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-8_1.PDB -5.66000 -46.83000 -17.12000 -76.63000 -2.72000 94.56000 -98.88000 5.70000 42.11000 94.71000 0.00000 0.00000 0.00000 3.53000 17.83000 0.00000 -3.08000 0.00000 -1.00000 0.00000 0.00000 70.00000 PEX13_1JQQ-8_2.PDB -4.32000 -48.28000 -18.63000 -77.49000 -2.46000 96.79000 -99.17000 6.85000 42.74000 95.69000 0.00000 0.00000 0.00000 3.30000 18.06000 0.00000 -2.94000 0.00000 -0.72000 0.00000 0.00000 70.00000 PEX13_1JQQ-8_3.PDB -6.16000 -47.09000 -17.49000 -77.51000 -2.73000 96.64000 -99.39000 5.06000 42.09000 95.01000 0.00000 0.00000 0.00000 3.34000 17.94000 0.00000 -3.15000 0.00000 -0.93000 0.00000 0.00000 70.00000 PEX13_1JQQ-8_4.PDB -5.42000 -46.03000 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0.00000 0.00000 4.95000 17.84000 0.00000 -3.42000 0.00000 -1.14000 0.00000 0.00000 70.00000 PEX13_1JQQ-8_14.PDB -5.91000 -47.88000 -18.26000 -76.88000 -3.51000 95.78000 -98.52000 6.17000 42.57000 95.87000 0.00000 0.00000 0.00000 3.55000 17.95000 0.00000 -3.73000 0.00000 -1.08000 0.00000 0.00000 70.00000 PEX13_1JQQ-8_15.PDB -6.65000 -46.51000 -18.46000 -76.25000 -3.44000 94.80000 -98.05000 4.14000 42.67000 95.05000 0.00000 0.00000 0.00000 3.71000 17.77000 0.00000 -3.25000 0.00000 -1.07000 0.00000 0.00000 70.00000 PEX13_1JQQ-8_16.PDB -6.93000 -47.16000 -17.56000 -77.44000 -2.38000 96.75000 -99.22000 3.75000 42.23000 95.08000 0.00000 0.00000 0.00000 3.08000 17.87000 0.00000 -3.07000 0.00000 -1.00000 0.00000 0.00000 70.00000 PEX13_1JQQ-8_17.PDB -6.58000 -47.97000 -18.35000 -77.25000 -2.55000 97.08000 -98.83000 3.90000 42.94000 95.35000 0.00000 0.00000 0.00000 3.04000 17.82000 0.00000 -3.00000 0.00000 -0.92000 0.00000 0.00000 70.00000 PEX13_1JQQ-8_18.PDB -4.26000 -47.80000 -18.11000 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0.00000 70.00000 PEX13_1JQQ-8_23.PDB -7.17000 -47.76000 -18.79000 -76.64000 -3.29000 96.24000 -98.06000 4.14000 43.83000 95.20000 0.00000 0.00000 0.00000 2.64000 17.80000 0.00000 -3.04000 0.00000 -1.65000 0.00000 0.00000 70.00000 PEX13_1JQQ-8_24.PDB -5.75000 -48.26000 -18.57000 -77.39000 -2.87000 96.63000 -99.27000 6.58000 42.87000 95.36000 0.00000 0.00000 0.00000 3.07000 17.94000 0.00000 -2.98000 0.00000 -0.93000 0.00000 0.00000 70.00000 PEX13_1JQQ-8_25.PDB -5.23000 -46.16000 -16.47000 -76.45000 -2.94000 94.61000 -98.65000 5.24000 41.84000 94.40000 0.00000 0.00000 0.00000 3.08000 17.76000 0.00000 -2.64000 0.00000 -1.09000 0.00000 0.00000 70.00000 PEX13_1JQQ-8_26.PDB -5.52000 -45.65000 -16.02000 -76.22000 -2.85000 94.87000 -98.11000 4.02000 41.25000 94.63000 0.00000 0.00000 0.00000 2.99000 17.92000 0.00000 -3.08000 0.00000 -1.36000 0.00000 0.00000 70.00000 PEX13_1JQQ-8_27.PDB -6.20000 -47.23000 -17.59000 -77.53000 -2.85000 96.46000 -99.56000 5.95000 42.12000 95.11000 0.00000 0.00000 0.00000 3.12000 18.03000 0.00000 -3.21000 0.00000 -0.98000 0.00000 0.00000 70.00000 PEX13_1JQQ-8_28.PDB -5.98000 -48.05000 -18.40000 -77.33000 -2.82000 97.23000 -98.88000 4.11000 43.09000 96.45000 0.00000 0.00000 0.00000 3.06000 17.99000 0.00000 -3.26000 0.00000 -1.17000 0.00000 0.00000 70.00000 PEX13_1JQQ-8_29.PDB -6.16000 -47.27000 -17.67000 -77.11000 -2.89000 96.69000 -98.75000 4.12000 42.32000 95.75000 0.00000 0.00000 0.00000 3.07000 17.93000 0.00000 -3.12000 0.00000 -1.29000 0.00000 0.00000 70.00000 PEX13_1JQQ-8_30.PDB -7.34000 -48.25000 -18.60000 -77.70000 -2.81000 97.29000 -99.24000 4.59000 42.94000 95.59000 0.00000 0.00000 0.00000 3.09000 17.98000 0.00000 -3.32000 0.00000 -0.91000 0.00000 0.00000 70.00000