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-8_1.PDB 2.29705 -8.27000 -1.83000 -1.79000 -9.09000 -1.70000 8.65000 -11.68000 3.18000 4.94000 2.59000 0.00000 0.00000 0.00000 0.28000 0.54000 0.00000 -0.82000 0.00000 -1.00000 0.00000 2.38000 70.00000 PEX13_1JQQ-8_2.PDB 3.10506 -8.08000 -2.46000 -2.53000 -9.51000 -1.42000 9.87000 -11.65000 3.46000 4.79000 2.58000 0.00000 0.00000 0.00000 0.36000 0.53000 0.00000 -0.85000 0.00000 -0.72000 0.00000 2.38000 70.00000 PEX13_1JQQ-8_3.PDB 2.31848 -9.51000 -2.37000 -2.46000 -9.58000 -1.80000 9.90000 -11.83000 2.42000 4.94000 2.93000 0.00000 0.00000 0.00000 0.44000 0.52000 0.00000 -1.17000 0.00000 -0.93000 0.00000 2.38000 70.00000 PEX13_1JQQ-8_4.PDB 2.35381 -8.54000 -0.24000 -0.20000 -8.24000 -1.57000 7.16000 -11.18000 1.35000 4.08000 1.89000 0.00000 0.00000 0.00000 0.19000 0.45000 0.00000 -0.65000 0.00000 -1.13000 0.00000 2.38000 70.00000 PEX13_1JQQ-8_5.PDB 2.65298 -9.40000 -1.85000 -2.60000 -9.39000 -2.63000 9.65000 -11.84000 2.96000 5.52000 2.83000 0.00000 0.00000 0.00000 0.25000 0.56000 0.00000 -0.76000 0.00000 -1.53000 0.00000 2.38000 70.00000 PEX13_1JQQ-8_6.PDB 2.68701 -9.03000 -1.94000 -1.90000 -8.82000 -1.71000 8.93000 -11.06000 1.76000 4.82000 2.17000 0.00000 0.00000 0.00000 0.34000 0.50000 0.00000 -0.90000 0.00000 -0.73000 0.00000 2.38000 70.00000 PEX13_1JQQ-8_7.PDB 2.51813 -7.86000 -1.88000 -1.87000 -8.67000 -1.59000 8.36000 -10.96000 2.98000 4.75000 2.27000 0.00000 0.00000 0.00000 0.31000 0.51000 0.00000 -0.88000 0.00000 -0.69000 0.00000 2.38000 70.00000 PEX13_1JQQ-8_8.PDB 2.07911 -8.19000 -0.77000 -2.14000 -9.22000 -2.06000 8.52000 -12.09000 3.32000 5.23000 2.88000 0.00000 0.00000 0.00000 0.36000 0.49000 0.00000 -0.81000 0.00000 -1.40000 0.00000 2.38000 70.00000 PEX13_1JQQ-8_9.PDB 2.21929 -8.24000 -2.42000 -2.43000 -9.53000 -1.97000 9.93000 -11.77000 2.91000 5.39000 3.25000 0.00000 0.00000 0.00000 0.31000 0.53000 0.00000 -0.82000 0.00000 -1.09000 0.00000 2.38000 70.00000 PEX13_1JQQ-8_10.PDB 2.02382 -7.23000 -2.43000 -2.48000 -9.55000 -1.69000 10.00000 -11.69000 4.58000 4.85000 2.72000 0.00000 0.00000 0.00000 0.28000 0.53000 0.00000 -0.86000 0.00000 -0.95000 0.00000 2.38000 70.00000 PEX13_1JQQ-8_11.PDB 2.82480 -9.62000 -1.91000 -1.87000 -8.97000 -1.99000 8.77000 -11.40000 1.85000 5.09000 2.52000 0.00000 0.00000 0.00000 0.44000 0.54000 0.00000 -1.19000 0.00000 -0.97000 0.00000 2.38000 70.00000 PEX13_1JQQ-8_12.PDB 2.59879 -8.36000 -2.39000 -2.47000 -9.21000 -1.30000 9.38000 -11.54000 2.73000 4.62000 3.08000 0.00000 0.00000 0.00000 0.33000 0.54000 0.00000 -0.87000 0.00000 -0.74000 0.00000 2.38000 70.00000 PEX13_1JQQ-8_13.PDB 3.73358 -9.91000 -1.83000 -2.60000 -9.13000 -2.21000 9.35000 -11.36000 1.89000 5.32000 2.62000 0.00000 0.00000 0.00000 0.27000 0.55000 0.00000 -1.09000 0.00000 -1.14000 0.00000 2.38000 70.00000 PEX13_1JQQ-8_14.PDB 2.80234 -8.83000 -2.47000 -2.55000 -9.22000 -2.00000 9.61000 -11.31000 3.47000 4.87000 2.67000 0.00000 0.00000 0.00000 0.33000 0.53000 0.00000 -1.16000 0.00000 -1.08000 0.00000 2.38000 70.00000 PEX13_1JQQ-8_15.PDB 2.87070 -9.35000 -1.85000 -1.83000 -8.90000 -2.00000 9.05000 -11.16000 1.44000 4.90000 2.61000 0.00000 0.00000 0.00000 0.36000 0.51000 0.00000 -0.92000 0.00000 -1.07000 0.00000 2.38000 70.00000 PEX13_1JQQ-8_16.PDB 2.32313 -10.14000 -2.37000 -2.49000 -9.27000 -1.39000 9.64000 -11.44000 0.92000 4.99000 2.96000 0.00000 0.00000 0.00000 0.30000 0.46000 0.00000 -1.00000 0.00000 -1.00000 0.00000 2.38000 70.00000 PEX13_1JQQ-8_17.PDB 2.29176 -10.15000 -2.36000 -2.47000 -9.25000 -1.39000 9.80000 -11.38000 1.07000 4.92000 2.57000 0.00000 0.00000 0.00000 0.32000 0.46000 0.00000 -1.05000 0.00000 -0.92000 0.00000 2.38000 70.00000 PEX13_1JQQ-8_18.PDB 2.65483 -8.04000 -1.86000 -1.85000 -8.68000 -1.90000 8.31000 -11.01000 3.06000 4.96000 2.45000 0.00000 0.00000 0.00000 0.25000 0.53000 0.00000 -0.86000 0.00000 -0.92000 0.00000 2.38000 70.00000 PEX13_1JQQ-8_19.PDB 2.91389 -8.48000 -2.33000 -2.35000 -9.49000 -1.68000 9.72000 -11.66000 3.09000 4.87000 2.78000 0.00000 0.00000 0.00000 0.36000 0.56000 0.00000 -0.99000 0.00000 -0.79000 0.00000 2.38000 70.00000 PEX13_1JQQ-8_20.PDB 2.03192 -9.16000 -2.40000 -2.46000 -8.85000 -1.29000 8.99000 -11.01000 1.93000 4.65000 2.83000 0.00000 0.00000 0.00000 0.19000 0.48000 0.00000 -0.83000 0.00000 -0.91000 0.00000 2.38000 70.00000 PEX13_1JQQ-8_21.PDB 2.87952 -8.60000 -1.91000 -1.88000 -9.08000 -1.88000 8.98000 -11.42000 1.93000 5.30000 2.86000 0.00000 0.00000 0.00000 0.37000 0.54000 0.00000 -0.97000 0.00000 -0.91000 0.00000 2.38000 70.00000 PEX13_1JQQ-8_22.PDB 1.86933 -10.87000 -2.20000 -2.31000 -9.37000 -2.34000 10.10000 -11.26000 1.13000 5.53000 3.03000 0.00000 0.00000 0.00000 0.23000 0.56000 0.00000 -1.59000 0.00000 -1.82000 0.00000 2.38000 70.00000 PEX13_1JQQ-8_23.PDB 1.78556 -9.64000 -1.80000 -2.53000 -8.74000 -2.24000 9.31000 -10.72000 1.51000 5.74000 2.21000 0.00000 0.00000 0.00000 0.15000 0.52000 0.00000 -0.90000 0.00000 -1.65000 0.00000 2.38000 70.00000 PEX13_1JQQ-8_24.PDB 2.11724 -8.66000 -2.49000 -2.54000 -9.51000 -1.82000 9.73000 -11.82000 3.96000 4.82000 2.55000 0.00000 0.00000 0.00000 0.33000 0.56000 0.00000 -0.92000 0.00000 -0.93000 0.00000 2.38000 70.00000 PEX13_1JQQ-8_25.PDB 2.01118 -8.24000 -1.86000 -1.84000 -9.03000 -2.01000 8.88000 -11.58000 2.78000 5.29000 2.69000 0.00000 0.00000 0.00000 0.29000 0.53000 0.00000 -0.77000 0.00000 -1.09000 0.00000 2.38000 70.00000 PEX13_1JQQ-8_26.PDB 2.23938 -8.29000 -0.81000 -0.86000 -8.26000 -1.47000 7.99000 -10.60000 1.02000 4.11000 2.46000 0.00000 0.00000 0.00000 0.30000 0.39000 0.00000 -0.81000 0.00000 -1.36000 0.00000 2.38000 70.00000 PEX13_1JQQ-8_27.PDB 2.39525 -9.16000 -2.36000 -2.44000 -9.68000 -1.87000 9.82000 -12.07000 3.15000 4.99000 2.95000 0.00000 0.00000 0.00000 0.39000 0.56000 0.00000 -1.05000 0.00000 -0.98000 0.00000 2.38000 70.00000 PEX13_1JQQ-8_28.PDB 2.12606 -9.82000 -2.37000 -2.46000 -9.23000 -1.61000 9.84000 -11.36000 1.54000 5.00000 2.68000 0.00000 0.00000 0.00000 0.24000 0.47000 0.00000 -0.90000 0.00000 -1.17000 0.00000 2.38000 70.00000 PEX13_1JQQ-8_29.PDB 2.39728 -10.24000 -2.39000 -2.51000 -9.15000 -1.70000 9.67000 -11.25000 1.23000 5.02000 3.04000 0.00000 0.00000 0.00000 0.25000 0.49000 0.00000 -1.16000 0.00000 -1.29000 0.00000 2.38000 70.00000 PEX13_1JQQ-8_30.PDB 2.09427 -9.89000 -2.43000 -2.47000 -9.00000 -1.41000 8.68000 -11.15000 2.01000 4.82000 2.63000 0.00000 0.00000 0.00000 0.27000 0.55000 0.00000 -0.93000 0.00000 -0.91000 0.00000 2.38000 70.00000