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_1N5Z-16_1.PDB -6.50000 -52.04000 -18.98000 -78.61000 -1.13000 97.84000 -102.68000 8.35000 41.92000 99.65000 0.00000 0.00000 0.00000 2.53000 21.97000 0.00000 -2.74000 0.00000 -0.59000 0.00000 0.00000 71.00000 PEX13_1N5Z-16_2.PDB -8.99000 -52.10000 -19.09000 -78.39000 -1.32000 98.15000 -102.28000 7.16000 41.99000 98.05000 0.00000 0.00000 0.00000 2.46000 21.99000 0.00000 -2.95000 0.00000 -0.66000 0.00000 0.00000 71.00000 PEX13_1N5Z-16_3.PDB -5.62000 -51.98000 -18.66000 -78.91000 -1.24000 98.47000 -102.72000 8.92000 42.13000 99.16000 0.00000 0.00000 0.00000 2.41000 22.00000 0.00000 -2.56000 0.00000 -0.64000 0.00000 0.00000 71.00000 PEX13_1N5Z-16_4.PDB -7.89000 -52.05000 -20.90000 -78.37000 -1.66000 98.66000 -101.85000 8.09000 43.02000 98.26000 0.00000 0.00000 0.00000 2.56000 22.12000 0.00000 -2.76000 0.00000 -0.89000 0.00000 0.00000 71.00000 PEX13_1N5Z-16_5.PDB -6.35000 -52.03000 -19.10000 -79.12000 -1.52000 99.11000 -102.84000 8.23000 42.47000 99.49000 0.00000 0.00000 0.00000 2.48000 21.96000 0.00000 -2.88000 0.00000 -0.63000 0.00000 0.00000 71.00000 PEX13_1N5Z-16_6.PDB -7.08000 -52.69000 -19.82000 -78.42000 -1.84000 98.67000 -101.78000 8.07000 42.88000 99.87000 0.00000 0.00000 0.00000 2.35000 21.84000 0.00000 -3.01000 0.00000 -1.37000 0.00000 0.00000 71.00000 PEX13_1N5Z-16_7.PDB -5.76000 -52.02000 -18.20000 -78.70000 -0.80000 98.18000 -102.70000 8.17000 41.32000 99.89000 0.00000 0.00000 0.00000 2.39000 21.98000 0.00000 -2.82000 0.00000 -0.47000 0.00000 0.00000 71.00000 PEX13_1N5Z-16_8.PDB -6.41000 -52.85000 -19.95000 -78.83000 -1.80000 99.47000 -102.19000 8.45000 42.67000 99.99000 0.00000 0.00000 0.00000 2.45000 22.04000 0.00000 -3.05000 0.00000 -0.78000 0.00000 0.00000 71.00000 PEX13_1N5Z-16_9.PDB -6.23000 -52.24000 -19.14000 -79.06000 -1.75000 98.98000 -102.75000 9.42000 42.28000 99.33000 0.00000 0.00000 0.00000 2.36000 22.09000 0.00000 -3.10000 0.00000 -0.55000 0.00000 0.00000 71.00000 PEX13_1N5Z-16_10.PDB -8.08000 -51.92000 -18.89000 -77.80000 -1.43000 97.57000 -101.60000 7.22000 41.51000 98.27000 0.00000 0.00000 0.00000 2.59000 21.99000 0.00000 -2.89000 0.00000 -0.71000 0.00000 0.00000 71.00000 PEX13_1N5Z-16_11.PDB -5.97000 -52.73000 -19.58000 -78.81000 -1.90000 99.28000 -102.04000 8.69000 42.94000 99.58000 0.00000 0.00000 0.00000 2.71000 22.00000 0.00000 -2.62000 0.00000 -1.48000 0.00000 0.00000 71.00000 PEX13_1N5Z-16_12.PDB -9.70000 -52.86000 -19.13000 -77.93000 -1.58000 97.71000 -101.37000 7.07000 41.62000 97.82000 0.00000 0.00000 0.00000 2.71000 21.93000 0.00000 -2.60000 0.00000 -1.16000 0.00000 0.00000 71.00000 PEX13_1N5Z-16_13.PDB -5.68000 -52.03000 -18.19000 -79.32000 -0.95000 99.13000 -103.18000 7.80000 41.71000 100.14000 0.00000 0.00000 0.00000 2.42000 21.87000 0.00000 -2.80000 0.00000 -0.40000 0.00000 0.00000 71.00000 PEX13_1N5Z-16_14.PDB -8.27000 -52.87000 -19.88000 -78.23000 -0.94000 98.15000 -102.19000 7.04000 42.41000 99.02000 0.00000 0.00000 0.00000 2.94000 21.97000 0.00000 -3.05000 0.00000 -0.65000 0.00000 0.00000 71.00000 PEX13_1N5Z-16_15.PDB -6.17000 -52.30000 -18.48000 -79.13000 -1.00000 98.60000 -103.00000 8.78000 41.64000 99.87000 0.00000 0.00000 0.00000 2.09000 22.04000 0.00000 -2.69000 0.00000 -0.54000 0.00000 0.00000 71.00000 PEX13_1N5Z-16_16.PDB -5.81000 -52.84000 -19.59000 -78.51000 -1.56000 98.87000 -102.03000 9.25000 42.17000 99.71000 0.00000 0.00000 0.00000 2.32000 22.05000 0.00000 -2.83000 0.00000 -0.77000 0.00000 0.00000 71.00000 PEX13_1N5Z-16_17.PDB -8.10000 -51.93000 -19.06000 -77.42000 -1.66000 97.59000 -100.85000 7.10000 41.57000 97.65000 0.00000 0.00000 0.00000 2.45000 21.91000 0.00000 -2.80000 0.00000 -0.74000 0.00000 0.00000 71.00000 PEX13_1N5Z-16_18.PDB -7.35000 -52.02000 -18.90000 -78.26000 -1.69000 98.10000 -101.80000 7.84000 41.90000 98.28000 0.00000 0.00000 0.00000 2.67000 22.03000 0.00000 -2.79000 0.00000 -0.67000 0.00000 0.00000 71.00000 PEX13_1N5Z-16_19.PDB -8.74000 -52.71000 -19.69000 -77.92000 -1.95000 98.08000 -101.29000 7.97000 42.25000 98.39000 0.00000 0.00000 0.00000 2.40000 21.88000 0.00000 -2.85000 0.00000 -1.43000 0.00000 0.00000 71.00000 PEX13_1N5Z-16_20.PDB -7.35000 -52.76000 -18.72000 -78.29000 -1.56000 98.19000 -101.81000 8.08000 41.47000 99.36000 0.00000 0.00000 0.00000 2.43000 21.85000 0.00000 -2.79000 0.00000 -0.93000 0.00000 0.00000 71.00000 PEX13_1N5Z-16_21.PDB -5.59000 -52.07000 -19.07000 -78.25000 -1.35000 99.29000 -101.52000 7.21000 42.11000 98.95000 0.00000 0.00000 0.00000 2.53000 21.83000 0.00000 -2.93000 0.00000 -0.49000 0.00000 0.00000 71.00000 PEX13_1N5Z-16_22.PDB -7.27000 -52.05000 -18.33000 -78.85000 -0.99000 98.13000 -102.97000 7.51000 41.50000 99.47000 0.00000 0.00000 0.00000 2.38000 21.90000 0.00000 -2.68000 0.00000 -0.39000 0.00000 0.00000 71.00000 PEX13_1N5Z-16_23.PDB -5.59000 -51.97000 -18.13000 -80.08000 -1.77000 99.19000 -104.41000 9.14000 42.91000 99.90000 0.00000 0.00000 0.00000 2.47000 22.10000 0.00000 -2.75000 0.00000 -0.08000 0.00000 0.00000 71.00000 PEX13_1N5Z-16_24.PDB -6.47000 -52.32000 -18.60000 -79.14000 -1.29000 99.28000 -102.71000 8.08000 41.57000 100.07000 0.00000 0.00000 0.00000 2.36000 21.97000 0.00000 -3.17000 0.00000 -0.59000 0.00000 0.00000 71.00000 PEX13_1N5Z-16_25.PDB -7.08000 -52.79000 -18.96000 -77.96000 -0.70000 97.53000 -101.78000 8.04000 41.41000 98.96000 0.00000 0.00000 0.00000 2.41000 21.97000 0.00000 -2.84000 0.00000 -0.41000 0.00000 0.00000 71.00000 PEX13_1N5Z-16_26.PDB -9.16000 -51.97000 -19.02000 -78.84000 -1.27000 98.35000 -102.81000 6.33000 42.40000 98.58000 0.00000 0.00000 0.00000 2.55000 21.97000 0.00000 -2.79000 0.00000 -0.66000 0.00000 0.00000 71.00000 PEX13_1N5Z-16_27.PDB -6.47000 -52.74000 -18.91000 -78.42000 -1.40000 98.35000 -101.94000 8.10000 41.82000 100.34000 0.00000 0.00000 0.00000 2.41000 21.85000 0.00000 -2.83000 0.00000 -1.26000 0.00000 0.00000 71.00000 PEX13_1N5Z-16_28.PDB -7.38000 -51.89000 -18.17000 -77.24000 -1.46000 96.97000 -100.60000 7.84000 40.72000 97.62000 0.00000 0.00000 0.00000 2.18000 21.94000 0.00000 -2.83000 0.00000 -0.51000 0.00000 0.00000 71.00000 PEX13_1N5Z-16_29.PDB -6.41000 -52.62000 -19.63000 -77.91000 -2.37000 99.01000 -100.69000 7.93000 42.65000 99.16000 0.00000 0.00000 0.00000 2.51000 21.93000 0.00000 -2.91000 0.00000 -1.54000 0.00000 0.00000 71.00000 PEX13_1N5Z-16_30.PDB -6.65000 -52.44000 -19.53000 -78.63000 -1.60000 98.99000 -101.90000 8.08000 42.33000 99.62000 0.00000 0.00000 0.00000 2.31000 22.06000 0.00000 -2.98000 0.00000 -0.92000 0.00000 0.00000 71.00000