': 62, 'SimRNA_0': ['0', '-453.645117', '-207.109', '-26.949', '-1.354', '-245.181738', '-9.030', '-54.625', '-31.985', '-25.630', '-123.912', '', '-453.645117'], 'FARNA_hires': ['0.0', '-223.264', '-0.579', '0.0', '1.827', '6.58', '-86.923', '20.383', '-137.411', '3.154', '-114.719', '14.659', '-58.742', '117.466', '11.042'], 'RNAscore': 18.6695, 'RASP': ['2.5945', '762', '0.00340486', '8.0066', '4.34964', '-1.24426', '-5154.71', '46051', '-0.111935', '-4858.76', '41.6381', '-7.10771', '-11015.3', '106328', '-0.103597', '-10128.4', '90.9827', '-9.74837', '-27184', '368423', '-0.0737849', '0', '0', '0'], 'RNAkb': ['2.63486e+04', '1.01412e+04', '5.90022e+03', '2.31550e+01', '0.00000e+00', '0.00000e+00', '-3.04953e-04', '0.00000e+00', '4.24132e+04', '1.42293e-09', '4.24132e+04'], 'RNAkb_all': ['2.63486e+04', '1.01412e+04', '5.90022e+03', '2.31550e+01', '0.00000e+00', '0.00000e+00', '-3.31478e-04', '0.00000e+00', '4.24132e+04', '1.42293e-09', '4.24132e+04'], 'SSAgreement': 'error'}
[------------------------------------------- ] 14 53.85 % 26 10
True ur19_40x_ALL_thrs4.30A_clust15-000001_AA.pdb {'AnalyzeGeometry': 30.6452, 'eSCORE': 1.27781, 'FARNA': ['-29.026', '-0.046', '-18.802', '-104.434', '-14.925', '-245.26', '33.935', '52.197', '-8.027', '-315.955', '0.0', '0.0', '18.431', '0.0'], 'ClashScore': 145.153189, 'length': 62, 'SimRNA_0': ['0', '-471.052961', '-212.890', '-38.975', '-0.567', '-257.596275', '-25.476', '-52.535', '-35.861', '-31.318', '-112.407', '', '-471.052961'], 'FARNA_hires': ['0.0', '-326.221', '-1.909', '0.0', '1.941', '8.282', '-269.995', '9.123', '-149.237', '1.813', '-90.75', '14.596', '-3.19', '140.965', '12.139'], 'RNAscore': 17.2977, 'RASP': ['0.5011', '677', '0.000740177', '7.05941', '3.34397', '-1.96123', '-5347.62', '40805', '-0.131053', '-5148.07', '36.8631', '-5.4134', '-12051.4', '95120', '-0.126697', '-11320.7', '77.1034', '-9.47754', '-28832.2', '332714', '-0.0866576', '0', '0', '0'], 'RNAkb': ['2.97107e+04', '1.53062e+04', '6.19922e+03', '2.13231e+01', '0.00000e+00', '0.00000e+00', '-8.27389e-04', '0.00000e+00', '5.12374e+04', '1.51673e-09', '5.12374e+04'], 'RNAkb_all': ['2.97107e+04', '1.53062e+04', '6.19922e+03', '2.13231e+01', '0.00000e+00', '0.00000e+00', '-4.87685e-04', '0.00000e+00', '5.12374e+04', '1.51673e-09', '5.12374e+04'], 'SSAgreement': 'error'}
[---------------------------------------------- ] 15 57.69 % 26 10
True ur19_40x_ALL_thrs4.30A_clust13-000001_AA.pdb {'AnalyzeGeometry': 35.4839, 'eSCORE': 1.32843, 'FARNA': ['-29.076', '-20.359', '-27.45', '-114.315', '-21.51', '-256.11', '18.644', '23.97', '-16.701', '-425.339', '0.0', '0.0', '17.568', '0.0'], 'ClashScore': 127.318296, 'length': 62, 'SimRNA_0': ['0', '-483.113266', '-244.309', '-55.623', '3.173', '-241.977146', '-30.009', '-55.361', '-37.081', '-27.744', '-91.783', '', '-483.113266'], 'FARNA_hires': ['0.0', '-376.566', '-0.761', '0.0', '1.891', '7.085', '-347.559', '13.109', '-156.852', '5.886', '-87.297', '22.184', '-13.571', '167.037', '12.282'], 'RNAscore': 18.9498, 'RASP': ['1.3991', '781', '0.00179142', '11.3375', '4.02389', '-2.46985', '-4221.3', '46711', '-0.0903707', '-3959.74', '41.9541', '-6.23462', '-9223.3', '107989', '-0.0854096', '-8402.71', '89.1917', '-9.20022', '-23371.2', '372125', '-0.0628047', '0', '0', '0'], 'RNAkb': ['2.04253e+04', '1.16422e+04', '6.12293e+03', '2.88340e+01', '0.00000e+00', '0.00000e+00', '-1.61507e-04', '0.00000e+00', '3.82192e+04', '1.25728e-09', '3.82192e+04'], 'RNAkb_all': ['2.04253e+04', '1.16422e+04', '6.12293e+03', '2.88340e+01', '0.00000e+00', '0.00000e+00', '-3.51706e-04', '0.00000e+00', '3.82192e+04', '1.25728e-09', '3.82192e+04'], 'SSAgreement': 'error'}
[------------------------------------------------- ] 16 61.54 % 26 10
True ur19_40x_ALL_thrs4.30A_clust21-000001_AA.pdb {'AnalyzeGeometry': 29.0323, 'eSCORE': 1.37924, 'FARNA': ['-24.753', '-6.872', '-21.828', '-94.922', '-17.115', '-237.237', '42.505', '56.994', '-15.539', '-299.293', '0.0', '0.0', '19.473', '0.0'], 'ClashScore': 133.802817, 'length': 62, 'SimRNA_0': ['0', '-456.613404', '-190.230', '-59.268', '2.287', '-268.670528', '-32.417', '-54.859', '-37.204', '-23.620', '-120.571', '', '-456.613404'], 'FARNA_hires': ['0.0', '-279.228', '-1.348', '0.0', '2.229', '12.116', '-281.666', '11.798', '-164.458', '0.743', '-82.79', '29.444', '0.0', '187.355', '7.35'], 'RNAscore': 17.8263, 'RASP': ['1.6555', '719', '0.0023025', '5.00568', '2.67801', '-1.25099', '-4963.75', '42939', '-0.1156', '-4799.03', '44.5156', '-3.70013', '-11750', '99138', '-0.118521', '-11139.8', '80.6474', '-7.56582', '-30500.7', '347363', '-0.0878064', '0', '0', '0'], 'RNAkb': ['9.15083e+03', '1.21975e+04', '6.14167e+03', '2.63994e+01', '0.00000e+00', '0.00000e+00', '-1.02336e-04', '0.00000e+00', '2.75164e+04', '1.06671e-09', '2.75164e+04'], 'RNAkb_all': ['9.15083e+03', '1.21975e+04', '6.14167e+03', '2.63994e+01', '0.00000e+00', '0.00000e+00', '-3.82581e-04', '0.00000e+00', '2.75164e+04', '1.06671e-09', '2.75164e+04'], 'SSAgreement': 'error'}
[---------------------------------------------------- ] 17 65.38 % 26 10
True ur19_40x_ALL_thrs4.30A_clust19-000001_AA.pdb {'AnalyzeGeometry': 27.4194, 'eSCORE': 1.28939, 'FARNA': ['-25.675', '-8.399', '-16.81', '-90.401', '-13.895', '-242.157', '35.347', '57.858', '-10.216', '-296.065', '0.0', '0.0', '18.284', '0.0'], 'ClashScore': 164.98994, 'length': 62, 'SimRNA_0': ['0', '-469.711970', '-192.325', '-39.397', '-0.975', '-276.411862', '-35.242', '-53.139', '-35.970', '-25.819', '-126.242', '', '-469.711970'], 'FARNA_hires': ['0.0', '-339.704', '-2.05', '0.0', '2.089', '8.806', '-296.191', '9.627', '-156.517', '1.982', '-91.342', '17.554', '-4.436', '159.772', '11.003'], 'RNAscore': 18.0356, 'RASP': ['2.044', '732', '0.00279235', '8.7164', '3.31092', '-2.01527', '-5222.46', '43067', '-0.121264', '-4992.34', '38.3122', '-6.00644', '-11651.9', '100369', '-0.116091', '-10834.2', '72.6721', '-11.2527', '-27870.9', '349929', '-0.0796472', '0', '0', '0'], 'RNAkb': ['2.75173e+04', '1.14717e+04', '6.05129e+03', '2.26978e+01', '0.00000e+00', '0.00000e+00', '-5.60365e-04', '0.00000e+00', '4.50630e+04', '1.48773e-09', '4.50630e+04'], 'RNAkb_all': ['2.75173e+04', '1.14717e+04', '6.05129e+03', '2.26978e+01', '0.00000e+00', '0.00000e+00', '-4.43838e-04', '0.00000e+00', '4.50630e+04', '1.48773e-09', '4.50630e+04'], 'SSAgreement': 'error'}
[------------------------------------------------------- ] 18 69.23 % 26 10
True ur19_40x_ALL_thrs4.30A_clust23-000001_AA.pdb {'AnalyzeGeometry': 30.6452, 'eSCORE': 1.29887, 'FARNA': ['-27.314', '-5.418', '-21.6', '-103.67', '-16.897', '-228.397', '44.33', '59.87', '-7.703', '-287.467', '0.0', '0.0', '19.333', '0.0'], 'ClashScore': 152.108434, 'length': 62, 'SimRNA_0': ['0', '-463.653499', '-206.089', '-35.347', '-0.752', '-256.812062', '-28.792', '-52.098', '-36.307', '-26.732', '-112.883', '', '-463.653499'], 'FARNA_hires': ['0.0', '-344.85', '-2.172', '0.0', '2.92', '13.642', '-318.479', '12.272', '-156.496', '0.654', '-89.002', '16.195', '-3.251', '167.795', '11.074'], 'RNAscore': 17.7398, 'RASP': ['1.7101', '718', '0.00238175', '9.5093', '4.09553', '-1.90432', '-5081.67', '43899', '-0.115758', '-4807.91', '49.1844', '-5.56612', '-11355.4', '99309', '-0.114344', '-10435.9', '94.4481', '-9.7346', '-26415.1', '342589', '-0.0771045', '0', '0', '0'], 'RNAkb': ['9.71252e+03', '1.24661e+04', '6.11865e+03', '2.72752e+01', '0.00000e+00', '0.00000e+00', '-3.19844e-04', '0.00000e+00', '2.83245e+04', '1.05273e-09', '2.83245e+04'], 'RNAkb_all': ['9.71252e+03', '1.24661e+04', '6.11865e+03', '2.72752e+01', '0.00000e+00', '0.00000e+00', '-3.94048e-04', '0.00000e+00', '2.83245e+04', '1.05273e-09', '2.83245e+04'], 'SSAgreement': 'error'}
[---------------------------------------------------------- ] 19 73.08 % 26 10
True ur19_40x_ALL_thrs4.30A_clust18-000001_AA.pdb {'AnalyzeGeometry': 19.3548, 'eSCORE': 1.32068, 'FARNA': ['-26.666', '-14.956', '-18.615', '-105.332', '-14.598', '-237.744', '45.682', '40.058', '-11.38', '-325.885', '0.0', '0.0', '17.666', '0.0'], 'ClashScore': 165.912519, 'length': 62, 'SimRNA_0': ['0', '-481.063078', '-193.584', '-55.790', '-0.601', '-286.877293', '-33.997', '-53.222', '-37.590', '-28.328', '-133.741', '', '-481.063078'], 'FARNA_hires': ['0.0', '-352.688', '-0.545', '0.0', '2.035', '6.608', '-317.504', '15.935', '-163.812', '5.962', '-91.595', '18.387', '-11.999', '177.857', '5.984'], 'RNAscore': 17.9579, 'RASP': ['-3.0701', '771', '-0.00398197', '6.49842', '3.20747', '-2.9832', '-5454.92', '46924', '-0.11625', '-5112.74', '41.1738', '-8.31056', '-12570.3', '108926', '-0.115402', '-11496.5', '78.3196', '-13.7103', '-28636.5', '377297', '-0.0758992', '0', '0', '0'], 'RNAkb': ['8.59909e+03', '1.15002e+04', '5.98883e+03', '1.25817e+01', '0.00000e+00', '0.00000e+00', '7.86827e-05', '0.00000e+00', '2.61007e+04', '1.03673e-09', '2.61007e+04'], 'RNAkb_all': ['8.59909e+03', '1.15002e+04', '5.98883e+03', '1.25817e+01', '0.00000e+00', '0.00000e+00', '-3.54304e-04', '0.00000e+00', '2.61007e+04', '1.03673e-09', '2.61007e+04'], 'SSAgreement': 'error'}
[------------------------------------------------------------- ] 20 76.92 % 26 10
True ur19_40x_ALL_thrs4.30A_clust16-000001_AA.pdb {'AnalyzeGeometry': 29.0323, 'eSCORE': 1.30331, 'FARNA': ['-26.475', '-4.076', '-20.908', '-102.537', '-17.971', '-247.899', '56.406', '93.793', '-21.653', '-276.595', '0.0', '0.0', '14.725', '0.0'], 'ClashScore': 249.122807, 'length': 62, 'SimRNA_0': ['0', '-401.646190', '-136.741', '26.865', '2.582', '-267.486885', '-28.064', '-53.471', '-30.113', '-28.624', '-127.214', '', '-401.646190'], 'FARNA_hires': ['0.0', '-308.496', '-1.599', '0.0', '2.812', '7.081', '-258.002', '13.814', '-155.417', '2.359', '-96.061', '22.648', '-6.689', '151.856', '8.703'], 'RNAscore': 19.6944, 'RASP': ['-2.1741', '852', '-0.00255176', '9.00207', '3.80934', '-2.93388', '-5071.94', '50501', '-0.100432', '-4789.53', '41.8042', '-6.75551', '-10759.5', '117793', '-0.0913426', '-9819.42', '86.6481', '-10.8496', '-26625.3', '411911', '-0.0646384', '0', '0', '0'], 'RNAkb': ['9.89917e+03', '1.14000e+04', '6.15786e+03', '4.10752e+01', '0.00000e+00', '0.00000e+00', '2.61700e-04', '0.00000e+00', '2.74981e+04', '1.05114e-09', '2.74981e+04'], 'RNAkb_all': ['9.89917e+03', '1.14000e+04', '6.15786e+03', '4.10752e+01', '0.00000e+00', '0.00000e+00', '-4.79098e-04', '0.00000e+00', '2.74981e+04', '1.05114e-09', '2.74981e+04'], 'SSAgreement': 'error'}
[---------------------------------------------------------------- ] 21 80.77 % 26 10
True ur19_40x_ALL_thrs4.30A_clust14-000001_AA.pdb {'AnalyzeGeometry': 22.5806, 'eSCORE': 1.29991, 'FARNA': ['-24.341', '-0.239', '-19.527', '-89.517', '-15.7', '-220.451', '27.378', '56.572', '-20.803', '-290.382', '0.0', '0.0', '16.247', '0.0'], 'ClashScore': 172.951232, 'length': 62, 'SimRNA_0': ['0', '-473.831089', '-207.554', '-36.812', '-1.526', '-264.751488', '-28.858', '-52.482', '-32.169', '-21.152', '-130.091', '', '-473.831089'], 'FARNA_hires': ['0.0', '-242.683', '-2.34', '0.0', '2.454', '10.603', '-171.727', '14.437', '-145.823', '2.688', '-93.644', '14.453', '-18.304', '132.64', '11.881'], 'RNAscore': 18.2329, 'RASP': ['-4.9986', '751', '-0.00665593', '5.56787', '4.07777', '-2.59124', '-5252.22', '45557', '-0.115289', '-4895.47', '38.6163', '-9.23847', '-11747.6', '103989', '-0.11297', '-10580.2', '79.7923', '-14.6309', '-27637', '361510', '-0.0764487', '0', '0', '0'], 'RNAkb': ['2.71719e+04', '1.07781e+04', '5.97974e+03', '1.39260e+01', '0.00000e+00', '0.00000e+00', '-7.81544e-05', '0.00000e+00', '4.39437e+04', '1.46748e-09', '4.39437e+04'], 'RNAkb_all': ['2.71719e+04', '1.07781e+04', '5.97974e+03', '1.39260e+01', '0.00000e+00', '0.00000e+00', '-3.92230e-04', '0.00000e+00', '4.39437e+04', '1.46748e-09', '4.39437e+04'], 'SSAgreement': 'error'}
[------------------------------------------------------------------- ] 22 84.62 % 26 10
True ur19_40x_ALL_thrs4.30A_clust20-000001_AA.pdb {'AnalyzeGeometry': 29.0323, 'eSCORE': 1.36616, 'FARNA': ['-28.345', '-5.825', '-19.31', '-105.728', '-15.716', '-248.144', '64.996', '65.674', '-14.703', '-289.189', '0.0', '0.0', '17.913', '0.0'], 'ClashScore': 161.904762, 'length': 62, 'SimRNA_0': ['0', '-428.786343', '-180.596', '-28.499', '-0.133', '-248.057471', '-16.184', '-50.470', '-35.281', '-21.683', '-124.440', '', '-428.786343'], 'FARNA_hires': ['0.0', '-326.311', '-1.616', '0.0', '5.697', '8.871', '-272.214', '10.111', '-160.069', '2.457', '-89.687', '17.828', '-8.118', '150.999', '9.429'], 'RNAscore': 17.7039, 'RASP': ['-2.6824', '761', '-0.00352484', '6.71543', '3.65642', '-2.57023', '-5308.42', '45616', '-0.116372', '-4918.2', '38.1259', '-10.2349', '-11731.8', '104580', '-0.11218', '-10689.6', '80.5992', '-12.9314', '-28994.6', '365937', '-0.0792338', '0', '0', '0'], 'RNAkb': ['1.01900e+04', '1.09980e+04', '6.08187e+03', '1.49372e+01', '0.00000e+00', '0.00000e+00', '-2.31195e-04', '0.00000e+00', '2.72848e+04', '1.05672e-09', '2.72848e+04'], 'RNAkb_all': ['1.01900e+04', '1.09980e+04', '6.08187e+03', '1.49372e+01', '0.00000e+00', '0.00000e+00', '-4.16312e-04', '0.00000e+00', '2.72848e+04', '1.05672e-09', '2.72848e+04'], 'SSAgreement': 'error'}
[---------------------------------------------------------------------- ] 23 88.46 % 26 10
True ur19_40x_ALL_thrs4.30A_clust22-000001_AA.pdb {'AnalyzeGeometry': 27.4194, 'eSCORE': 1.41059, 'FARNA': ['-26.486', '-2.882', '-20.818', '-103.264', '-18.963', '-234.084', '17.171', '63.97', '-13.723', '-321.077', '0.0', '0.0', '18.002', '0.0'], 'ClashScore': 183.049147, 'length': 62, 'SimRNA_0': ['0', '-474.028898', '-230.314', '-58.499', '-0.626', '-243.088759', '-22.404', '-55.093', '-33.066', '-17.624', '-114.902', '', '-474.028898'], 'FARNA_hires': ['0.0', '-201.773', '-0.155', '0.0', '2.218', '8.969', '-102.122', '30.113', '-127.847', '6.485', '-100.13', '14.546', '-70.686', '125.478', '11.357'], 'RNAscore': 17.2999, 'RASP': ['2.9254', '643', '0.00454961', '9.82462', '3.79044', '-1.82016', '-4521.83', '39169', '-0.115444', '-4338.06', '41.1012', '-4.47109', '-10544.6', '89559', '-0.117739', '-9845.21', '92.1356', '-7.59049', '-28364', '307352', '-0.0922851', '0', '0', '0'], 'RNAkb': ['1.91825e+04', '1.37141e+04', '5.93406e+03', '2.28972e+01', '0.00000e+00', '0.00000e+00', '-7.28438e-04', '0.00000e+00', '3.88535e+04', '1.28330e-09', '3.88535e+04'], 'RNAkb_all': ['1.91825e+04', '1.37141e+04', '5.93406e+03', '2.28972e+01', '0.00000e+00', '0.00000e+00', '-3.68045e-04', '0.00000e+00', '3.88535e+04', '1.28330e-09', '3.88535e+04'], 'SSAgreement': 'error'}
[------------------------------------------------------------------------- ] 24 92.31 % 26 10
True ur19_40x_ALL_thrs4.30A_clust25-000001_AA.pdb {'AnalyzeGeometry': 17.7419, 'eSCORE': 1.31127, 'FARNA': ['-25.341', '-4.31', '-23.196', '-98.524', '-18.353', '-230.1', '46.721', '66.579', '-17.217', '-285.12', '0.0', '0.0', '18.621', '0.0'], 'ClashScore': 157.55143, 'length': 62, 'SimRNA_0': ['0', '-469.293836', '-209.393', '-43.582', '0.614', '-260.515494', '-22.954', '-53.966', '-36.331', '-26.648', '-120.616', '', '-469.293836'], 'FARNA_hires': ['0.0', '-354.863', '-0.38', '0.0', '1.849', '7.121', '-309.238', '12.123', '-155.21', '4.48', '-92.594', '15.146', '-4.568', '156.377', '10.031'], 'RNAscore': 17.7317, 'RASP': ['0.0855', '745', '0.000114765', '5.87778', '2.77506', '-2.08726', '-5245.1', '44532', '-0.117783', '-4935.02', '40.7113', '-7.61659', '-12445.4', '102404', '-0.121532', '-11326.4', '75.3686', '-14.8468', '-29403', '356505', '-0.0824757', '0', '0', '0'], 'RNAkb': ['1.02466e+04', '1.29750e+04', '5.96609e+03', '3.07197e+01', '0.00000e+00', '0.00000e+00', '-2.44165e-04', '0.00000e+00', '2.92185e+04', '1.06556e-09', '2.92185e+04'], 'RNAkb_all': ['1.02466e+04', '1.29750e+04', '5.96609e+03', '3.07197e+01', '0.00000e+00', '0.00000e+00', '-3.86857e-04', '0.00000e+00', '2.92185e+04', '1.06556e-09', '2.92185e+04'], 'SSAgreement': 'error'}
[---------------------------------------------------------------------------- ] 25 96.15 % 26 10
True ur19_40x_ALL_thrs4.30A_clust24-000001_AA.pdb {'AnalyzeGeometry': 14.5161, 'eSCORE': 1.28804, 'FARNA': ['-26.348', '-1.215', '-23.126', '-87.489', '-19.285', '-240.09', '64.932', '80.721', '-13.654', '-248.972', '0.0', '0.0', '16.582', '0.0'], 'ClashScore': 188.347564, 'length': 62, 'SimRNA_0': ['0', '-406.997495', '-178.401', '-44.165', '1.910', '-230.506182', '-9.078', '-52.557', '-29.481', '-20.362', '-119.028', '', '-406.997495'], 'FARNA_hires': ['0.0', '-360.379', '-1.997', '0.0', '4.175', '7.489', '-296.945', '11.94', '-157.955', '6.384', '-93.368', '14.002', '-8.965', '148.109', '6.752'], 'RNAscore': 18.0667, 'RASP': ['7.5674', '764', '0.00990497', '10.8545', '3.2478', '-1.0121', '-5063.48', '46047', '-0.109963', '-4818.26', '36.2705', '-6.76071', '-11159.5', '106309', '-0.104972', '-10331.1', '75.3074', '-11.0001', '-28881.6', '372717', '-0.0774895', '0', '0', '0'], 'RNAkb': ['1.11129e+04', '1.06929e+04', '5.92029e+03', '1.58455e+01', '0.00000e+00', '0.00000e+00', '2.56310e-04', '0.00000e+00', '2.77419e+04', '1.07417e-09', '2.77419e+04'], 'RNAkb_all': ['1.11129e+04', '1.06929e+04', '5.92029e+03', '1.58455e+01', '0.00000e+00', '0.00000e+00', '-4.01416e-04', '0.00000e+00', '2.77419e+04', '1.07417e-09', '2.77419e+04'], 'SSAgreement': 'error'}
[--------------------------------------------------------------------------------] 26 100.0 % 26 10
True ur19_40x_ALL_thrs4.30A_clust26-000001_AA.pdb {'AnalyzeGeometry': 25.8065, 'eSCORE': 1.25753, 'FARNA': ['-27.789', '-4.656', '-24.871', '-115.251', '-19.999', '-251.68', '13.681', '34.491', '-30.666', '-409.404', '0.0', '0.0', '17.336', '0.0'], 'ClashScore': 183.375315, 'length': 62, 'SimRNA_0': ['0', '-440.865953', '-182.198', '5.043', '-0.307', '-258.361024', '-33.859', '-50.129', '-33.048', '-26.247', '-115.078', '', '-440.865953'], 'FARNA_hires': ['0.0', '-167.299', '-0.798', '0.0', '2.808', '11.598', '-62.362', '23.747', '-124.98', '4.664', '-103.13', '14.351', '-68.269', '120.155', '14.916'], 'RNAscore': 18.8959, 'RASP': ['3.0721', '689', '0.00445878', '11.6889', '3.63405', '-2.37113', '-4848.5', '41351', '-0.117252', '-4614.29', '46.4349', '-5.04394', '-10786.2', '95326', '-0.11315', '-9897.88', '97.6204', '-9.09957', '-24824.7', '329301', '-0.075386', '0', '0', '0'], 'RNAkb': ['2.64561e+04', '1.39494e+04', '6.08690e+03', '2.26530e+01', '0.00000e+00', '0.00000e+00', '-5.50222e-04', '0.00000e+00', '4.65151e+04', '1.47165e-09', '4.65151e+04'], 'RNAkb_all': ['2.64561e+04', '1.39494e+04', '6.08690e+03', '2.26530e+01', '0.00000e+00', '0.00000e+00', '-4.07904e-04', '0.00000e+00', '4.65151e+04', '1.47165e-09', '4.65151e+04'], 'SSAgreement': 'error'}
Cmd: mqaprna.py -s /home/mqapRNA/mqapRNAweb/media/jobs/5cd59296-184c-4c07-ae85-11609ea383e2/ss.txt -m 6 -f -o /home/mqapRNA/mqapRNAweb/media/jobs/5cd59296-184c-4c07-ae85-11609ea383e2/5cd5929_raw.csv input/ur19_40x_ALL_thrs4.30A_clust01-000001_AA.pdb input/ur19_40x_ALL_thrs4.30A_clust02-000001_AA.pdb input/ur19_40x_ALL_thrs4.30A_clust03-000001_AA.pdb input/ur19_40x_ALL_thrs4.30A_clust04-000001_AA.pdb input/ur19_40x_ALL_thrs4.30A_clust05-000001_AA.pdb input/ur19_40x_ALL_thrs4.30A_clust06-000001_AA.pdb input/ur19_40x_ALL_thrs4.30A_clust07-000001_AA.pdb input/ur19_40x_ALL_thrs4.30A_clust08-000001_AA.pdb input/ur19_40x_ALL_thrs4.30A_clust09-000001_AA.pdb input/ur19_40x_ALL_thrs4.30A_clust10-000001_AA.pdb input/ur19_40x_ALL_thrs4.30A_clust11-000001_AA.pdb input/ur19_40x_ALL_thrs4.30A_clust12-000001_AA.pdb input/ur19_40x_ALL_thrs4.30A_clust13-000001_AA.pdb input/ur19_40x_ALL_thrs4.30A_clust14-000001_AA.pdb input/ur19_40x_ALL_thrs4.30A_clust15-000001_AA.pdb input/ur19_40x_ALL_thrs4.30A_clust16-000001_AA.pdb input/ur19_40x_ALL_thrs4.30A_clust17-000001_AA.pdb input/ur19_40x_ALL_thrs4.30A_clust18-000001_AA.pdb input/ur19_40x_ALL_thrs4.30A_clust19-000001_AA.pdb input/ur19_40x_ALL_thrs4.30A_clust20-000001_AA.pdb input/ur19_40x_ALL_thrs4.30A_clust21-000001_AA.pdb input/ur19_40x_ALL_thrs4.30A_clust22-000001_AA.pdb input/ur19_40x_ALL_thrs4.30A_clust23-000001_AA.pdb input/ur19_40x_ALL_thrs4.30A_clust24-000001_AA.pdb input/ur19_40x_ALL_thrs4.30A_clust25-000001_AA.pdb input/ur19_40x_ALL_thrs4.30A_clust26-000001_AA.pdb
Execution time: 0:22:21.434 process: 6 start: 12:10:15 end: 12:32:37
Output: /home/mqapRNA/mqapRNAweb/media/jobs/5cd59296-184c-4c07-ae85-11609ea383e2/5cd5929_raw.csv
logging: /home/mqapRNA/mqapRNAweb/media/jobs/5cd59296-184c-4c07-ae85-11609ea383e2/5cd5929_raw.log
logging wrappers /home/mqapRNA/mqaprna_env/log/
in: /home/mqapRNA/mqapRNAweb/media/jobs/5cd59296-184c-4c07-ae85-11609ea383e2/5cd5929_raw.csv
model_key: grid-8a6dfea4-1f6e-4354-9396-f727a5bd937a_model_14
Checking whether there is an H2O instance running at http://localhost:54321..... not found.
Attempting to start a local H2O server...
Java Version: java version "1.8.0_131"; Java(TM) SE Runtime Environment (build 1.8.0_131-b11); Java HotSpot(TM) 64-Bit Server VM (build 25.131-b11, mixed mode)
Starting server from /usr/local/lib/python2.7/dist-packages/h2o/backend/bin/h2o.jar
Ice root: /tmp/tmpD2SvrT
JVM stdout: /tmp/tmpD2SvrT/h2o_magnus_started_from_python.out
JVM stderr: /tmp/tmpD2SvrT/h2o_magnus_started_from_python.err
Server is running at http://127.0.0.1:54321
Connecting to H2O server at http://127.0.0.1:54321... successful.
Warning: Your H2O cluster version is too old (7 months and 13 days)! Please download and install the latest version from http://h2o.ai/download/
-------------------------- ------------------------------
H2O cluster uptime: 03 secs
H2O cluster version: 3.10.4.5
H2O cluster version age: 7 months and 13 days !!!
H2O cluster name: H2O_from_python_magnus_czu0rm
H2O cluster total nodes: 1
H2O cluster free memory: 1.742 Gb
H2O cluster total cores: 8
H2O cluster allowed cores: 8
H2O cluster status: accepting new members, healthy
H2O connection url: http://127.0.0.1:54321
H2O connection proxy:
H2O internal security: False
Python version: 2.7.6 final
-------------------------- ------------------------------
Parse progress: [#########################################################] 100%
fn clash_score analyze_geometry farna_rna_base_axis farna_rna_backbone_backbone farna_rna_base_stack_axis farna_rna_base_stagger farna_rna_base_stack farna_rna_base_pair farna_rna_repulsive farna_rna_vdw farna_rna_base_backbone farna_score_lowres farna_rna_data_backbone farna_linear_chainbreak farna_rna_rg farna_atom_pair_constraint simrna_steps simrna_total_energy simrna_base_base simrna_short_stacking simrna_base_backbone simrna_local_geometry simrna_bonds_dist_cp simrna_bonds_dist_pc simrna_flat_angles_cpc simrna_flat_angles_pcp simrna_tors_eta_theta simrna_sphere_penalty simrna_chain_energy x3rnascore escore rnakb_bond rnakb_angle rnakb_proper_dih rnakb_improper_dih rnakb_lj14 rnakb_coulomb14 rnakb_lj_sr rnakb_coulomb_sr rnakb_potential rnakb_kinetic_en rnakb_total_energy ss_disagreement farna_atom_pair_constraint_hires farna_score_hires farna_hbond_sr_bb_sc farna_linear_chainbreak_hires farna_fa_intra_rep farna_rna_sugar_close farna_hbond_sc farna_lk_nonpolar farna_fa_atr farna_fa_elec_rna_phos_phos farna_ch_bond farna_fa_rep farna_hbond_lr_bb_sc farna_geom_sol farna_rna_torsion rasp_c3_pdb_energy rasp_c3_no_contacts rasp_c3_norm_energy rasp_c3_mean_energy rasp_c3_sd_energy rasp_c3_zscore rasp_bb_pdb_energy rasp_bb_no_contacts rasp_bb_norm_energy rasp_bb_mean_energy rasp_bb_sd_energy rasp_bb_zscore rasp_bbr_pdb_energy rasp_bbr_no_contacts rasp_bbr_norm_energy rasp_bbr_mean_energy rasp_bbr_sd_energy rasp_bbr_zscore rasp_all_pdb_energy rasp_all_no_contacts rasp_all_norm_energy rasp_all_mean_energy rasp_all_sd_energy rasp_all_zscore rnakb_bond_all rnakb_angle_all rnakb_proper_dih_all rnakb_improper_dih_all rnakb_lj14_all rnakb_coulomb14_all rnakb_lj_sr_all rnakb_coulomb_sr_all rnakb_potential_all rnakb_kinetic_en_all rnakb_total_energy_all
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ur19_40x_ALL_thrs4.30A_clust09-000001_AA.pdb 134.238 32.2581 -28.84 -5.541 -19.665 -115.81 -16.938 -266.63 32.584 71.103 -15.753 -348.602 0 0 16.888 0 0 -473.478 -222.046 -26.101 -1.316 -250.117 -28.629 -47.716 -35.806 -22.231 -115.735 nan -473.478 17.8469 1.35734 22666.5 11648.7 6115 20.6286 0 0 -0.000201572 0 40450.8 1.35338e-09 40450.8 error 0 -330.069 -0.646 0 1.75 10.894 -317.923 11.755 -154.21 2.898 -82.468 29.361 -20.009 176.841 11.687 3.5386 678 0.00521917 8.13282 3.56967 -1.28701 -4742.05 40814 -0.116187 -4617.29 39.489 -3.15952 -11288.5 93907 -0.120209 -10568.7 82.2011 -8.7558 -28208.5 324135 -0.087027 0 0 0 22666.5 11648.7 6115 20.6286 0 0 -0.000527187 0 40450.8 1.35338e-09 40450.8
ur19_40x_ALL_thrs4.30A_clust01-000001_AA.pdb 162.814 29.0323 -28.07 -2.392 -27.082 -104.117 -22.065 -245.737 29.612 60.341 -16.218 -337.517 0 0 18.211 0 0 -480.821 -220.454 -54.262 -0.56 -259.806 -28.09 -48.732 -32.686 -24.638 -125.661 nan -480.821 17.6595 1.35038 27822.4 13321.6 6150 28.6061 0 0 -0.000678365 0 47322.6 1.4872e-09 47322.6 error 0 -355.851 -1.778 0 1.938 8.079 -329.003 11.757 -156.379 1.607 -90 21.114 -4.634 170.731 10.717 -4.3031 728 -0.00591085 6.0531 3.40914 -3.03777 -5363.76 44094 -0.121644 -5030.78 37.6725 -8.8389 -11835 101337 -0.116788 -10823.3 74.4432 -13.5895 -28341.1 353135 -0.0802557 0 0 0 27822.4 13321.6 6150 28.6061 0 0 -0.000449227 0 47322.6 1.4872e-09 47322.6
ur19_40x_ALL_thrs4.30A_clust07-000001_AA.pdb 165.829 40.3226 -27.025 -5.858 -21.261 -102.735 -17.995 -241.693 35.67 66.589 -16.124 -311.861 0 0 18.571 0 0 -423.095 -165.982 10.439 -1.569 -255.544 -25.37 -53.138 -37.403 -24.84 -114.794 nan -423.095 18.3308 1.23289 18676.3 13218.4 6271.67 38.1774 0 0 -0.000337417 0 38204.6 1.28265e-09 38204.6 error 0 -337.428 -1.479 0 3.713 10.414 -316.766 12.565 -146.067 3.557 -85.967 15.101 -4.391 162.321 9.572 0.975 736 0.00132473 7.50169 3.53896 -1.84424 -5197.26 44311 -0.11729 -4881.57 44.9111 -7.02908 -12022.7 102015 -0.117852 -11034.7 76.3334 -12.9427 -27090.1 355632 -0.0761745 0 0 0 18676.3 13218.4 6271.67 38.1774 0 0 -0.000362705 0 38204.6 1.28265e-09 38204.6
ur19_40x_ALL_thrs4.30A_clust11-000001_AA.pdb 168.173 29.0323 -25.657 -2.418 -21.083 -97.868 -18.035 -235.774 36.503 61.138 -21.922 -308.071 0 0 17.044 0 0 -493.588 -216.572 -39.328 -1.059 -275.958 -32.119 -53.052 -31.53 -27.758 -131.498 nan -493.588 18.9449 1.34259 27447.1 13062.7 5956.94 17.5027 0 0 -0.00069092 0 46484.2 1.49468e-09 46484.2 error 0 -357.05 -2.33 0 2.373 8.148 -308.272 12.566 -165.174 1.621 -92.618 23.052 -4.647 160.678 7.554 -0.4784 737 -0.000649118 4.99965 4.35299 -1.25846 -5449.14 45261 -0.120394 -5255.3 45.5442 -4.25623 -12431.7 103096 -0.120583 -11671.8 81.0084 -9.38009 -28714.9 374237 -0.0767293 0 0 0 27447.1 13062.7 5956.94 17.5027 0 0 -0.000300925 0 46484.2 1.49468e-09 46484.2
ur19_40x_ALL_thrs4.30A_clust03-000001_AA.pdb 173.782 40.3226 -28.69 -5.227 -19.673 -106.324 -16.703 -249.558 26.894 74.742 -21.647 -329.893 0 0 16.291 0 0 -421.336 -193.071 -17.869 -0.271 -227.994 -26.495 -53.554 -30.83 -25.922 -91.193 nan -421.336 18.3761 1.32422 16313.2 13457.1 6258.67 32.5722 0 0 1.58072e-05 0 36061.5 1.2273e-09 36061.5 error 0 -226.889 -1.476 0 3.331 11.428 -157.796 15.159 -143.986 2.07 -99.152 17.612 -13.849 130.173 9.596 1.0236 747 0.00137028 7.14909 3.96985 -1.543 -4628.56 45588 -0.10153 -4373.15 43.4824 -5.87396 -10379.1 104394 -0.0994228 -9509.74 84.0203 -10.3476 -26266.8 354217 -0.0741546 0 0 0 16313.2 13457.1 6258.67 32.5722 0 0 -0.000440899 0 36061.5 1.2273e-09 36061.5
ur19_40x_ALL_thrs4.30A_clust10-000001_AA.pdb 142.283 40.3226 -27.829 -1.591 -19.911 -105.451 -16.107 -235.869 37.39 47.391 -10.429 -314.662 0 0 17.746 0 0 -456.536 -199.439 -27.736 -0.529 -256.567 -31.081 -48.772 -37.517 -28.255 -110.942 nan -456.536 18.4173 1.30421 28569.3 11787.3 6165.84 25.3766 0 0 -0.000368106 0 46547.9 1.49094e-09 46547.9 error 0 -359.337 -1.182 0 1.835 7.856 -336.367 10.394 -157.932 3.055 -91.745 31.116 -8.437 171.76 10.311 -2.3767 684 -0.00347471 7.5916 3.48394 -2.86122 -5055.38 42069 -0.120169 -4819.81 38.1756 -6.17085 -11545.8 96482 -0.119668 -10702.8 74.9558 -11.2476 -27469.5 334512 -0.0821182 0 0 0 28569.3 11787.3 6165.84 25.3766 0 0 -0.000514482 0 46547.9 1.49094e-09 46547.9
ur19_40x_ALL_thrs4.30A_clust05-000001_AA.pdb 143.936 33.871 -24.03 -0.681 -23.521 -106.669 -20.17 -251.288 10.327 29.953 -23.864 -391.575 0 0 18.367 0 0 -444.94 -192.078 -35.036 1.177 -254.039 -29.925 -51.072 -34.796 -25.689 -112.558 nan -444.94 17.9565 1.39316 24946.9 13033.5 6096.61 38.2533 0 0 -0.000490407 0 44115.3 1.42131e-09 44115.3 error 0 -351.129 -0.318 0 2.239 6.141 -307.812 11.036 -152.489 5.447 -90.772 17.003 0 146.982 11.414 -2.4152 673 -0.00358871 6.05896 3.29971 -2.56815 -5134.39 40796 -0.125855 -4879.64 42.834 -5.94736 -11684.8 93683 -0.124727 -10826.7 80.7049 -10.6329 -28617.5 324713 -0.0881317 0 0 0 24946.9 13033.5 6096.61 38.2533 0 0 -0.000388644 0 44115.3 1.42131e-09 44115.3
ur19_40x_ALL_thrs4.30A_clust02-000001_AA.pdb 163.655 25.8065 -28.143 -8.251 -26.973 -113.012 -22.069 -249.846 33.116 60.111 -23.031 -363.114 0 0 14.984 0 0 -444.869 -193.316 -6.101 1.157 -252.71 -23.049 -49.219 -33.727 -19.059 -127.656 nan -444.869 18.76 1.3358 12657.3 13124.1 6055.62 18.7267 0 0 -0.000331993 0 31855.7 1.11795e-09 31855.7 error 0 -309.949 -2 0 3.002 8.883 -291.202 11.412 -157.629 2.574 -81.822 25.792 -5.05 167.551 8.539 1.3514 780 0.00173256 8.22883 3.63722 -1.89085 -4710.32 47275 -0.0996365 -4477.13 45.0742 -5.17348 -10749.1 109036 -0.0985834 -9900.45 75.9695 -11.1715 -26604 378182 -0.070347 0 0 0 12657.3 13124.1 6055.62 18.7267 0 0 -0.000336301 0 31855.7 1.11795e-09 31855.7
ur19_40x_ALL_thrs4.30A_clust04-000001_AA.pdb 184.012 27.4194 -30.411 -9.583 -23.413 -119.527 -19.945 -266.226 30.244 74.581 -28.235 -375.021 0 0 17.493 0 0 -487.653 -235.031 -62.472 -0.019 -252.603 -32.615 -52.937 -33.742 -28.021 -105.288 nan -487.653 18.3501 1.3276 22730.3 14747.8 6292.39 36.5921 0 0 -7.04533e-05 0 43807 1.35861e-09 43807 error 0 -251.872 -2.219 0 1.989 9.122 -237.858 14.33 -151.716 1.394 -87.667 31.413 -1.688 159.447 11.582 2.4388 761 0.00320473 7.15662 3.72364 -1.26699 -5099.22 45003 -0.113309 -4857.86 41.9067 -5.75965 -11119.9 104830 -0.106076 -10387.1 87.8 -8.3468 -27147.5 361332 -0.0751319 0 0 0 22730.3 14747.8 6292.39 36.5921 0 0 -0.000416516 0 43807 1.35861e-09 43807
ur19_40x_ALL_thrs4.30A_clust08-000001_AA.pdb 195.881 33.871 -25.259 -6.401 -17.496 -93.071 -13.874 -238.19 45.586 53.475 -22.731 -301.099 0 0 16.863 0 0 -461.671 -203.285 -47.905 -3.52 -254.866 -29.997 -53.353 -36.71 -22.403 -112.403 nan -461.671 18.6307 1.24343 9848.08 13348.5 6185.49 24.129 0 0 -0.000441022 0 29406.2 1.05747e-09 29406.2 error 0 -338.965 -2.054 0 2.471 16.16 -298.47 13.08 -155.939 0.443 -91.184 13.424 -13.811 165.234 11.681 -1.3173 744 -0.00177056 7.65336 3.82096 -2.34775 -4782.65 45497 -0.10512 -4571.63 43.6852 -4.83042 -10702.1 104746 -0.102172 -9808.62 84.5755 -10.5644 -26040.4 365609 -0.0712248 0 0 0 9848.08 13348.5 6185.49 24.129 0 0 -0.000414102 0 29406.2 1.05747e-09 29406.2
[26 rows x 94 columns]
deeplearning prediction progress: [#######################################] 100%
deeplearning prediction progress: [#######################################] 100%
mqapRNA
---------
1.339
1.08704
1.26757
0.924519
1.01189
1.14654
1.05369
1.03689
1.11483
0.808258
[26 rows x 1 column]
fn
--------------------------------------------
ur19_40x_ALL_thrs4.30A_clust09-000001_AA.pdb
ur19_40x_ALL_thrs4.30A_clust01-000001_AA.pdb
ur19_40x_ALL_thrs4.30A_clust07-000001_AA.pdb
ur19_40x_ALL_thrs4.30A_clust11-000001_AA.pdb
ur19_40x_ALL_thrs4.30A_clust03-000001_AA.pdb
ur19_40x_ALL_thrs4.30A_clust10-000001_AA.pdb
ur19_40x_ALL_thrs4.30A_clust05-000001_AA.pdb
ur19_40x_ALL_thrs4.30A_clust02-000001_AA.pdb
ur19_40x_ALL_thrs4.30A_clust04-000001_AA.pdb
ur19_40x_ALL_thrs4.30A_clust08-000001_AA.pdb
[10 rows x 1 column]
Exporting to /home/mqapRNA/mqapRNAweb/media/jobs/5cd59296-184c-4c07-ae85-11609ea383e2/5cd5929_raw_mqapRNA.csv
Export File progress: [###################################################] 100%
clash_score analyze_geometry \
fn
ur19_40x_ALL_thrs4.30A_clust08-000001_AA.pdb 195.88 33.87
ur19_40x_ALL_thrs4.30A_clust14-000001_AA.pdb 172.95 22.58
ur19_40x_ALL_thrs4.30A_clust11-000001_AA.pdb 168.17 29.03
ur19_40x_ALL_thrs4.30A_clust16-000001_AA.pdb 249.12 29.03
ur19_40x_ALL_thrs4.30A_clust19-000001_AA.pdb 164.99 27.42
ur19_40x_ALL_thrs4.30A_clust03-000001_AA.pdb 173.78 40.32
ur19_40x_ALL_thrs4.30A_clust02-000001_AA.pdb 163.65 25.81
ur19_40x_ALL_thrs4.30A_clust05-000001_AA.pdb 143.94 33.87
ur19_40x_ALL_thrs4.30A_clust17-000001_AA.pdb 163.49 33.87
ur19_40x_ALL_thrs4.30A_clust01-000001_AA.pdb 162.81 29.03
ur19_40x_ALL_thrs4.30A_clust04-000001_AA.pdb 184.01 27.42
ur19_40x_ALL_thrs4.30A_clust25-000001_AA.pdb 157.55 17.74
ur19_40x_ALL_thrs4.30A_clust10-000001_AA.pdb 142.28 40.32
ur19_40x_ALL_thrs4.30A_clust15-000001_AA.pdb 145.15 30.65
ur19_40x_ALL_thrs4.30A_clust18-000001_AA.pdb 165.91 19.35
ur19_40x_ALL_thrs4.30A_clust12-000001_AA.pdb 177.24 16.13
ur19_40x_ALL_thrs4.30A_clust20-000001_AA.pdb 161.90 29.03
ur19_40x_ALL_thrs4.30A_clust06-000001_AA.pdb 115.46 24.19
ur19_40x_ALL_thrs4.30A_clust07-000001_AA.pdb 165.83 40.32
ur19_40x_ALL_thrs4.30A_clust24-000001_AA.pdb 188.35 14.52
ur19_40x_ALL_thrs4.30A_clust09-000001_AA.pdb 134.24 32.26
ur19_40x_ALL_thrs4.30A_clust21-000001_AA.pdb 133.80 29.03
ur19_40x_ALL_thrs4.30A_clust23-000001_AA.pdb 152.11 30.65
ur19_40x_ALL_thrs4.30A_clust22-000001_AA.pdb 183.05 27.42
ur19_40x_ALL_thrs4.30A_clust26-000001_AA.pdb 183.38 25.81
ur19_40x_ALL_thrs4.30A_clust13-000001_AA.pdb 127.32 35.48
farna_rna_base_axis \
fn
ur19_40x_ALL_thrs4.30A_clust08-000001_AA.pdb -25.26
ur19_40x_ALL_thrs4.30A_clust14-000001_AA.pdb -24.34
ur19_40x_ALL_thrs4.30A_clust11-000001_AA.pdb -25.66
ur19_40x_ALL_thrs4.30A_clust16-000001_AA.pdb -26.48
ur19_40x_ALL_thrs4.30A_clust19-000001_AA.pdb -25.68
ur19_40x_ALL_thrs4.30A_clust03-000001_AA.pdb -28.69
ur19_40x_ALL_thrs4.30A_clust02-000001_AA.pdb -28.14
ur19_40x_ALL_thrs4.30A_clust05-000001_AA.pdb -24.03
ur19_40x_ALL_thrs4.30A_clust17-000001_AA.pdb -27.82
ur19_40x_ALL_thrs4.30A_clust01-000001_AA.pdb -28.07
ur19_40x_ALL_thrs4.30A_clust04-000001_AA.pdb -30.41
ur19_40x_ALL_thrs4.30A_clust25-000001_AA.pdb -25.34
ur19_40x_ALL_thrs4.30A_clust10-000001_AA.pdb -27.83
ur19_40x_ALL_thrs4.30A_clust15-000001_AA.pdb -29.03
ur19_40x_ALL_thrs4.30A_clust18-000001_AA.pdb -26.67
ur19_40x_ALL_thrs4.30A_clust12-000001_AA.pdb -27.38
ur19_40x_ALL_thrs4.30A_clust20-000001_AA.pdb -28.34
ur19_40x_ALL_thrs4.30A_clust06-000001_AA.pdb -26.95
ur19_40x_ALL_thrs4.30A_clust07-000001_AA.pdb -27.02
ur19_40x_ALL_thrs4.30A_clust24-000001_AA.pdb -26.35
ur19_40x_ALL_thrs4.30A_clust09-000001_AA.pdb -28.84
ur19_40x_ALL_thrs4.30A_clust21-000001_AA.pdb -24.75
ur19_40x_ALL_thrs4.30A_clust23-000001_AA.pdb -27.31
ur19_40x_ALL_thrs4.30A_clust22-000001_AA.pdb -26.49
ur19_40x_ALL_thrs4.30A_clust26-000001_AA.pdb -27.79
ur19_40x_ALL_thrs4.30A_clust13-000001_AA.pdb -29.08
farna_rna_backbone_backbone \
fn
ur19_40x_ALL_thrs4.30A_clust08-000001_AA.pdb -6.40
ur19_40x_ALL_thrs4.30A_clust14-000001_AA.pdb -0.24
ur19_40x_ALL_thrs4.30A_clust11-000001_AA.pdb -2.42
ur19_40x_ALL_thrs4.30A_clust16-000001_AA.pdb -4.08
ur19_40x_ALL_thrs4.30A_clust19-000001_AA.pdb -8.40
ur19_40x_ALL_thrs4.30A_clust03-000001_AA.pdb -5.23
ur19_40x_ALL_thrs4.30A_clust02-000001_AA.pdb -8.25
ur19_40x_ALL_thrs4.30A_clust05-000001_AA.pdb -0.68
ur19_40x_ALL_thrs4.30A_clust17-000001_AA.pdb -5.76
ur19_40x_ALL_thrs4.30A_clust01-000001_AA.pdb -2.39
ur19_40x_ALL_thrs4.30A_clust04-000001_AA.pdb -9.58
ur19_40x_ALL_thrs4.30A_clust25-000001_AA.pdb -4.31
ur19_40x_ALL_thrs4.30A_clust10-000001_AA.pdb -1.59
ur19_40x_ALL_thrs4.30A_clust15-000001_AA.pdb -0.05
ur19_40x_ALL_thrs4.30A_clust18-000001_AA.pdb -14.96
ur19_40x_ALL_thrs4.30A_clust12-000001_AA.pdb -13.25
ur19_40x_ALL_thrs4.30A_clust20-000001_AA.pdb -5.82
ur19_40x_ALL_thrs4.30A_clust06-000001_AA.pdb -9.04
ur19_40x_ALL_thrs4.30A_clust07-000001_AA.pdb -5.86
ur19_40x_ALL_thrs4.30A_clust24-000001_AA.pdb -1.22
ur19_40x_ALL_thrs4.30A_clust09-000001_AA.pdb -5.54
ur19_40x_ALL_thrs4.30A_clust21-000001_AA.pdb -6.87
ur19_40x_ALL_thrs4.30A_clust23-000001_AA.pdb -5.42
ur19_40x_ALL_thrs4.30A_clust22-000001_AA.pdb -2.88
ur19_40x_ALL_thrs4.30A_clust26-000001_AA.pdb -4.66
ur19_40x_ALL_thrs4.30A_clust13-000001_AA.pdb -20.36
farna_rna_base_stack_axis \
fn
ur19_40x_ALL_thrs4.30A_clust08-000001_AA.pdb -17.50
ur19_40x_ALL_thrs4.30A_clust14-000001_AA.pdb -19.53
ur19_40x_ALL_thrs4.30A_clust11-000001_AA.pdb -21.08
ur19_40x_ALL_thrs4.30A_clust16-000001_AA.pdb -20.91
ur19_40x_ALL_thrs4.30A_clust19-000001_AA.pdb -16.81
ur19_40x_ALL_thrs4.30A_clust03-000001_AA.pdb -19.67
ur19_40x_ALL_thrs4.30A_clust02-000001_AA.pdb -26.97
ur19_40x_ALL_thrs4.30A_clust05-000001_AA.pdb -23.52
ur19_40x_ALL_thrs4.30A_clust17-000001_AA.pdb -23.56
ur19_40x_ALL_thrs4.30A_clust01-000001_AA.pdb -27.08
ur19_40x_ALL_thrs4.30A_clust04-000001_AA.pdb -23.41
ur19_40x_ALL_thrs4.30A_clust25-000001_AA.pdb -23.20
ur19_40x_ALL_thrs4.30A_clust10-000001_AA.pdb -19.91
ur19_40x_ALL_thrs4.30A_clust15-000001_AA.pdb -18.80
ur19_40x_ALL_thrs4.30A_clust18-000001_AA.pdb -18.61
ur19_40x_ALL_thrs4.30A_clust12-000001_AA.pdb -19.64
ur19_40x_ALL_thrs4.30A_clust20-000001_AA.pdb -19.31
ur19_40x_ALL_thrs4.30A_clust06-000001_AA.pdb -15.63
ur19_40x_ALL_thrs4.30A_clust07-000001_AA.pdb -21.26
ur19_40x_ALL_thrs4.30A_clust24-000001_AA.pdb -23.13
ur19_40x_ALL_thrs4.30A_clust09-000001_AA.pdb -19.66
ur19_40x_ALL_thrs4.30A_clust21-000001_AA.pdb -21.83
ur19_40x_ALL_thrs4.30A_clust23-000001_AA.pdb -21.60
ur19_40x_ALL_thrs4.30A_clust22-000001_AA.pdb -20.82
ur19_40x_ALL_thrs4.30A_clust26-000001_AA.pdb -24.87
ur19_40x_ALL_thrs4.30A_clust13-000001_AA.pdb -27.45
farna_rna_base_stagger \
fn
ur19_40x_ALL_thrs4.30A_clust08-000001_AA.pdb -93.07
ur19_40x_ALL_thrs4.30A_clust14-000001_AA.pdb -89.52
ur19_40x_ALL_thrs4.30A_clust11-000001_AA.pdb -97.87
ur19_40x_ALL_thrs4.30A_clust16-000001_AA.pdb -102.54
ur19_40x_ALL_thrs4.30A_clust19-000001_AA.pdb -90.40
ur19_40x_ALL_thrs4.30A_clust03-000001_AA.pdb -106.32
ur19_40x_ALL_thrs4.30A_clust02-000001_AA.pdb -113.01
ur19_40x_ALL_thrs4.30A_clust05-000001_AA.pdb -106.67
ur19_40x_ALL_thrs4.30A_clust17-000001_AA.pdb -107.84
ur19_40x_ALL_thrs4.30A_clust01-000001_AA.pdb -104.12
ur19_40x_ALL_thrs4.30A_clust04-000001_AA.pdb -119.53
ur19_40x_ALL_thrs4.30A_clust25-000001_AA.pdb -98.52
ur19_40x_ALL_thrs4.30A_clust10-000001_AA.pdb -105.45
ur19_40x_ALL_thrs4.30A_clust15-000001_AA.pdb -104.43
ur19_40x_ALL_thrs4.30A_clust18-000001_AA.pdb -105.33
ur19_40x_ALL_thrs4.30A_clust12-000001_AA.pdb -107.99
ur19_40x_ALL_thrs4.30A_clust20-000001_AA.pdb -105.73
ur19_40x_ALL_thrs4.30A_clust06-000001_AA.pdb -103.98
ur19_40x_ALL_thrs4.30A_clust07-000001_AA.pdb -102.74
ur19_40x_ALL_thrs4.30A_clust24-000001_AA.pdb -87.49
ur19_40x_ALL_thrs4.30A_clust09-000001_AA.pdb -115.81
ur19_40x_ALL_thrs4.30A_clust21-000001_AA.pdb -94.92
ur19_40x_ALL_thrs4.30A_clust23-000001_AA.pdb -103.67
ur19_40x_ALL_thrs4.30A_clust22-000001_AA.pdb -103.26
ur19_40x_ALL_thrs4.30A_clust26-000001_AA.pdb -115.25
ur19_40x_ALL_thrs4.30A_clust13-000001_AA.pdb -114.32
farna_rna_base_stack \
fn
ur19_40x_ALL_thrs4.30A_clust08-000001_AA.pdb -13.87
ur19_40x_ALL_thrs4.30A_clust14-000001_AA.pdb -15.70
ur19_40x_ALL_thrs4.30A_clust11-000001_AA.pdb -18.04
ur19_40x_ALL_thrs4.30A_clust16-000001_AA.pdb -17.97
ur19_40x_ALL_thrs4.30A_clust19-000001_AA.pdb -13.90
ur19_40x_ALL_thrs4.30A_clust03-000001_AA.pdb -16.70
ur19_40x_ALL_thrs4.30A_clust02-000001_AA.pdb -22.07
ur19_40x_ALL_thrs4.30A_clust05-000001_AA.pdb -20.17
ur19_40x_ALL_thrs4.30A_clust17-000001_AA.pdb -18.20
ur19_40x_ALL_thrs4.30A_clust01-000001_AA.pdb -22.06
ur19_40x_ALL_thrs4.30A_clust04-000001_AA.pdb -19.94
ur19_40x_ALL_thrs4.30A_clust25-000001_AA.pdb -18.35
ur19_40x_ALL_thrs4.30A_clust10-000001_AA.pdb -16.11
ur19_40x_ALL_thrs4.30A_clust15-000001_AA.pdb -14.92
ur19_40x_ALL_thrs4.30A_clust18-000001_AA.pdb -14.60
ur19_40x_ALL_thrs4.30A_clust12-000001_AA.pdb -16.41
ur19_40x_ALL_thrs4.30A_clust20-000001_AA.pdb -15.72
ur19_40x_ALL_thrs4.30A_clust06-000001_AA.pdb -12.92
ur19_40x_ALL_thrs4.30A_clust07-000001_AA.pdb -18.00
ur19_40x_ALL_thrs4.30A_clust24-000001_AA.pdb -19.28
ur19_40x_ALL_thrs4.30A_clust09-000001_AA.pdb -16.94
ur19_40x_ALL_thrs4.30A_clust21-000001_AA.pdb -17.12
ur19_40x_ALL_thrs4.30A_clust23-000001_AA.pdb -16.90
ur19_40x_ALL_thrs4.30A_clust22-000001_AA.pdb -18.96
ur19_40x_ALL_thrs4.30A_clust26-000001_AA.pdb -20.00
ur19_40x_ALL_thrs4.30A_clust13-000001_AA.pdb -21.51
farna_rna_base_pair \
fn
ur19_40x_ALL_thrs4.30A_clust08-000001_AA.pdb -238.19
ur19_40x_ALL_thrs4.30A_clust14-000001_AA.pdb -220.45
ur19_40x_ALL_thrs4.30A_clust11-000001_AA.pdb -235.77
ur19_40x_ALL_thrs4.30A_clust16-000001_AA.pdb -247.90
ur19_40x_ALL_thrs4.30A_clust19-000001_AA.pdb -242.16
ur19_40x_ALL_thrs4.30A_clust03-000001_AA.pdb -249.56
ur19_40x_ALL_thrs4.30A_clust02-000001_AA.pdb -249.85
ur19_40x_ALL_thrs4.30A_clust05-000001_AA.pdb -251.29
ur19_40x_ALL_thrs4.30A_clust17-000001_AA.pdb -238.01
ur19_40x_ALL_thrs4.30A_clust01-000001_AA.pdb -245.74
ur19_40x_ALL_thrs4.30A_clust04-000001_AA.pdb -266.23
ur19_40x_ALL_thrs4.30A_clust25-000001_AA.pdb -230.10
ur19_40x_ALL_thrs4.30A_clust10-000001_AA.pdb -235.87
ur19_40x_ALL_thrs4.30A_clust15-000001_AA.pdb -245.26
ur19_40x_ALL_thrs4.30A_clust18-000001_AA.pdb -237.74
ur19_40x_ALL_thrs4.30A_clust12-000001_AA.pdb -254.31
ur19_40x_ALL_thrs4.30A_clust20-000001_AA.pdb -248.14
ur19_40x_ALL_thrs4.30A_clust06-000001_AA.pdb -231.32
ur19_40x_ALL_thrs4.30A_clust07-000001_AA.pdb -241.69
ur19_40x_ALL_thrs4.30A_clust24-000001_AA.pdb -240.09
ur19_40x_ALL_thrs4.30A_clust09-000001_AA.pdb -266.63
ur19_40x_ALL_thrs4.30A_clust21-000001_AA.pdb -237.24
ur19_40x_ALL_thrs4.30A_clust23-000001_AA.pdb -228.40
ur19_40x_ALL_thrs4.30A_clust22-000001_AA.pdb -234.08
ur19_40x_ALL_thrs4.30A_clust26-000001_AA.pdb -251.68
ur19_40x_ALL_thrs4.30A_clust13-000001_AA.pdb -256.11
farna_rna_repulsive \
fn
ur19_40x_ALL_thrs4.30A_clust08-000001_AA.pdb 45.59
ur19_40x_ALL_thrs4.30A_clust14-000001_AA.pdb 27.38
ur19_40x_ALL_thrs4.30A_clust11-000001_AA.pdb 36.50
ur19_40x_ALL_thrs4.30A_clust16-000001_AA.pdb 56.41
ur19_40x_ALL_thrs4.30A_clust19-000001_AA.pdb 35.35
ur19_40x_ALL_thrs4.30A_clust03-000001_AA.pdb 26.89
ur19_40x_ALL_thrs4.30A_clust02-000001_AA.pdb 33.12
ur19_40x_ALL_thrs4.30A_clust05-000001_AA.pdb 10.33
ur19_40x_ALL_thrs4.30A_clust17-000001_AA.pdb 38.52
ur19_40x_ALL_thrs4.30A_clust01-000001_AA.pdb 29.61
ur19_40x_ALL_thrs4.30A_clust04-000001_AA.pdb 30.24
ur19_40x_ALL_thrs4.30A_clust25-000001_AA.pdb 46.72
ur19_40x_ALL_thrs4.30A_clust10-000001_AA.pdb 37.39
ur19_40x_ALL_thrs4.30A_clust15-000001_AA.pdb 33.94
ur19_40x_ALL_thrs4.30A_clust18-000001_AA.pdb 45.68
ur19_40x_ALL_thrs4.30A_clust12-000001_AA.pdb 40.97
ur19_40x_ALL_thrs4.30A_clust20-000001_AA.pdb 65.00
ur19_40x_ALL_thrs4.30A_clust06-000001_AA.pdb 29.38
ur19_40x_ALL_thrs4.30A_clust07-000001_AA.pdb 35.67
ur19_40x_ALL_thrs4.30A_clust24-000001_AA.pdb 64.93
ur19_40x_ALL_thrs4.30A_clust09-000001_AA.pdb 32.58
ur19_40x_ALL_thrs4.30A_clust21-000001_AA.pdb 42.50
ur19_40x_ALL_thrs4.30A_clust23-000001_AA.pdb 44.33
ur19_40x_ALL_thrs4.30A_clust22-000001_AA.pdb 17.17
ur19_40x_ALL_thrs4.30A_clust26-000001_AA.pdb 13.68
ur19_40x_ALL_thrs4.30A_clust13-000001_AA.pdb 18.64
farna_rna_vdw ... \
fn ...
ur19_40x_ALL_thrs4.30A_clust08-000001_AA.pdb 53.48 ...
ur19_40x_ALL_thrs4.30A_clust14-000001_AA.pdb 56.57 ...
ur19_40x_ALL_thrs4.30A_clust11-000001_AA.pdb 61.14 ...
ur19_40x_ALL_thrs4.30A_clust16-000001_AA.pdb 93.79 ...
ur19_40x_ALL_thrs4.30A_clust19-000001_AA.pdb 57.86 ...
ur19_40x_ALL_thrs4.30A_clust03-000001_AA.pdb 74.74 ...
ur19_40x_ALL_thrs4.30A_clust02-000001_AA.pdb 60.11 ...
ur19_40x_ALL_thrs4.30A_clust05-000001_AA.pdb 29.95 ...
ur19_40x_ALL_thrs4.30A_clust17-000001_AA.pdb 56.28 ...
ur19_40x_ALL_thrs4.30A_clust01-000001_AA.pdb 60.34 ...
ur19_40x_ALL_thrs4.30A_clust04-000001_AA.pdb 74.58 ...
ur19_40x_ALL_thrs4.30A_clust25-000001_AA.pdb 66.58 ...
ur19_40x_ALL_thrs4.30A_clust10-000001_AA.pdb 47.39 ...
ur19_40x_ALL_thrs4.30A_clust15-000001_AA.pdb 52.20 ...
ur19_40x_ALL_thrs4.30A_clust18-000001_AA.pdb 40.06 ...
ur19_40x_ALL_thrs4.30A_clust12-000001_AA.pdb 77.43 ...
ur19_40x_ALL_thrs4.30A_clust20-000001_AA.pdb 65.67 ...
ur19_40x_ALL_thrs4.30A_clust06-000001_AA.pdb 31.16 ...
ur19_40x_ALL_thrs4.30A_clust07-000001_AA.pdb 66.59 ...
ur19_40x_ALL_thrs4.30A_clust24-000001_AA.pdb 80.72 ...
ur19_40x_ALL_thrs4.30A_clust09-000001_AA.pdb 71.10 ...
ur19_40x_ALL_thrs4.30A_clust21-000001_AA.pdb 56.99 ...
ur19_40x_ALL_thrs4.30A_clust23-000001_AA.pdb 59.87 ...
ur19_40x_ALL_thrs4.30A_clust22-000001_AA.pdb 63.97 ...
ur19_40x_ALL_thrs4.30A_clust26-000001_AA.pdb 34.49 ...
ur19_40x_ALL_thrs4.30A_clust13-000001_AA.pdb 23.97 ...
rnakb_proper_dih_all \
fn
ur19_40x_ALL_thrs4.30A_clust08-000001_AA.pdb 6185.49
ur19_40x_ALL_thrs4.30A_clust14-000001_AA.pdb 5979.74
ur19_40x_ALL_thrs4.30A_clust11-000001_AA.pdb 5956.94
ur19_40x_ALL_thrs4.30A_clust16-000001_AA.pdb 6157.86
ur19_40x_ALL_thrs4.30A_clust19-000001_AA.pdb 6051.29
ur19_40x_ALL_thrs4.30A_clust03-000001_AA.pdb 6258.67
ur19_40x_ALL_thrs4.30A_clust02-000001_AA.pdb 6055.62
ur19_40x_ALL_thrs4.30A_clust05-000001_AA.pdb 6096.61
ur19_40x_ALL_thrs4.30A_clust17-000001_AA.pdb 6080.17
ur19_40x_ALL_thrs4.30A_clust01-000001_AA.pdb 6150.00
ur19_40x_ALL_thrs4.30A_clust04-000001_AA.pdb 6292.39
ur19_40x_ALL_thrs4.30A_clust25-000001_AA.pdb 5966.09
ur19_40x_ALL_thrs4.30A_clust10-000001_AA.pdb 6165.84
ur19_40x_ALL_thrs4.30A_clust15-000001_AA.pdb 6199.22
ur19_40x_ALL_thrs4.30A_clust18-000001_AA.pdb 5988.83
ur19_40x_ALL_thrs4.30A_clust12-000001_AA.pdb 5900.22
ur19_40x_ALL_thrs4.30A_clust20-000001_AA.pdb 6081.87
ur19_40x_ALL_thrs4.30A_clust06-000001_AA.pdb 5991.33
ur19_40x_ALL_thrs4.30A_clust07-000001_AA.pdb 6271.67
ur19_40x_ALL_thrs4.30A_clust24-000001_AA.pdb 5920.29
ur19_40x_ALL_thrs4.30A_clust09-000001_AA.pdb 6115.00
ur19_40x_ALL_thrs4.30A_clust21-000001_AA.pdb 6141.67
ur19_40x_ALL_thrs4.30A_clust23-000001_AA.pdb 6118.65
ur19_40x_ALL_thrs4.30A_clust22-000001_AA.pdb 5934.06
ur19_40x_ALL_thrs4.30A_clust26-000001_AA.pdb 6086.90
ur19_40x_ALL_thrs4.30A_clust13-000001_AA.pdb 6122.93
rnakb_improper_dih_all \
fn
ur19_40x_ALL_thrs4.30A_clust08-000001_AA.pdb 24.13
ur19_40x_ALL_thrs4.30A_clust14-000001_AA.pdb 13.93
ur19_40x_ALL_thrs4.30A_clust11-000001_AA.pdb 17.50
ur19_40x_ALL_thrs4.30A_clust16-000001_AA.pdb 41.08
ur19_40x_ALL_thrs4.30A_clust19-000001_AA.pdb 22.70
ur19_40x_ALL_thrs4.30A_clust03-000001_AA.pdb 32.57
ur19_40x_ALL_thrs4.30A_clust02-000001_AA.pdb 18.73
ur19_40x_ALL_thrs4.30A_clust05-000001_AA.pdb 38.25
ur19_40x_ALL_thrs4.30A_clust17-000001_AA.pdb 17.52
ur19_40x_ALL_thrs4.30A_clust01-000001_AA.pdb 28.61
ur19_40x_ALL_thrs4.30A_clust04-000001_AA.pdb 36.59
ur19_40x_ALL_thrs4.30A_clust25-000001_AA.pdb 30.72
ur19_40x_ALL_thrs4.30A_clust10-000001_AA.pdb 25.38
ur19_40x_ALL_thrs4.30A_clust15-000001_AA.pdb 21.32
ur19_40x_ALL_thrs4.30A_clust18-000001_AA.pdb 12.58
ur19_40x_ALL_thrs4.30A_clust12-000001_AA.pdb 23.16
ur19_40x_ALL_thrs4.30A_clust20-000001_AA.pdb 14.94
ur19_40x_ALL_thrs4.30A_clust06-000001_AA.pdb 16.36
ur19_40x_ALL_thrs4.30A_clust07-000001_AA.pdb 38.18
ur19_40x_ALL_thrs4.30A_clust24-000001_AA.pdb 15.85
ur19_40x_ALL_thrs4.30A_clust09-000001_AA.pdb 20.63
ur19_40x_ALL_thrs4.30A_clust21-000001_AA.pdb 26.40
ur19_40x_ALL_thrs4.30A_clust23-000001_AA.pdb 27.28
ur19_40x_ALL_thrs4.30A_clust22-000001_AA.pdb 22.90
ur19_40x_ALL_thrs4.30A_clust26-000001_AA.pdb 22.65
ur19_40x_ALL_thrs4.30A_clust13-000001_AA.pdb 28.83
rnakb_lj14_all \
fn
ur19_40x_ALL_thrs4.30A_clust08-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust14-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust11-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust16-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust19-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust03-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust02-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust05-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust17-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust01-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust04-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust25-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust10-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust15-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust18-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust12-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust20-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust06-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust07-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust24-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust09-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust21-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust23-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust22-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust26-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust13-000001_AA.pdb 0
rnakb_coulomb14_all \
fn
ur19_40x_ALL_thrs4.30A_clust08-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust14-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust11-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust16-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust19-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust03-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust02-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust05-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust17-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust01-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust04-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust25-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust10-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust15-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust18-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust12-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust20-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust06-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust07-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust24-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust09-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust21-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust23-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust22-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust26-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust13-000001_AA.pdb 0
rnakb_lj_sr_all \
fn
ur19_40x_ALL_thrs4.30A_clust08-000001_AA.pdb -0.0
ur19_40x_ALL_thrs4.30A_clust14-000001_AA.pdb -0.0
ur19_40x_ALL_thrs4.30A_clust11-000001_AA.pdb -0.0
ur19_40x_ALL_thrs4.30A_clust16-000001_AA.pdb -0.0
ur19_40x_ALL_thrs4.30A_clust19-000001_AA.pdb -0.0
ur19_40x_ALL_thrs4.30A_clust03-000001_AA.pdb -0.0
ur19_40x_ALL_thrs4.30A_clust02-000001_AA.pdb -0.0
ur19_40x_ALL_thrs4.30A_clust05-000001_AA.pdb -0.0
ur19_40x_ALL_thrs4.30A_clust17-000001_AA.pdb -0.0
ur19_40x_ALL_thrs4.30A_clust01-000001_AA.pdb -0.0
ur19_40x_ALL_thrs4.30A_clust04-000001_AA.pdb -0.0
ur19_40x_ALL_thrs4.30A_clust25-000001_AA.pdb -0.0
ur19_40x_ALL_thrs4.30A_clust10-000001_AA.pdb -0.0
ur19_40x_ALL_thrs4.30A_clust15-000001_AA.pdb -0.0
ur19_40x_ALL_thrs4.30A_clust18-000001_AA.pdb -0.0
ur19_40x_ALL_thrs4.30A_clust12-000001_AA.pdb -0.0
ur19_40x_ALL_thrs4.30A_clust20-000001_AA.pdb -0.0
ur19_40x_ALL_thrs4.30A_clust06-000001_AA.pdb -0.0
ur19_40x_ALL_thrs4.30A_clust07-000001_AA.pdb -0.0
ur19_40x_ALL_thrs4.30A_clust24-000001_AA.pdb -0.0
ur19_40x_ALL_thrs4.30A_clust09-000001_AA.pdb -0.0
ur19_40x_ALL_thrs4.30A_clust21-000001_AA.pdb -0.0
ur19_40x_ALL_thrs4.30A_clust23-000001_AA.pdb -0.0
ur19_40x_ALL_thrs4.30A_clust22-000001_AA.pdb -0.0
ur19_40x_ALL_thrs4.30A_clust26-000001_AA.pdb -0.0
ur19_40x_ALL_thrs4.30A_clust13-000001_AA.pdb -0.0
rnakb_coulomb_sr_all \
fn
ur19_40x_ALL_thrs4.30A_clust08-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust14-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust11-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust16-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust19-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust03-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust02-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust05-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust17-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust01-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust04-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust25-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust10-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust15-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust18-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust12-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust20-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust06-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust07-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust24-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust09-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust21-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust23-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust22-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust26-000001_AA.pdb 0
ur19_40x_ALL_thrs4.30A_clust13-000001_AA.pdb 0
rnakb_potential_all \
fn
ur19_40x_ALL_thrs4.30A_clust08-000001_AA.pdb 29406.2
ur19_40x_ALL_thrs4.30A_clust14-000001_AA.pdb 43943.7
ur19_40x_ALL_thrs4.30A_clust11-000001_AA.pdb 46484.2
ur19_40x_ALL_thrs4.30A_clust16-000001_AA.pdb 27498.1
ur19_40x_ALL_thrs4.30A_clust19-000001_AA.pdb 45063.0
ur19_40x_ALL_thrs4.30A_clust03-000001_AA.pdb 36061.5
ur19_40x_ALL_thrs4.30A_clust02-000001_AA.pdb 31855.7
ur19_40x_ALL_thrs4.30A_clust05-000001_AA.pdb 44115.3
ur19_40x_ALL_thrs4.30A_clust17-000001_AA.pdb 43565.5
ur19_40x_ALL_thrs4.30A_clust01-000001_AA.pdb 47322.6
ur19_40x_ALL_thrs4.30A_clust04-000001_AA.pdb 43807.0
ur19_40x_ALL_thrs4.30A_clust25-000001_AA.pdb 29218.5
ur19_40x_ALL_thrs4.30A_clust10-000001_AA.pdb 46547.9
ur19_40x_ALL_thrs4.30A_clust15-000001_AA.pdb 51237.4
ur19_40x_ALL_thrs4.30A_clust18-000001_AA.pdb 26100.7
ur19_40x_ALL_thrs4.30A_clust12-000001_AA.pdb 42413.2
ur19_40x_ALL_thrs4.30A_clust20-000001_AA.pdb 27284.8
ur19_40x_ALL_thrs4.30A_clust06-000001_AA.pdb 33282.7
ur19_40x_ALL_thrs4.30A_clust07-000001_AA.pdb 38204.6
ur19_40x_ALL_thrs4.30A_clust24-000001_AA.pdb 27741.9
ur19_40x_ALL_thrs4.30A_clust09-000001_AA.pdb 40450.8
ur19_40x_ALL_thrs4.30A_clust21-000001_AA.pdb 27516.4
ur19_40x_ALL_thrs4.30A_clust23-000001_AA.pdb 28324.5
ur19_40x_ALL_thrs4.30A_clust22-000001_AA.pdb 38853.5
ur19_40x_ALL_thrs4.30A_clust26-000001_AA.pdb 46515.1
ur19_40x_ALL_thrs4.30A_clust13-000001_AA.pdb 38219.2
rnakb_kinetic_en_all \
fn
ur19_40x_ALL_thrs4.30A_clust08-000001_AA.pdb 0.0
ur19_40x_ALL_thrs4.30A_clust14-000001_AA.pdb 0.0
ur19_40x_ALL_thrs4.30A_clust11-000001_AA.pdb 0.0
ur19_40x_ALL_thrs4.30A_clust16-000001_AA.pdb 0.0
ur19_40x_ALL_thrs4.30A_clust19-000001_AA.pdb 0.0
ur19_40x_ALL_thrs4.30A_clust03-000001_AA.pdb 0.0
ur19_40x_ALL_thrs4.30A_clust02-000001_AA.pdb 0.0
ur19_40x_ALL_thrs4.30A_clust05-000001_AA.pdb 0.0
ur19_40x_ALL_thrs4.30A_clust17-000001_AA.pdb 0.0
ur19_40x_ALL_thrs4.30A_clust01-000001_AA.pdb 0.0
ur19_40x_ALL_thrs4.30A_clust04-000001_AA.pdb 0.0
ur19_40x_ALL_thrs4.30A_clust25-000001_AA.pdb 0.0
ur19_40x_ALL_thrs4.30A_clust10-000001_AA.pdb 0.0
ur19_40x_ALL_thrs4.30A_clust15-000001_AA.pdb 0.0
ur19_40x_ALL_thrs4.30A_clust18-000001_AA.pdb 0.0
ur19_40x_ALL_thrs4.30A_clust12-000001_AA.pdb 0.0
ur19_40x_ALL_thrs4.30A_clust20-000001_AA.pdb 0.0
ur19_40x_ALL_thrs4.30A_clust06-000001_AA.pdb 0.0
ur19_40x_ALL_thrs4.30A_clust07-000001_AA.pdb 0.0
ur19_40x_ALL_thrs4.30A_clust24-000001_AA.pdb 0.0
ur19_40x_ALL_thrs4.30A_clust09-000001_AA.pdb 0.0
ur19_40x_ALL_thrs4.30A_clust21-000001_AA.pdb 0.0
ur19_40x_ALL_thrs4.30A_clust23-000001_AA.pdb 0.0
ur19_40x_ALL_thrs4.30A_clust22-000001_AA.pdb 0.0
ur19_40x_ALL_thrs4.30A_clust26-000001_AA.pdb 0.0
ur19_40x_ALL_thrs4.30A_clust13-000001_AA.pdb 0.0
rnakb_total_energy_all mqapRNA
fn
ur19_40x_ALL_thrs4.30A_clust08-000001_AA.pdb 29406.2 0.81
ur19_40x_ALL_thrs4.30A_clust14-000001_AA.pdb 43943.7 0.82
ur19_40x_ALL_thrs4.30A_clust11-000001_AA.pdb 46484.2 0.92
ur19_40x_ALL_thrs4.30A_clust16-000001_AA.pdb 27498.1 0.95
ur19_40x_ALL_thrs4.30A_clust19-000001_AA.pdb 45063.0 1.00
ur19_40x_ALL_thrs4.30A_clust03-000001_AA.pdb 36061.5 1.01
ur19_40x_ALL_thrs4.30A_clust02-000001_AA.pdb 31855.7 1.04
ur19_40x_ALL_thrs4.30A_clust05-000001_AA.pdb 44115.3 1.05
ur19_40x_ALL_thrs4.30A_clust17-000001_AA.pdb 43565.5 1.06
ur19_40x_ALL_thrs4.30A_clust01-000001_AA.pdb 47322.6 1.09
ur19_40x_ALL_thrs4.30A_clust04-000001_AA.pdb 43807.0 1.11
ur19_40x_ALL_thrs4.30A_clust25-000001_AA.pdb 29218.5 1.12
ur19_40x_ALL_thrs4.30A_clust10-000001_AA.pdb 46547.9 1.15
ur19_40x_ALL_thrs4.30A_clust15-000001_AA.pdb 51237.4 1.15
ur19_40x_ALL_thrs4.30A_clust18-000001_AA.pdb 26100.7 1.19
ur19_40x_ALL_thrs4.30A_clust12-000001_AA.pdb 42413.2 1.19
ur19_40x_ALL_thrs4.30A_clust20-000001_AA.pdb 27284.8 1.20
ur19_40x_ALL_thrs4.30A_clust06-000001_AA.pdb 33282.7 1.24
ur19_40x_ALL_thrs4.30A_clust07-000001_AA.pdb 38204.6 1.27
ur19_40x_ALL_thrs4.30A_clust24-000001_AA.pdb 27741.9 1.33
ur19_40x_ALL_thrs4.30A_clust09-000001_AA.pdb 40450.8 1.34
ur19_40x_ALL_thrs4.30A_clust21-000001_AA.pdb 27516.4 1.34
ur19_40x_ALL_thrs4.30A_clust23-000001_AA.pdb 28324.5 1.41
ur19_40x_ALL_thrs4.30A_clust22-000001_AA.pdb 38853.5 1.46
ur19_40x_ALL_thrs4.30A_clust26-000001_AA.pdb 46515.1 1.54
ur19_40x_ALL_thrs4.30A_clust13-000001_AA.pdb 38219.2 1.70
[26 rows x 94 columns]
mqapRNA
fn
ur19_40x_ALL_thrs4.30A_clust08-000001_AA.pdb 0.81
ur19_40x_ALL_thrs4.30A_clust14-000001_AA.pdb 0.82
ur19_40x_ALL_thrs4.30A_clust11-000001_AA.pdb 0.92
ur19_40x_ALL_thrs4.30A_clust16-000001_AA.pdb 0.95
ur19_40x_ALL_thrs4.30A_clust19-000001_AA.pdb 1.00
ur19_40x_ALL_thrs4.30A_clust03-000001_AA.pdb 1.01
ur19_40x_ALL_thrs4.30A_clust02-000001_AA.pdb 1.04
ur19_40x_ALL_thrs4.30A_clust05-000001_AA.pdb 1.05
ur19_40x_ALL_thrs4.30A_clust17-000001_AA.pdb 1.06
ur19_40x_ALL_thrs4.30A_clust01-000001_AA.pdb 1.09
ur19_40x_ALL_thrs4.30A_clust04-000001_AA.pdb 1.11
ur19_40x_ALL_thrs4.30A_clust25-000001_AA.pdb 1.12
ur19_40x_ALL_thrs4.30A_clust10-000001_AA.pdb 1.15
ur19_40x_ALL_thrs4.30A_clust15-000001_AA.pdb 1.15
ur19_40x_ALL_thrs4.30A_clust18-000001_AA.pdb 1.19
ur19_40x_ALL_thrs4.30A_clust12-000001_AA.pdb 1.19
ur19_40x_ALL_thrs4.30A_clust20-000001_AA.pdb 1.20
ur19_40x_ALL_thrs4.30A_clust06-000001_AA.pdb 1.24
ur19_40x_ALL_thrs4.30A_clust07-000001_AA.pdb 1.27
ur19_40x_ALL_thrs4.30A_clust24-000001_AA.pdb 1.33
ur19_40x_ALL_thrs4.30A_clust09-000001_AA.pdb 1.34
ur19_40x_ALL_thrs4.30A_clust21-000001_AA.pdb 1.34
ur19_40x_ALL_thrs4.30A_clust23-000001_AA.pdb 1.41
ur19_40x_ALL_thrs4.30A_clust22-000001_AA.pdb 1.46
ur19_40x_ALL_thrs4.30A_clust26-000001_AA.pdb 1.54
ur19_40x_ALL_thrs4.30A_clust13-000001_AA.pdb 1.70
saved /home/mqapRNA/mqapRNAweb/media/jobs/5cd59296-184c-4c07-ae85-11609ea383e2/5cd5929_mqapRNA.csv
H2O session _sid_bfea closed.