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_1N5Z-16_1.PDB 4.03065 -7.46000 -0.43000 -1.26000 -9.03000 -0.28000 7.91000 -13.08000 3.12000 4.22000 2.52000 0.00000 0.00000 0.00000 0.10000 0.49000 0.00000 -0.65000 0.00000 -0.59000 0.00000 2.38000 71.00000 PEX13_1N5Z-16_2.PDB 3.99362 -9.78000 -0.44000 -1.33000 -9.32000 -0.37000 8.14000 -13.55000 2.15000 4.50000 1.87000 0.00000 0.00000 0.00000 0.09000 0.48000 0.00000 -0.85000 0.00000 -0.66000 0.00000 2.38000 71.00000 PEX13_1N5Z-16_3.PDB 4.06510 -7.17000 -0.45000 -1.35000 -9.42000 -0.37000 8.60000 -13.33000 3.67000 4.65000 2.02000 0.00000 0.00000 0.00000 0.11000 0.49000 0.00000 -0.64000 0.00000 -0.64000 0.00000 2.38000 71.00000 PEX13_1N5Z-16_4.PDB 3.35656 -9.26000 -0.42000 -3.14000 -9.42000 -0.76000 8.67000 -13.36000 2.80000 5.86000 1.99000 0.00000 0.00000 0.00000 0.06000 0.68000 0.00000 -0.64000 0.00000 -0.89000 0.00000 2.38000 71.00000 PEX13_1N5Z-16_5.PDB 4.26608 -7.65000 -0.48000 -1.48000 -9.77000 -0.38000 9.36000 -13.62000 2.79000 4.87000 2.38000 0.00000 0.00000 0.00000 0.10000 0.50000 0.00000 -0.79000 0.00000 -0.63000 0.00000 2.38000 71.00000 PEX13_1N5Z-16_6.PDB 4.02283 -7.90000 -0.47000 -1.49000 -9.18000 -1.10000 8.96000 -12.80000 2.99000 4.75000 2.57000 0.00000 0.00000 0.00000 0.06000 0.42000 0.00000 -0.82000 0.00000 -1.37000 0.00000 2.38000 71.00000 PEX13_1N5Z-16_7.PDB 3.15679 -7.65000 -0.47000 -0.55000 -8.94000 -0.09000 8.04000 -12.93000 2.91000 3.45000 2.01000 0.00000 0.00000 0.00000 0.05000 0.50000 0.00000 -0.69000 0.00000 -0.47000 0.00000 2.38000 71.00000 PEX13_1N5Z-16_8.PDB 4.25892 -7.48000 -1.31000 -2.31000 -9.27000 -0.55000 9.44000 -12.75000 3.13000 4.94000 2.83000 0.00000 0.00000 0.00000 0.11000 0.52000 0.00000 -0.98000 0.00000 -0.78000 0.00000 2.38000 71.00000 PEX13_1N5Z-16_9.PDB 3.27589 -6.51000 -0.45000 -1.24000 -9.35000 -0.35000 8.65000 -13.13000 3.95000 4.45000 2.16000 0.00000 0.00000 0.00000 0.13000 0.59000 0.00000 -0.79000 0.00000 -0.55000 0.00000 2.38000 71.00000 PEX13_1N5Z-16_10.PDB 3.99115 -8.81000 -0.45000 -1.32000 -8.92000 -0.37000 7.92000 -13.04000 2.22000 4.33000 2.14000 0.00000 0.00000 0.00000 0.09000 0.52000 0.00000 -0.71000 0.00000 -0.71000 0.00000 2.38000 71.00000 PEX13_1N5Z-16_11.PDB 4.22475 -7.48000 -0.47000 -1.27000 -9.33000 -1.28000 9.22000 -12.86000 3.70000 4.77000 2.03000 0.00000 0.00000 0.00000 0.12000 0.52000 0.00000 -0.63000 0.00000 -1.48000 0.00000 2.38000 71.00000 PEX13_1N5Z-16_12.PDB 3.25060 -10.12000 -0.47000 -0.66000 -9.05000 -0.89000 8.09000 -12.93000 1.97000 3.81000 1.69000 0.00000 0.00000 0.00000 0.12000 0.49000 0.00000 -0.65000 0.00000 -1.16000 0.00000 2.38000 71.00000 PEX13_1N5Z-16_13.PDB 3.04636 -7.79000 -0.48000 -0.60000 -9.25000 -0.10000 8.62000 -13.09000 2.62000 3.76000 1.92000 0.00000 0.00000 0.00000 0.08000 0.43000 0.00000 -0.85000 0.00000 -0.40000 0.00000 2.38000 71.00000 PEX13_1N5Z-16_14.PDB 4.21595 -9.92000 -0.45000 -1.32000 -8.96000 -0.28000 7.61000 -13.31000 2.06000 4.14000 1.98000 0.00000 0.00000 0.00000 0.11000 0.52000 0.00000 -0.84000 0.00000 -0.65000 0.00000 2.38000 71.00000 PEX13_1N5Z-16_15.PDB 3.48469 -7.32000 -0.42000 -0.51000 -9.31000 -0.21000 8.08000 -13.37000 3.89000 3.80000 1.90000 0.00000 0.00000 0.00000 0.06000 0.51000 0.00000 -0.69000 0.00000 -0.54000 0.00000 2.38000 71.00000 PEX13_1N5Z-16_16.PDB 3.78023 -6.09000 -1.30000 -1.97000 -8.86000 -0.48000 9.08000 -12.30000 4.23000 4.49000 2.56000 0.00000 0.00000 0.00000 0.07000 0.63000 0.00000 -0.84000 0.00000 -0.77000 0.00000 2.38000 71.00000 PEX13_1N5Z-16_17.PDB 4.18073 -8.87000 -0.42000 -1.41000 -8.49000 -0.48000 7.91000 -12.29000 1.93000 4.25000 1.48000 0.00000 0.00000 0.00000 0.08000 0.46000 0.00000 -0.68000 0.00000 -0.74000 0.00000 2.38000 71.00000 PEX13_1N5Z-16_18.PDB 4.18778 -8.58000 -0.50000 -1.40000 -9.43000 -0.45000 8.33000 -13.45000 2.78000 4.77000 2.04000 0.00000 0.00000 0.00000 0.18000 0.60000 0.00000 -0.79000 0.00000 -0.67000 0.00000 2.38000 71.00000 PEX13_1N5Z-16_19.PDB 4.05272 -9.63000 -0.43000 -1.30000 -8.99000 -1.15000 8.12000 -12.89000 2.92000 4.32000 1.87000 0.00000 0.00000 0.00000 0.05000 0.44000 0.00000 -0.72000 0.00000 -1.43000 0.00000 2.38000 71.00000 PEX13_1N5Z-16_20.PDB 3.32589 -7.55000 -0.50000 -0.56000 -9.03000 -0.60000 8.66000 -12.68000 2.79000 3.62000 2.33000 0.00000 0.00000 0.00000 0.13000 0.44000 0.00000 -0.76000 0.00000 -0.93000 0.00000 2.38000 71.00000 PEX13_1N5Z-16_21.PDB 3.25316 -6.91000 -0.50000 -1.41000 -8.89000 -0.27000 9.35000 -12.30000 1.96000 4.35000 1.99000 0.00000 0.00000 0.00000 0.08000 0.46000 0.00000 -0.79000 0.00000 -0.49000 0.00000 2.38000 71.00000 PEX13_1N5Z-16_22.PDB 4.03731 -9.18000 -0.42000 -0.58000 -9.13000 -0.07000 7.56000 -13.46000 2.31000 3.75000 1.83000 0.00000 0.00000 0.00000 0.08000 0.51000 0.00000 -0.64000 0.00000 -0.39000 0.00000 2.38000 71.00000 PEX13_1N5Z-16_23.PDB 3.02144 -6.68000 -0.43000 -0.51000 -9.35000 0.13000 8.06000 -13.52000 4.09000 3.61000 1.90000 0.00000 0.00000 0.00000 0.08000 0.59000 0.00000 -0.65000 0.00000 -0.08000 0.00000 2.38000 71.00000 PEX13_1N5Z-16_24.PDB 2.94108 -7.13000 -0.49000 -0.69000 -9.51000 -0.25000 9.13000 -13.25000 3.04000 3.96000 2.17000 0.00000 0.00000 0.00000 0.10000 0.45000 0.00000 -0.76000 0.00000 -0.59000 0.00000 2.38000 71.00000 PEX13_1N5Z-16_25.PDB 2.74873 -8.74000 -0.43000 -0.52000 -8.68000 -0.04000 6.99000 -12.98000 2.98000 3.23000 1.81000 0.00000 0.00000 0.00000 0.04000 0.53000 0.00000 -0.75000 0.00000 -0.41000 0.00000 2.38000 71.00000 PEX13_1N5Z-16_26.PDB 2.29352 -7.68000 -0.45000 -1.39000 -9.46000 -0.41000 8.63000 -13.40000 2.99000 4.70000 2.35000 0.00000 0.00000 0.00000 0.11000 0.45000 0.00000 -0.68000 0.00000 -0.66000 0.00000 2.38000 71.00000 PEX13_1N5Z-16_27.PDB 3.88648 -8.25000 -0.51000 -0.60000 -8.78000 -0.91000 8.23000 -12.51000 2.99000 3.63000 2.11000 0.00000 0.00000 0.00000 0.05000 0.41000 0.00000 -0.71000 0.00000 -1.26000 0.00000 2.38000 71.00000 PEX13_1N5Z-16_28.PDB 3.83536 -7.97000 -0.41000 -0.56000 -8.26000 -0.24000 7.25000 -12.00000 2.74000 3.39000 1.33000 0.00000 0.00000 0.00000 0.05000 0.48000 0.00000 -0.73000 0.00000 -0.51000 0.00000 2.38000 71.00000 PEX13_1N5Z-16_29.PDB 4.24444 -7.34000 -0.41000 -1.34000 -8.62000 -1.31000 9.18000 -11.64000 2.62000 4.63000 1.71000 0.00000 0.00000 0.00000 0.10000 0.41000 0.00000 -0.74000 0.00000 -1.54000 0.00000 2.38000 71.00000 PEX13_1N5Z-16_30.PDB 4.20096 -7.48000 -0.47000 -1.43000 -9.27000 -0.70000 8.99000 -12.81000 2.73000 4.71000 2.47000 0.00000 0.00000 0.00000 0.12000 0.52000 0.00000 -0.90000 0.00000 -0.92000 0.00000 2.38000 71.00000