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-13_1.PDB -8.95000 -47.80000 -18.92000 -76.87000 -4.64000 97.28000 -98.03000 5.55000 43.62000 93.69000 0.00000 0.00000 0.00000 2.42000 18.26000 0.00000 -2.94000 0.00000 -2.29000 0.00000 0.00000 70.00000 PEX13_1JQQ-13_2.PDB -7.80000 -46.88000 -18.68000 -76.94000 -4.54000 97.12000 -98.07000 4.85000 44.07000 94.23000 0.00000 0.00000 0.00000 2.70000 18.34000 0.00000 -3.02000 0.00000 -2.66000 0.00000 0.00000 70.00000 PEX13_1JQQ-13_3.PDB -12.61000 -48.00000 -19.12000 -77.20000 -4.53000 96.74000 -98.88000 4.08000 44.07000 92.52000 0.00000 0.00000 0.00000 2.19000 18.56000 0.00000 -2.78000 0.00000 -1.70000 0.00000 0.00000 70.00000 PEX13_1JQQ-13_4.PDB -9.98000 -46.93000 -19.92000 -76.64000 -5.32000 96.98000 -97.65000 3.83000 45.47000 93.75000 0.00000 0.00000 0.00000 2.36000 18.24000 0.00000 -3.19000 0.00000 -2.73000 0.00000 0.00000 70.00000 PEX13_1JQQ-13_5.PDB -8.25000 -47.02000 -21.52000 -76.88000 -5.90000 98.76000 -97.38000 4.33000 45.61000 93.53000 0.00000 0.00000 0.00000 4.10000 18.49000 0.00000 -3.17000 0.00000 -2.71000 0.00000 0.00000 70.00000 PEX13_1JQQ-13_6.PDB -9.34000 -46.93000 -19.04000 -76.55000 -4.36000 96.48000 -97.91000 3.89000 43.39000 94.24000 0.00000 0.00000 0.00000 2.57000 18.30000 0.00000 -2.75000 0.00000 -2.37000 0.00000 0.00000 70.00000 PEX13_1JQQ-13_7.PDB -12.56000 -47.84000 -19.83000 -76.42000 -4.57000 96.17000 -97.76000 3.15000 44.49000 92.40000 0.00000 0.00000 0.00000 2.70000 18.36000 0.00000 -2.93000 0.00000 -2.12000 0.00000 0.00000 70.00000 PEX13_1JQQ-13_8.PDB -10.95000 -47.20000 -18.43000 -75.75000 -3.47000 94.19000 -97.62000 2.98000 42.78000 92.67000 0.00000 0.00000 0.00000 3.12000 18.25000 0.00000 -2.82000 0.00000 -1.40000 0.00000 0.00000 70.00000 PEX13_1JQQ-13_9.PDB -7.24000 -48.83000 -21.72000 -77.75000 -4.66000 99.70000 -98.53000 5.38000 45.86000 95.39000 0.00000 0.00000 0.00000 3.65000 18.38000 0.00000 -3.54000 0.00000 -2.19000 0.00000 0.00000 70.00000 PEX13_1JQQ-13_10.PDB -8.96000 -47.93000 -19.94000 -76.80000 -3.87000 96.83000 -98.11000 4.04000 44.97000 94.63000 0.00000 0.00000 0.00000 2.62000 18.27000 0.00000 -3.07000 0.00000 -2.32000 0.00000 0.00000 70.00000 PEX13_1JQQ-13_11.PDB -10.87000 -46.84000 -19.83000 -75.55000 -3.96000 95.24000 -96.84000 3.27000 42.90000 92.50000 0.00000 0.00000 0.00000 2.67000 18.31000 0.00000 -2.74000 0.00000 -1.68000 0.00000 0.00000 70.00000 PEX13_1JQQ-13_12.PDB -5.87000 -47.68000 -19.98000 -77.17000 -4.63000 98.60000 -98.07000 4.76000 43.79000 95.56000 0.00000 0.00000 0.00000 3.98000 18.52000 0.00000 -2.87000 0.00000 -2.13000 0.00000 0.00000 70.00000 PEX13_1JQQ-13_13.PDB -10.21000 -48.69000 -19.25000 -76.06000 -3.79000 97.53000 -96.36000 3.22000 43.77000 92.37000 0.00000 0.00000 0.00000 2.67000 18.22000 0.00000 -3.16000 0.00000 -2.46000 0.00000 0.00000 70.00000 PEX13_1JQQ-13_14.PDB -7.82000 -48.62000 -19.80000 -77.14000 -4.56000 98.29000 -98.12000 4.80000 44.72000 95.52000 0.00000 0.00000 0.00000 2.61000 18.30000 0.00000 -2.95000 0.00000 -2.57000 0.00000 0.00000 70.00000 PEX13_1JQQ-13_15.PDB -12.53000 -47.82000 -19.22000 -75.83000 -3.86000 94.88000 -97.46000 2.69000 43.19000 92.66000 0.00000 0.00000 0.00000 2.48000 18.20000 0.00000 -2.41000 0.00000 -1.81000 0.00000 0.00000 70.00000 PEX13_1JQQ-13_16.PDB -9.10000 -47.22000 -19.05000 -76.39000 -4.57000 96.61000 -97.55000 4.46000 43.57000 93.68000 0.00000 0.00000 0.00000 2.36000 18.30000 0.00000 -2.69000 0.00000 -2.31000 0.00000 0.00000 70.00000 PEX13_1JQQ-13_17.PDB -10.18000 -47.14000 -20.07000 -75.96000 -3.25000 94.92000 -97.64000 3.09000 42.73000 93.75000 0.00000 0.00000 0.00000 3.49000 18.40000 0.00000 -2.87000 0.00000 -1.22000 0.00000 0.00000 70.00000 PEX13_1JQQ-13_18.PDB -8.55000 -47.80000 -22.83000 -77.21000 -5.67000 99.27000 -97.78000 4.54000 46.60000 94.69000 0.00000 0.00000 0.00000 3.48000 18.41000 0.00000 -3.02000 0.00000 -2.85000 0.00000 0.00000 70.00000 PEX13_1JQQ-13_19.PDB -8.35000 -46.98000 -18.36000 -76.48000 -4.87000 97.18000 -97.30000 4.83000 43.79000 92.73000 0.00000 0.00000 0.00000 2.86000 18.41000 0.00000 -2.96000 0.00000 -2.77000 0.00000 0.00000 70.00000 PEX13_1JQQ-13_20.PDB -8.18000 -49.16000 -21.77000 -77.50000 -5.15000 99.51000 -97.55000 6.84000 46.42000 93.94000 0.00000 0.00000 0.00000 2.96000 18.38000 0.00000 -3.24000 0.00000 -3.48000 0.00000 0.00000 70.00000 PEX13_1JQQ-13_21.PDB -11.81000 -48.85000 -19.98000 -76.95000 -4.08000 97.00000 -98.33000 2.93000 45.44000 93.59000 0.00000 0.00000 0.00000 2.20000 18.39000 0.00000 -2.85000 0.00000 -1.92000 0.00000 0.00000 70.00000 PEX13_1JQQ-13_22.PDB -9.90000 -47.12000 -20.27000 -76.19000 -4.26000 95.99000 -97.51000 3.99000 43.88000 93.07000 0.00000 0.00000 0.00000 3.16000 18.44000 0.00000 -3.09000 0.00000 -1.55000 0.00000 0.00000 70.00000 PEX13_1JQQ-13_23.PDB -7.46000 -48.67000 -19.81000 -77.47000 -4.41000 98.59000 -98.53000 5.42000 44.67000 95.64000 0.00000 0.00000 0.00000 3.01000 18.31000 0.00000 -3.50000 0.00000 -2.39000 0.00000 0.00000 70.00000 PEX13_1JQQ-13_24.PDB -11.07000 -48.56000 -20.43000 -75.57000 -4.31000 95.90000 -96.38000 4.94000 44.38000 92.09000 0.00000 0.00000 0.00000 2.01000 18.15000 0.00000 -3.13000 0.00000 -2.02000 0.00000 0.00000 70.00000 PEX13_1JQQ-13_25.PDB -8.64000 -47.00000 -19.84000 -77.22000 -3.78000 96.96000 -98.81000 5.36000 43.52000 94.00000 0.00000 0.00000 0.00000 2.94000 18.64000 0.00000 -2.94000 0.00000 -1.82000 0.00000 0.00000 70.00000 PEX13_1JQQ-13_26.PDB -9.00000 -49.16000 -20.29000 -76.97000 -5.54000 99.37000 -97.08000 5.75000 44.99000 94.34000 0.00000 0.00000 0.00000 2.61000 18.43000 0.00000 -3.71000 0.00000 -3.31000 0.00000 0.00000 70.00000 PEX13_1JQQ-13_27.PDB -11.44000 -47.97000 -19.23000 -76.15000 -3.26000 94.83000 -97.86000 2.98000 43.22000 93.94000 0.00000 0.00000 0.00000 1.91000 18.28000 0.00000 -2.55000 0.00000 -1.31000 0.00000 0.00000 70.00000 PEX13_1JQQ-13_28.PDB -11.15000 -47.78000 -18.23000 -76.40000 -3.87000 95.73000 -98.16000 4.36000 42.22000 93.31000 0.00000 0.00000 0.00000 2.43000 18.37000 0.00000 -3.18000 0.00000 -1.58000 0.00000 0.00000 70.00000 PEX13_1JQQ-13_29.PDB -7.46000 -46.97000 -18.93000 -76.55000 -4.65000 97.05000 -97.53000 4.06000 43.76000 94.52000 0.00000 0.00000 0.00000 2.97000 18.32000 0.00000 -2.84000 0.00000 -2.34000 0.00000 0.00000 70.00000 PEX13_1JQQ-13_30.PDB -7.37000 -49.43000 -21.86000 -77.26000 -4.94000 99.45000 -97.80000 4.97000 46.28000 96.08000 0.00000 0.00000 0.00000 3.28000 18.46000 0.00000 -3.36000 0.00000 -2.79000 0.00000 0.00000 70.00000