name Intraclash total energy Backbone Hbond 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-28_1.PDB 3.43416 -8.94000 -2.63000 -6.15000 -11.33000 -1.98000 15.84000 -13.68000 3.68000 8.08000 1.99000 0.00000 0.00000 0.00000 0.18000 1.77000 0.00000 -1.13000 0.00000 -1.82000 0.00000 2.38000 72.00000 PEX13_1JQQ-28_2.PDB 3.44145 -6.51000 -2.99000 -5.42000 -10.99000 -1.09000 15.18000 -13.19000 3.73000 8.76000 2.27000 0.00000 0.00000 0.00000 0.07000 1.68000 0.00000 -1.26000 0.00000 -1.59000 0.00000 2.38000 72.00000 PEX13_1JQQ-28_3.PDB 3.38325 -6.11000 -2.69000 -4.50000 -10.32000 -1.19000 14.06000 -12.47000 3.81000 7.31000 2.80000 0.00000 0.00000 0.00000 0.05000 1.56000 0.00000 -1.30000 0.00000 -1.66000 0.00000 2.38000 72.00000 PEX13_1JQQ-28_4.PDB 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1.80000 0.00000 -1.65000 0.00000 -2.61000 0.00000 2.38000 72.00000 PEX13_1JQQ-28_9.PDB 3.54975 -9.50000 -2.26000 -6.53000 -11.94000 -2.53000 17.52000 -14.44000 3.30000 9.08000 1.34000 0.00000 0.00000 0.00000 0.13000 1.86000 0.00000 -0.89000 0.00000 -2.28000 0.00000 2.38000 72.00000 PEX13_1JQQ-28_10.PDB 3.46228 -4.75000 -2.19000 -3.92000 -10.17000 -1.00000 13.87000 -12.30000 4.23000 7.16000 2.75000 0.00000 0.00000 0.00000 0.08000 1.59000 0.00000 -1.70000 0.00000 -1.55000 0.00000 2.38000 72.00000 PEX13_1JQQ-28_11.PDB 3.52333 -6.31000 -2.37000 -4.83000 -10.78000 -1.59000 15.27000 -13.13000 4.18000 7.98000 2.08000 0.00000 0.00000 0.00000 0.11000 1.76000 0.00000 -1.19000 0.00000 -2.04000 0.00000 2.38000 72.00000 PEX13_1JQQ-28_12.PDB 3.34088 -6.89000 -2.32000 -4.82000 -11.16000 -1.39000 15.05000 -13.16000 3.94000 7.90000 2.36000 0.00000 0.00000 0.00000 0.09000 1.60000 0.00000 -1.59000 0.00000 -1.78000 0.00000 2.38000 72.00000 PEX13_1JQQ-28_13.PDB 3.69935 -8.39000 -2.33000 -5.77000 -11.72000 -2.31000 17.06000 -14.13000 4.00000 8.67000 1.40000 0.00000 0.00000 0.00000 0.09000 1.98000 0.00000 -1.33000 0.00000 -2.01000 0.00000 2.38000 72.00000 PEX13_1JQQ-28_14.PDB 3.54005 -10.04000 -1.46000 -4.85000 -11.67000 -2.85000 16.40000 -13.87000 3.39000 7.35000 1.37000 0.00000 0.00000 0.00000 0.21000 1.72000 0.00000 -1.54000 0.00000 -2.52000 0.00000 2.38000 72.00000 PEX13_1JQQ-28_15.PDB 2.61766 -6.28000 -2.21000 -4.89000 -11.33000 -1.31000 16.03000 -13.51000 4.05000 7.35000 1.82000 0.00000 0.00000 0.00000 0.18000 1.74000 0.00000 -1.05000 0.00000 -1.42000 0.00000 2.38000 72.00000 PEX13_1JQQ-28_16.PDB 3.99530 -9.63000 -2.62000 -7.86000 -11.30000 -1.96000 16.57000 -13.64000 3.51000 7.99000 2.44000 0.00000 0.00000 0.00000 0.29000 1.90000 0.00000 -1.26000 0.00000 -1.81000 0.00000 2.38000 72.00000 PEX13_1JQQ-28_17.PDB 2.90103 -6.86000 -1.38000 -4.79000 -11.08000 -1.92000 16.01000 -13.19000 3.03000 7.54000 2.09000 0.00000 0.00000 0.00000 0.10000 1.58000 0.00000 -1.32000 0.00000 -1.97000 0.00000 2.38000 72.00000 PEX13_1JQQ-28_18.PDB 2.58392 -3.47000 -2.31000 -4.15000 -10.45000 -0.74000 14.85000 -12.38000 4.92000 7.26000 2.63000 0.00000 0.00000 0.00000 0.07000 1.62000 0.00000 -1.64000 0.00000 -1.51000 0.00000 2.38000 72.00000 PEX13_1JQQ-28_19.PDB 3.98872 -8.69000 -2.55000 -5.91000 -11.52000 -2.10000 16.09000 -13.81000 4.24000 8.12000 2.02000 0.00000 0.00000 0.00000 0.18000 1.73000 0.00000 -1.55000 0.00000 -1.89000 0.00000 2.38000 72.00000 PEX13_1JQQ-28_20.PDB 3.25636 -6.47000 -1.20000 -3.76000 -10.09000 -1.58000 13.66000 -12.36000 2.84000 6.94000 2.28000 0.00000 0.00000 0.00000 0.15000 1.43000 0.00000 -1.45000 0.00000 -1.91000 0.00000 2.38000 72.00000 PEX13_1JQQ-28_21.PDB 2.49092 -11.09000 -4.05000 -7.45000 -12.21000 -3.64000 18.09000 -13.65000 4.39000 8.89000 3.66000 0.00000 0.00000 0.00000 0.31000 1.79000 0.00000 -2.43000 0.00000 -2.99000 0.00000 2.38000 72.00000 PEX13_1JQQ-28_22.PDB 3.39160 -9.36000 -1.83000 -4.88000 -11.20000 -2.28000 15.43000 -13.48000 3.40000 6.90000 2.07000 0.00000 0.00000 0.00000 0.12000 1.68000 0.00000 -1.49000 0.00000 -2.11000 0.00000 2.38000 72.00000 PEX13_1JQQ-28_23.PDB 3.47139 -7.23000 -3.03000 -5.73000 -11.30000 -1.35000 16.00000 -13.60000 3.01000 9.51000 2.45000 0.00000 0.00000 0.00000 0.07000 1.61000 0.00000 -1.47000 0.00000 -1.80000 0.00000 2.38000 72.00000 PEX13_1JQQ-28_24.PDB 2.36491 -8.47000 -1.40000 -4.98000 -10.86000 -2.30000 15.67000 -12.87000 3.09000 6.88000 2.02000 0.00000 0.00000 0.00000 0.21000 1.57000 0.00000 -1.71000 0.00000 -2.23000 0.00000 2.38000 72.00000 PEX13_1JQQ-28_25.PDB 3.50623 -7.11000 -2.29000 -5.87000 -12.00000 -2.40000 16.93000 -14.38000 4.49000 8.62000 3.18000 0.00000 0.00000 0.00000 0.20000 1.86000 0.00000 -1.48000 0.00000 -2.10000 0.00000 2.38000 72.00000 PEX13_1JQQ-28_26.PDB 3.01288 -7.55000 -2.56000 -4.77000 -11.57000 -1.57000 14.93000 -13.77000 4.02000 7.90000 3.19000 0.00000 0.00000 0.00000 0.10000 1.66000 0.00000 -1.56000 0.00000 -1.87000 0.00000 2.38000 72.00000 PEX13_1JQQ-28_27.PDB 3.78563 -11.08000 -3.84000 -7.57000 -12.74000 -4.00000 19.18000 -14.25000 5.06000 8.86000 2.30000 0.00000 0.00000 0.00000 0.40000 1.98000 0.00000 -1.48000 0.00000 -3.01000 0.00000 2.38000 72.00000 PEX13_1JQQ-28_28.PDB 2.66629 -12.05000 -4.41000 -8.02000 -12.78000 -3.27000 19.53000 -14.33000 3.75000 9.55000 2.27000 0.00000 0.00000 0.00000 0.17000 1.92000 0.00000 -1.79000 0.00000 -2.72000 0.00000 2.38000 72.00000 PEX13_1JQQ-28_29.PDB 3.63405 -6.82000 -3.19000 -5.11000 -10.76000 -1.50000 15.18000 -12.89000 3.59000 8.31000 2.77000 0.00000 0.00000 0.00000 0.06000 1.71000 0.00000 -1.32000 0.00000 -1.95000 0.00000 2.38000 72.00000 PEX13_1JQQ-28_30.PDB 3.51198 -6.50000 -2.96000 -4.79000 -10.54000 -1.29000 14.68000 -12.82000 3.65000 8.49000 2.44000 0.00000 0.00000 0.00000 0.11000 1.71000 0.00000 -1.62000 0.00000 -1.86000 0.00000 2.38000 72.00000