name total energy Backbone Hbon Sidechain Hbond Van der Waals Electrostatics Solvation Polar Solvation Hydrophobic Van de Waals clashes entropy side chain entropy main chain sloop_entropy mloop_entropy cis_bond torsional clash backbone clash helix dipole water bridge disulfide electrostatic Kon partial covalent bonds PEX13_1JQQ-16_1.PDB 5.95000 -45.46000 -14.07000 -75.18000 -0.04000 93.74000 -98.57000 9.05000 39.68000 96.57000 0.00000 0.00000 0.00000 3.05000 18.97000 0.00000 -3.30000 0.00000 0.48000 0.00000 0.00000 71.00000 PEX13_1JQQ-16_2.PDB 7.78000 -44.84000 -13.31000 -74.92000 -0.07000 93.40000 -98.19000 9.06000 39.07000 97.23000 0.00000 0.00000 0.00000 2.95000 19.01000 0.00000 -3.02000 0.00000 0.42000 0.00000 0.00000 71.00000 PEX13_1JQQ-16_3.PDB 5.66000 -44.09000 -12.73000 -75.79000 -0.70000 93.62000 -99.74000 9.39000 39.33000 96.90000 0.00000 0.00000 0.00000 2.28000 19.16000 0.00000 -2.93000 0.00000 0.11000 0.00000 0.00000 71.00000 PEX13_1JQQ-16_4.PDB 7.48000 -44.90000 -12.54000 -75.33000 0.39000 93.50000 -98.67000 8.30000 38.39000 97.53000 0.00000 0.00000 0.00000 2.93000 19.01000 0.00000 -2.98000 0.00000 0.85000 0.00000 0.00000 71.00000 PEX13_1JQQ-16_5.PDB 6.14000 -44.73000 -13.36000 -75.22000 -0.04000 93.43000 -98.75000 8.07000 39.06000 96.66000 0.00000 0.00000 0.00000 3.36000 19.03000 0.00000 -2.87000 0.00000 0.54000 0.00000 0.00000 71.00000 PEX13_1JQQ-16_6.PDB 6.63000 -44.07000 -14.22000 -75.47000 -0.59000 93.79000 -99.19000 9.02000 40.15000 97.72000 0.00000 0.00000 0.00000 2.15000 19.07000 0.00000 -2.70000 0.00000 0.04000 0.00000 0.00000 71.00000 PEX13_1JQQ-16_7.PDB 6.31000 -45.29000 -13.91000 -74.45000 -0.64000 92.84000 -97.65000 8.75000 39.42000 97.01000 0.00000 0.00000 0.00000 3.08000 19.02000 0.00000 -3.09000 0.00000 0.25000 0.00000 0.00000 71.00000 PEX13_1JQQ-16_8.PDB 2.26000 -45.76000 -16.08000 -75.90000 -0.67000 95.11000 -99.23000 7.11000 39.57000 98.26000 0.00000 0.00000 0.00000 2.95000 19.22000 0.00000 -3.17000 0.00000 0.07000 0.00000 0.00000 71.00000 PEX13_1JQQ-16_9.PDB 3.45000 -45.24000 -14.15000 -75.05000 0.04000 93.38000 -98.59000 6.99000 39.23000 95.98000 0.00000 0.00000 0.00000 3.00000 19.16000 0.00000 -2.72000 0.00000 0.57000 0.00000 0.00000 71.00000 PEX13_1JQQ-16_10.PDB 6.58000 -44.95000 -13.58000 -74.97000 -0.08000 93.34000 -98.45000 8.61000 39.04000 97.23000 0.00000 0.00000 0.00000 3.11000 18.92000 0.00000 -3.18000 0.00000 0.45000 0.00000 0.00000 71.00000 PEX13_1JQQ-16_11.PDB 5.00000 -44.08000 -12.70000 -75.63000 -0.62000 93.53000 -99.54000 8.69000 39.16000 96.79000 0.00000 0.00000 0.00000 2.21000 19.10000 0.00000 -2.93000 0.00000 0.12000 0.00000 0.00000 71.00000 PEX13_1JQQ-16_12.PDB 4.36000 -45.67000 -15.78000 -76.11000 -1.80000 95.08000 -99.55000 10.25000 41.12000 97.26000 0.00000 0.00000 0.00000 3.09000 18.97000 0.00000 -3.14000 0.00000 -0.40000 0.00000 0.00000 71.00000 PEX13_1JQQ-16_13.PDB 6.25000 -45.52000 -13.15000 -75.08000 0.46000 93.06000 -98.54000 9.27000 38.56000 96.52000 0.00000 0.00000 0.00000 2.93000 19.07000 0.00000 -3.09000 0.00000 0.84000 0.00000 0.00000 71.00000 PEX13_1JQQ-16_14.PDB 7.08000 -45.20000 -12.86000 -76.19000 0.66000 93.90000 -100.21000 8.15000 39.20000 97.94000 0.00000 0.00000 0.00000 3.42000 18.96000 0.00000 -2.83000 0.00000 1.08000 0.00000 0.00000 71.00000 PEX13_1JQQ-16_15.PDB 4.11000 -44.87000 -15.10000 -75.42000 -1.09000 94.20000 -98.99000 9.11000 40.42000 96.19000 0.00000 0.00000 0.00000 2.96000 18.96000 0.00000 -3.26000 0.00000 -0.04000 0.00000 0.00000 71.00000 PEX13_1JQQ-16_16.PDB 7.59000 -44.65000 -13.50000 -75.15000 -0.34000 94.44000 -98.16000 7.92000 39.18000 97.18000 0.00000 0.00000 0.00000 3.11000 19.12000 0.00000 -2.69000 0.00000 0.24000 0.00000 0.00000 71.00000 PEX13_1JQQ-16_17.PDB 7.54000 -45.53000 -14.59000 -74.53000 -0.59000 93.64000 -97.43000 8.91000 39.86000 97.39000 0.00000 0.00000 0.00000 3.14000 19.04000 0.00000 -2.84000 0.00000 0.12000 0.00000 0.00000 71.00000 PEX13_1JQQ-16_18.PDB 4.33000 -44.93000 -13.57000 -74.83000 -0.02000 93.36000 -98.20000 7.12000 38.90000 96.34000 0.00000 0.00000 0.00000 3.00000 18.96000 0.00000 -3.25000 0.00000 0.41000 0.00000 0.00000 71.00000 PEX13_1JQQ-16_19.PDB 3.61000 -45.60000 -16.34000 -75.61000 -1.24000 94.31000 -99.16000 9.16000 41.71000 97.23000 0.00000 0.00000 0.00000 2.33000 19.18000 0.00000 -3.00000 0.00000 -0.19000 0.00000 0.00000 71.00000 PEX13_1JQQ-16_20.PDB 6.14000 -44.11000 -12.83000 -75.49000 -0.63000 93.59000 -99.28000 8.46000 39.33000 97.74000 0.00000 0.00000 0.00000 2.15000 19.10000 0.00000 -2.90000 0.00000 0.08000 0.00000 0.00000 71.00000 PEX13_1JQQ-16_21.PDB 3.04000 -44.07000 -12.66000 -75.28000 -0.63000 93.41000 -99.07000 7.06000 38.96000 95.93000 0.00000 0.00000 0.00000 2.14000 19.10000 0.00000 -2.89000 0.00000 0.12000 0.00000 0.00000 71.00000 PEX13_1JQQ-16_22.PDB 5.16000 -44.94000 -15.17000 -75.78000 -1.53000 94.23000 -99.29000 9.60000 40.93000 97.55000 0.00000 0.00000 0.00000 3.08000 18.95000 0.00000 -3.12000 0.00000 -0.41000 0.00000 0.00000 71.00000 PEX13_1JQQ-16_23.PDB 7.26000 -44.97000 -14.63000 -74.85000 0.55000 93.21000 -98.32000 9.73000 39.29000 97.22000 0.00000 0.00000 0.00000 2.03000 19.03000 0.00000 -2.92000 0.00000 0.92000 0.00000 0.00000 71.00000 PEX13_1JQQ-16_24.PDB 4.58000 -45.04000 -14.81000 -75.22000 -0.03000 93.28000 -98.86000 9.60000 39.64000 96.22000 0.00000 0.00000 0.00000 2.16000 19.22000 0.00000 -2.92000 0.00000 0.56000 0.00000 0.00000 71.00000 PEX13_1JQQ-16_25.PDB 6.60000 -44.45000 -13.42000 -74.95000 -0.53000 93.85000 -98.05000 8.07000 39.17000 97.40000 0.00000 0.00000 0.00000 2.28000 19.02000 0.00000 -3.04000 0.00000 0.28000 0.00000 0.00000 71.00000 PEX13_1JQQ-16_26.PDB 3.43000 -44.35000 -14.50000 -75.45000 0.04000 94.64000 -98.63000 5.33000 40.20000 96.84000 0.00000 0.00000 0.00000 2.15000 18.95000 0.00000 -3.51000 0.00000 0.68000 0.00000 0.00000 71.00000 PEX13_1JQQ-16_27.PDB 2.82000 -45.99000 -16.21000 -76.62000 -2.14000 95.43000 -100.44000 9.83000 41.85000 97.66000 0.00000 0.00000 0.00000 3.30000 19.11000 0.00000 -3.02000 0.00000 -0.82000 0.00000 0.00000 71.00000 PEX13_1JQQ-16_28.PDB 4.26000 -46.44000 -15.81000 -75.09000 -0.79000 94.43000 -97.95000 7.32000 40.52000 97.53000 0.00000 0.00000 0.00000 3.59000 19.14000 0.00000 -3.24000 0.00000 0.18000 0.00000 0.00000 71.00000 PEX13_1JQQ-16_29.PDB 6.17000 -44.08000 -13.88000 -75.93000 -0.14000 93.97000 -99.93000 8.23000 39.74000 97.66000 0.00000 0.00000 0.00000 2.55000 19.19000 0.00000 -2.51000 0.00000 0.50000 0.00000 0.00000 71.00000 PEX13_1JQQ-16_30.PDB 2.11000 -45.50000 -14.11000 -75.29000 0.01000 93.53000 -99.00000 6.04000 39.50000 96.14000 0.00000 0.00000 0.00000 3.34000 18.99000 0.00000 -3.12000 0.00000 0.57000 0.00000 0.00000 71.00000