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-17_1.PDB -13.02000 -53.05000 -21.33000 -81.62000 -2.92000 102.24000 -104.77000 4.74000 44.65000 100.20000 0.00000 0.00000 0.00000 3.50000 22.33000 0.00000 -3.40000 0.00000 -1.25000 0.00000 0.00000 71.00000 PEX13_1N5Z-17_2.PDB -11.29000 -51.69000 -19.26000 -81.61000 -2.40000 101.13000 -105.34000 5.43000 43.85000 99.92000 0.00000 0.00000 0.00000 3.24000 22.35000 0.00000 -3.30000 0.00000 -1.26000 0.00000 0.00000 71.00000 PEX13_1N5Z-17_3.PDB -10.73000 -51.92000 -20.97000 -80.37000 -1.82000 100.81000 -102.99000 4.69000 43.09000 99.31000 0.00000 0.00000 0.00000 3.45000 22.15000 0.00000 -3.34000 0.00000 -0.65000 0.00000 0.00000 71.00000 PEX13_1N5Z-17_4.PDB -12.05000 -52.24000 -20.08000 -80.88000 -2.41000 100.72000 -104.45000 5.08000 43.41000 99.94000 0.00000 0.00000 0.00000 3.09000 22.30000 0.00000 -3.16000 0.00000 -1.07000 0.00000 0.00000 71.00000 PEX13_1N5Z-17_5.PDB -13.79000 -52.84000 -20.77000 -80.87000 -2.47000 100.40000 -104.45000 4.99000 44.25000 99.61000 0.00000 0.00000 0.00000 3.14000 22.22000 0.00000 -3.51000 0.00000 -1.28000 0.00000 0.00000 71.00000 PEX13_1N5Z-17_6.PDB -12.13000 -52.46000 -20.22000 -79.87000 -2.90000 100.59000 -102.57000 4.59000 43.39000 98.94000 0.00000 0.00000 0.00000 3.19000 22.12000 0.00000 -3.14000 0.00000 -1.67000 0.00000 0.00000 71.00000 PEX13_1N5Z-17_7.PDB -12.03000 -52.00000 -19.95000 -80.35000 -2.24000 100.00000 -103.92000 4.78000 43.02000 99.79000 0.00000 0.00000 0.00000 2.84000 22.18000 0.00000 -3.21000 0.00000 -0.79000 0.00000 0.00000 71.00000 PEX13_1N5Z-17_8.PDB -11.19000 -53.50000 -21.47000 -79.31000 -2.40000 99.69000 -101.76000 6.61000 43.21000 99.03000 0.00000 0.00000 0.00000 2.91000 22.34000 0.00000 -3.23000 0.00000 -0.98000 0.00000 0.00000 71.00000 PEX13_1N5Z-17_9.PDB -12.20000 -52.12000 -20.05000 -81.26000 -2.66000 100.67000 -104.98000 5.89000 43.96000 99.82000 0.00000 0.00000 0.00000 2.76000 22.30000 0.00000 -2.91000 0.00000 -1.32000 0.00000 0.00000 71.00000 PEX13_1N5Z-17_10.PDB -11.55000 -52.85000 -20.56000 -80.42000 -2.46000 100.34000 -103.62000 6.23000 43.51000 99.74000 0.00000 0.00000 0.00000 2.93000 22.26000 0.00000 -3.35000 0.00000 -1.04000 0.00000 0.00000 71.00000 PEX13_1N5Z-17_11.PDB -11.95000 -52.58000 -20.34000 -78.97000 -2.44000 98.93000 -101.68000 5.59000 42.82000 98.59000 0.00000 0.00000 0.00000 2.92000 21.99000 0.00000 -3.33000 0.00000 -1.45000 0.00000 0.00000 71.00000 PEX13_1N5Z-17_12.PDB -11.36000 -52.55000 -20.20000 -79.60000 -2.48000 100.04000 -102.31000 5.14000 42.75000 98.92000 0.00000 0.00000 0.00000 3.01000 22.15000 0.00000 -3.10000 0.00000 -0.96000 0.00000 0.00000 71.00000 PEX13_1N5Z-17_13.PDB -10.71000 -51.79000 -19.67000 -81.80000 -2.33000 101.35000 -105.68000 6.31000 44.13000 99.77000 0.00000 0.00000 0.00000 2.73000 22.31000 0.00000 -2.85000 0.00000 -0.87000 0.00000 0.00000 71.00000 PEX13_1N5Z-17_14.PDB -12.73000 -52.04000 -19.99000 -81.26000 -2.27000 100.79000 -105.14000 4.80000 43.88000 99.90000 0.00000 0.00000 0.00000 2.93000 22.27000 0.00000 -3.16000 0.00000 -1.17000 0.00000 0.00000 71.00000 PEX13_1N5Z-17_15.PDB -12.93000 -52.28000 -20.07000 -81.34000 -2.86000 100.73000 -105.25000 6.34000 44.04000 99.71000 0.00000 0.00000 0.00000 2.94000 22.34000 0.00000 -3.41000 0.00000 -1.48000 0.00000 0.00000 71.00000 PEX13_1N5Z-17_16.PDB -11.88000 -52.60000 -20.31000 -80.12000 -3.13000 100.66000 -102.89000 6.12000 43.55000 98.91000 0.00000 0.00000 0.00000 2.96000 22.29000 0.00000 -3.33000 0.00000 -1.71000 0.00000 0.00000 71.00000 PEX13_1N5Z-17_17.PDB -12.64000 -52.23000 -20.18000 -80.11000 -2.23000 99.49000 -103.63000 4.90000 43.21000 99.54000 0.00000 0.00000 0.00000 2.89000 22.18000 0.00000 -3.01000 0.00000 -1.28000 0.00000 0.00000 71.00000 PEX13_1N5Z-17_18.PDB -10.48000 -52.98000 -22.04000 -79.32000 -2.56000 100.37000 -101.33000 6.93000 42.96000 99.00000 0.00000 0.00000 0.00000 3.10000 22.20000 0.00000 -3.52000 0.00000 -1.09000 0.00000 0.00000 71.00000 PEX13_1N5Z-17_19.PDB -12.18000 -53.15000 -20.71000 -80.42000 -3.01000 101.49000 -102.96000 5.16000 43.81000 99.05000 0.00000 0.00000 0.00000 3.28000 22.20000 0.00000 -3.47000 0.00000 -1.24000 0.00000 0.00000 71.00000 PEX13_1N5Z-17_20.PDB -12.20000 -52.48000 -20.06000 -78.97000 -2.38000 98.82000 -101.80000 5.35000 42.56000 98.56000 0.00000 0.00000 0.00000 3.01000 21.92000 0.00000 -3.38000 0.00000 -1.45000 0.00000 0.00000 71.00000 PEX13_1N5Z-17_21.PDB -13.04000 -52.85000 -22.83000 -81.00000 -2.80000 102.08000 -103.55000 4.81000 45.03000 99.31000 0.00000 0.00000 0.00000 3.37000 22.37000 0.00000 -3.11000 0.00000 -1.50000 0.00000 0.00000 71.00000 PEX13_1N5Z-17_22.PDB -12.23000 -52.94000 -20.75000 -82.29000 -2.77000 102.19000 -105.97000 6.85000 44.93000 99.77000 0.00000 0.00000 0.00000 3.16000 22.54000 0.00000 -3.08000 0.00000 -1.34000 0.00000 0.00000 71.00000 PEX13_1N5Z-17_23.PDB -8.09000 -52.05000 -19.94000 -81.36000 -1.79000 101.25000 -105.05000 6.99000 43.49000 101.14000 0.00000 0.00000 0.00000 3.21000 22.45000 0.00000 -3.25000 0.00000 -0.73000 0.00000 0.00000 71.00000 PEX13_1N5Z-17_24.PDB -12.92000 -51.85000 -20.79000 -80.04000 -2.78000 100.09000 -102.95000 4.97000 43.18000 99.14000 0.00000 0.00000 0.00000 2.93000 22.46000 0.00000 -3.46000 0.00000 -1.39000 0.00000 0.00000 71.00000 PEX13_1N5Z-17_25.PDB -10.50000 -52.12000 -19.99000 -79.63000 -1.91000 98.76000 -103.33000 6.55000 42.48000 99.52000 0.00000 0.00000 0.00000 2.87000 22.06000 0.00000 -3.00000 0.00000 -0.70000 0.00000 0.00000 71.00000 PEX13_1N5Z-17_26.PDB -13.55000 -52.99000 -21.17000 -81.74000 -3.35000 102.05000 -104.95000 4.80000 44.70000 100.17000 0.00000 0.00000 0.00000 3.78000 22.36000 0.00000 -3.46000 0.00000 -1.40000 0.00000 0.00000 71.00000 PEX13_1N5Z-17_27.PDB -9.63000 -51.63000 -19.53000 -81.43000 -1.77000 100.58000 -105.56000 6.12000 43.47000 100.24000 0.00000 0.00000 0.00000 3.23000 22.28000 0.00000 -2.87000 0.00000 -0.49000 0.00000 0.00000 71.00000 PEX13_1N5Z-17_28.PDB -12.68000 -52.81000 -20.72000 -82.08000 -3.27000 102.12000 -105.74000 6.21000 44.94000 100.01000 0.00000 0.00000 0.00000 2.97000 22.50000 0.00000 -2.86000 0.00000 -1.45000 0.00000 0.00000 71.00000 PEX13_1N5Z-17_29.PDB -11.37000 -53.09000 -21.36000 -82.51000 -3.35000 103.49000 -105.80000 6.00000 45.46000 101.19000 0.00000 0.00000 0.00000 3.41000 22.49000 0.00000 -3.08000 0.00000 -1.73000 0.00000 0.00000 71.00000 PEX13_1N5Z-17_30.PDB -13.01000 -52.99000 -20.75000 -80.66000 -3.08000 100.59000 -103.90000 5.86000 44.18000 99.69000 0.00000 0.00000 0.00000 2.72000 22.32000 0.00000 -3.13000 0.00000 -1.53000 0.00000 0.00000 71.00000