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_1JQQ-18_1.PDB 2.29000 -46.58000 -18.58000 -78.86000 -3.02000 98.08000 -102.26000 11.57000 44.92000 99.34000 0.00000 0.00000 0.00000 2.63000 20.60000 0.00000 -3.03000 0.00000 -1.93000 0.00000 0.00000 72.00000 PEX13_1JQQ-18_2.PDB 0.96000 -47.24000 -19.97000 -79.63000 -5.00000 101.93000 -102.76000 11.99000 45.61000 97.87000 0.00000 0.00000 0.00000 3.56000 20.65000 0.00000 -3.02000 0.00000 -2.38000 0.00000 0.00000 72.00000 PEX13_1JQQ-18_3.PDB 2.80000 -48.06000 -20.80000 -80.59000 -4.79000 102.94000 -103.95000 13.76000 46.88000 99.78000 0.00000 0.00000 0.00000 3.07000 20.85000 0.00000 -3.10000 0.00000 -2.34000 0.00000 0.00000 72.00000 PEX13_1JQQ-18_4.PDB 0.99000 -46.41000 -18.32000 -78.58000 -3.89000 99.03000 -101.84000 10.59000 44.18000 98.36000 0.00000 0.00000 0.00000 3.47000 20.40000 0.00000 -3.46000 0.00000 -2.13000 0.00000 0.00000 72.00000 PEX13_1JQQ-18_5.PDB 3.49000 -45.96000 -17.80000 -79.72000 -3.36000 98.99000 -103.34000 11.88000 45.00000 100.77000 0.00000 0.00000 0.00000 2.58000 20.20000 0.00000 -3.61000 0.00000 -1.95000 0.00000 0.00000 72.00000 PEX13_1JQQ-18_6.PDB 2.77000 -46.36000 -18.32000 -79.54000 -3.51000 99.75000 -103.20000 11.54000 44.08000 100.80000 0.00000 0.00000 0.00000 2.88000 20.39000 0.00000 -3.34000 0.00000 -2.02000 0.00000 0.00000 72.00000 PEX13_1JQQ-18_7.PDB 2.19000 -47.59000 -17.55000 -79.29000 -4.27000 100.62000 -102.68000 11.33000 43.89000 99.71000 0.00000 0.00000 0.00000 2.68000 20.49000 0.00000 -2.73000 0.00000 -1.94000 0.00000 0.00000 72.00000 PEX13_1JQQ-18_8.PDB 1.90000 -46.20000 -17.94000 -78.91000 -4.07000 98.30000 -103.19000 13.02000 45.30000 98.99000 0.00000 0.00000 0.00000 2.53000 20.62000 0.00000 -3.42000 0.00000 -2.50000 0.00000 0.00000 72.00000 PEX13_1JQQ-18_9.PDB 2.14000 -48.00000 -20.93000 -79.69000 -4.01000 101.26000 -102.82000 11.98000 46.06000 100.51000 0.00000 0.00000 0.00000 3.27000 20.38000 0.00000 -3.54000 0.00000 -1.94000 0.00000 0.00000 72.00000 PEX13_1JQQ-18_10.PDB 2.59000 -45.53000 -14.62000 -78.32000 -3.96000 97.60000 -101.85000 8.90000 43.43000 99.27000 0.00000 0.00000 0.00000 2.69000 20.33000 0.00000 -3.30000 0.00000 -1.72000 0.00000 0.00000 72.00000 PEX13_1JQQ-18_11.PDB 3.07000 -45.66000 -17.48000 -78.41000 -3.63000 98.42000 -101.85000 10.62000 42.83000 99.80000 0.00000 0.00000 0.00000 3.46000 20.36000 0.00000 -3.10000 0.00000 -1.93000 0.00000 0.00000 72.00000 PEX13_1JQQ-18_12.PDB -0.96000 -46.19000 -17.89000 -78.24000 -3.83000 97.77000 -102.21000 11.41000 42.97000 98.07000 0.00000 0.00000 0.00000 2.38000 20.41000 0.00000 -2.83000 0.00000 -2.36000 0.00000 0.00000 72.00000 PEX13_1JQQ-18_13.PDB 4.68000 -44.70000 -18.54000 -80.79000 -4.17000 101.52000 -104.66000 11.97000 44.71000 100.53000 0.00000 0.00000 0.00000 3.23000 20.81000 0.00000 -2.73000 0.00000 -1.68000 0.00000 0.00000 72.00000 PEX13_1JQQ-18_14.PDB 0.32000 -45.14000 -18.34000 -77.68000 -3.87000 98.23000 -100.98000 9.54000 43.13000 98.43000 0.00000 0.00000 0.00000 2.31000 20.15000 0.00000 -3.27000 0.00000 -2.05000 0.00000 0.00000 72.00000 PEX13_1JQQ-18_15.PDB 4.04000 -46.63000 -16.99000 -80.39000 -4.38000 100.13000 -104.56000 15.06000 44.66000 99.60000 0.00000 0.00000 0.00000 2.42000 20.84000 0.00000 -2.97000 0.00000 -1.92000 0.00000 0.00000 72.00000 PEX13_1JQQ-18_16.PDB 4.17000 -45.57000 -17.40000 -79.35000 -4.00000 99.64000 -102.84000 12.00000 43.62000 99.32000 0.00000 0.00000 0.00000 3.29000 20.60000 0.00000 -2.80000 0.00000 -1.73000 0.00000 0.00000 72.00000 PEX13_1JQQ-18_17.PDB 4.44000 -46.11000 -17.31000 -80.08000 -3.75000 100.66000 -103.40000 10.11000 45.59000 100.27000 0.00000 0.00000 0.00000 3.36000 20.66000 0.00000 -3.12000 0.00000 -1.78000 0.00000 0.00000 72.00000 PEX13_1JQQ-18_18.PDB 1.02000 -45.73000 -19.73000 -78.09000 -4.42000 100.12000 -100.78000 8.94000 44.79000 98.62000 0.00000 0.00000 0.00000 2.35000 20.42000 0.00000 -3.07000 0.00000 -1.98000 0.00000 0.00000 72.00000 PEX13_1JQQ-18_19.PDB 2.22000 -45.52000 -17.82000 -78.32000 -4.02000 99.49000 -101.35000 9.05000 43.36000 99.22000 0.00000 0.00000 0.00000 2.28000 20.39000 0.00000 -2.62000 0.00000 -1.53000 0.00000 0.00000 72.00000 PEX13_1JQQ-18_20.PDB 0.13000 -45.84000 -17.72000 -78.65000 -3.27000 98.20000 -102.81000 12.41000 42.26000 97.91000 0.00000 0.00000 0.00000 2.33000 20.49000 0.00000 -2.72000 0.00000 -1.96000 0.00000 0.00000 72.00000 PEX13_1JQQ-18_21.PDB -0.17000 -45.02000 -18.50000 -78.65000 -4.30000 99.71000 -101.80000 9.02000 43.50000 98.43000 0.00000 0.00000 0.00000 2.32000 20.49000 0.00000 -2.97000 0.00000 -1.91000 0.00000 0.00000 72.00000 PEX13_1JQQ-18_22.PDB 3.80000 -45.67000 -17.57000 -79.43000 -4.19000 99.59000 -102.67000 12.47000 43.81000 99.03000 0.00000 0.00000 0.00000 3.28000 20.65000 0.00000 -3.01000 0.00000 -1.84000 0.00000 0.00000 72.00000 PEX13_1JQQ-18_23.PDB 0.96000 -46.51000 -19.25000 -79.23000 -3.74000 99.69000 -102.71000 10.61000 45.06000 99.52000 0.00000 0.00000 0.00000 3.37000 20.43000 0.00000 -3.71000 0.00000 -2.13000 0.00000 0.00000 72.00000 PEX13_1JQQ-18_24.PDB 0.54000 -46.02000 -16.63000 -77.84000 -3.52000 97.60000 -100.94000 9.04000 43.56000 97.65000 0.00000 0.00000 0.00000 2.93000 20.10000 0.00000 -3.52000 0.00000 -1.78000 0.00000 0.00000 72.00000 PEX13_1JQQ-18_25.PDB 1.84000 -46.28000 -19.16000 -79.54000 -2.80000 98.96000 -103.23000 10.37000 45.16000 100.47000 0.00000 0.00000 0.00000 2.66000 20.39000 0.00000 -3.07000 0.00000 -1.69000 0.00000 0.00000 72.00000 PEX13_1JQQ-18_26.PDB 2.44000 -46.90000 -16.97000 -79.63000 -3.98000 99.16000 -103.77000 11.75000 44.95000 100.17000 0.00000 0.00000 0.00000 2.99000 20.54000 0.00000 -3.10000 0.00000 -2.22000 0.00000 0.00000 72.00000 PEX13_1JQQ-18_27.PDB 3.05000 -46.13000 -16.57000 -79.49000 -3.70000 99.42000 -103.49000 9.96000 44.37000 100.65000 0.00000 0.00000 0.00000 3.01000 20.48000 0.00000 -2.99000 0.00000 -1.98000 0.00000 0.00000 72.00000 PEX13_1JQQ-18_28.PDB 2.06000 -46.23000 -18.04000 -79.28000 -3.61000 99.17000 -103.68000 13.77000 42.83000 99.71000 0.00000 0.00000 0.00000 2.29000 20.68000 0.00000 -2.88000 0.00000 -2.00000 0.00000 0.00000 72.00000 PEX13_1JQQ-18_29.PDB 1.97000 -45.06000 -18.94000 -79.95000 -4.78000 100.85000 -104.10000 12.52000 44.68000 99.62000 0.00000 0.00000 0.00000 2.34000 20.91000 0.00000 -2.81000 0.00000 -2.40000 0.00000 0.00000 72.00000 PEX13_1JQQ-18_30.PDB 2.94000 -46.04000 -17.52000 -79.43000 -3.44000 99.79000 -103.14000 10.80000 44.13000 100.44000 0.00000 0.00000 0.00000 2.58000 20.49000 0.00000 -3.19000 0.00000 -2.05000 0.00000 0.00000 72.00000