name Intraclash total energy Backbone Hbond 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-20_1.PDB 3.51715 -12.08000 -1.51000 -6.94000 -9.26000 -1.49000 10.43000 -11.79000 0.72000 7.35000 2.15000 0.00000 0.00000 0.00000 0.41000 0.52000 0.00000 -0.58000 0.00000 -1.55000 0.00000 2.38000 71.00000 PEX13_1JQQ-20_2.PDB 2.84705 -13.65000 -2.41000 -8.10000 -9.56000 -1.61000 11.97000 -12.22000 0.53000 7.26000 2.60000 0.00000 0.00000 0.00000 0.41000 0.55000 0.00000 -0.75000 0.00000 -1.78000 0.00000 2.38000 71.00000 PEX13_1JQQ-20_3.PDB 3.68716 -10.89000 -1.51000 -5.76000 -9.48000 -1.67000 11.37000 -11.70000 0.51000 6.90000 2.52000 0.00000 0.00000 0.00000 0.42000 0.50000 0.00000 -0.73000 0.00000 -1.78000 0.00000 2.38000 71.00000 PEX13_1JQQ-20_4.PDB 2.83245 -11.73000 -1.62000 -7.60000 -9.19000 -1.69000 10.86000 -11.19000 1.10000 6.99000 3.20000 0.00000 0.00000 0.00000 0.05000 0.54000 0.00000 -0.81000 0.00000 -1.84000 0.00000 2.38000 71.00000 PEX13_1JQQ-20_5.PDB 3.39671 -11.91000 -1.72000 -6.24000 -9.28000 -1.76000 10.38000 -11.99000 0.56000 7.81000 2.58000 0.00000 0.00000 0.00000 0.42000 0.56000 0.00000 -0.82000 0.00000 -1.84000 0.00000 2.38000 71.00000 PEX13_1JQQ-20_6.PDB 3.06689 -12.79000 -1.68000 -4.24000 -9.51000 -1.41000 9.25000 -12.90000 0.82000 6.56000 2.15000 0.00000 0.00000 0.00000 0.41000 0.66000 0.00000 -0.74000 0.00000 -1.49000 0.00000 2.38000 71.00000 PEX13_1JQQ-20_7.PDB 3.42382 -11.13000 -1.81000 -5.19000 -9.50000 -1.62000 10.34000 -11.96000 1.20000 6.78000 2.69000 0.00000 0.00000 0.00000 0.40000 0.51000 0.00000 -0.74000 0.00000 -1.71000 0.00000 2.38000 71.00000 PEX13_1JQQ-20_8.PDB 1.89109 -12.55000 -1.67000 -6.39000 -9.25000 -1.75000 10.33000 -11.93000 1.05000 6.74000 2.85000 0.00000 0.00000 0.00000 0.08000 0.53000 0.00000 -0.81000 0.00000 -1.79000 0.00000 2.38000 71.00000 PEX13_1JQQ-20_9.PDB 2.63990 -12.33000 -1.77000 -4.44000 -10.16000 -2.29000 10.85000 -12.98000 2.23000 6.56000 2.21000 0.00000 0.00000 0.00000 0.44000 0.60000 0.00000 -0.94000 0.00000 -2.03000 0.00000 2.38000 71.00000 PEX13_1JQQ-20_10.PDB 2.18201 -11.78000 -1.54000 -5.82000 -9.29000 -1.22000 10.32000 -12.20000 0.49000 6.38000 2.95000 0.00000 0.00000 0.00000 0.09000 0.59000 0.00000 -0.58000 0.00000 -1.36000 0.00000 2.38000 71.00000 PEX13_1JQQ-20_11.PDB 3.03102 -13.11000 -1.46000 -4.14000 -10.08000 -2.15000 10.40000 -13.16000 1.37000 6.26000 2.44000 0.00000 0.00000 0.00000 0.39000 0.76000 0.00000 -0.98000 0.00000 -2.00000 0.00000 2.38000 71.00000 PEX13_1JQQ-20_12.PDB 4.77561 -11.77000 -2.69000 -7.00000 -10.99000 -1.39000 12.43000 -13.38000 2.28000 7.82000 3.78000 0.00000 0.00000 0.00000 0.28000 0.80000 0.00000 -1.35000 0.00000 -1.55000 0.00000 2.38000 71.00000 PEX13_1JQQ-20_13.PDB 3.67053 -11.90000 -1.60000 -5.66000 -9.25000 -1.36000 9.91000 -11.99000 0.69000 6.62000 2.60000 0.00000 0.00000 0.00000 0.45000 0.49000 0.00000 -0.81000 0.00000 -1.51000 0.00000 2.38000 71.00000 PEX13_1JQQ-20_14.PDB 3.13736 -11.11000 -1.70000 -4.64000 -9.58000 -1.64000 10.08000 -12.81000 1.60000 7.15000 2.35000 0.00000 0.00000 0.00000 0.41000 0.46000 0.00000 -0.61000 0.00000 -1.74000 0.00000 2.38000 71.00000 PEX13_1JQQ-20_15.PDB 2.99708 -11.65000 -1.78000 -4.84000 -9.76000 -1.56000 10.34000 -12.93000 1.08000 7.11000 2.47000 0.00000 0.00000 0.00000 0.43000 0.72000 0.00000 -0.56000 0.00000 -1.63000 0.00000 2.38000 71.00000 PEX13_1JQQ-20_16.PDB 3.68747 -9.95000 -1.61000 -6.52000 -10.15000 -1.74000 10.84000 -13.11000 2.46000 8.59000 4.00000 0.00000 0.00000 0.00000 0.23000 0.63000 0.00000 -1.13000 0.00000 -1.80000 0.00000 2.38000 71.00000 PEX13_1JQQ-20_17.PDB 2.94081 -11.42000 -1.63000 -4.14000 -9.95000 -1.55000 10.35000 -12.95000 1.30000 6.61000 2.39000 0.00000 0.00000 0.00000 0.46000 0.69000 0.00000 -0.62000 0.00000 -1.68000 0.00000 2.38000 71.00000 PEX13_1JQQ-20_18.PDB 4.01838 -11.11000 -1.56000 -7.56000 -10.24000 -1.64000 11.70000 -12.46000 1.53000 8.11000 3.36000 0.00000 0.00000 0.00000 0.18000 0.68000 0.00000 -0.79000 0.00000 -1.73000 0.00000 2.38000 71.00000 PEX13_1JQQ-20_19.PDB 3.07978 -12.78000 -2.49000 -7.15000 -9.90000 -2.37000 12.20000 -12.06000 0.72000 8.25000 2.57000 0.00000 0.00000 0.00000 0.43000 0.62000 0.00000 -0.78000 0.00000 -2.20000 0.00000 2.38000 71.00000 PEX13_1JQQ-20_20.PDB 2.29249 -9.43000 -1.60000 -5.92000 -9.58000 -1.52000 11.32000 -11.53000 1.03000 8.23000 2.53000 0.00000 0.00000 0.00000 0.20000 0.66000 0.00000 -0.97000 0.00000 -1.62000 0.00000 2.38000 71.00000 PEX13_1JQQ-20_21.PDB 2.76941 -13.20000 -2.65000 -5.49000 -10.10000 -2.87000 11.88000 -12.13000 1.09000 7.89000 2.58000 0.00000 0.00000 0.00000 0.19000 0.65000 0.00000 -1.24000 0.00000 -2.35000 0.00000 2.38000 71.00000 PEX13_1JQQ-20_22.PDB 4.62872 -9.91000 -0.78000 -6.00000 -9.81000 -1.71000 10.82000 -12.04000 2.12000 6.76000 3.55000 0.00000 0.00000 0.00000 0.21000 0.60000 0.00000 -1.26000 0.00000 -1.77000 0.00000 2.38000 71.00000 PEX13_1JQQ-20_23.PDB 2.94411 -13.99000 -3.16000 -6.23000 -11.23000 -2.88000 13.45000 -13.59000 0.98000 8.74000 2.89000 0.00000 0.00000 0.00000 0.51000 0.94000 0.00000 -1.17000 0.00000 -2.28000 0.00000 2.38000 71.00000 PEX13_1JQQ-20_24.PDB 2.77221 -9.56000 -0.87000 -6.74000 -8.42000 -1.23000 9.92000 -10.52000 0.71000 6.45000 3.38000 0.00000 0.00000 0.00000 0.06000 0.28000 0.00000 -0.86000 0.00000 -1.44000 0.00000 2.38000 71.00000 PEX13_1JQQ-20_25.PDB 2.27492 -11.21000 -1.67000 -8.46000 -9.98000 -2.37000 13.03000 -11.33000 0.70000 8.61000 3.17000 0.00000 0.00000 0.00000 0.07000 0.58000 0.00000 -0.87000 0.00000 -2.13000 0.00000 2.38000 71.00000 PEX13_1JQQ-20_26.PDB 2.14591 -12.02000 -1.43000 -5.76000 -9.40000 -1.29000 10.54000 -12.29000 0.60000 6.14000 3.06000 0.00000 0.00000 0.00000 0.09000 0.65000 0.00000 -0.86000 0.00000 -1.41000 0.00000 2.38000 71.00000 PEX13_1JQQ-20_27.PDB 4.97890 -11.18000 -1.65000 -7.75000 -9.87000 -1.68000 11.08000 -12.47000 2.31000 8.15000 3.20000 0.00000 0.00000 0.00000 0.20000 0.67000 0.00000 -1.01000 0.00000 -1.68000 0.00000 2.38000 71.00000 PEX13_1JQQ-20_28.PDB 4.20193 -11.47000 -1.46000 -7.29000 -10.28000 -1.30000 10.93000 -13.20000 2.68000 7.58000 2.76000 0.00000 0.00000 0.00000 0.21000 0.69000 0.00000 -0.75000 0.00000 -1.35000 0.00000 2.38000 71.00000 PEX13_1JQQ-20_29.PDB 2.05541 -11.09000 -0.35000 -3.26000 -8.97000 -1.18000 8.46000 -12.45000 0.50000 5.56000 2.56000 0.00000 0.00000 0.00000 0.07000 0.45000 0.00000 -0.70000 0.00000 -1.33000 0.00000 2.38000 71.00000 PEX13_1JQQ-20_30.PDB 2.69654 -10.32000 -1.73000 -7.69000 -9.71000 -1.69000 12.10000 -11.00000 0.86000 8.46000 2.85000 0.00000 0.00000 0.00000 0.16000 0.59000 0.00000 -1.06000 0.00000 -1.87000 0.00000 2.38000 71.00000