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 PIN3_1ZX6-9_1.PDB 1.36739 -6.67000 -0.69000 -0.62000 -7.40000 -0.13000 5.75000 -10.59000 2.18000 3.54000 1.58000 0.00000 0.00000 0.00000 0.01000 0.74000 0.00000 -0.39000 0.00000 0.11000 0.00000 2.38000 64.00000 PIN3_1ZX6-9_2.PDB 1.17207 -4.74000 -0.68000 -0.62000 -7.32000 0.36000 6.51000 -10.03000 2.33000 3.00000 1.73000 0.00000 0.00000 0.00000 0.16000 0.70000 0.00000 -0.55000 0.00000 0.37000 0.00000 2.38000 64.00000 PIN3_1ZX6-9_3.PDB 1.47292 -8.21000 -0.70000 -0.62000 -7.82000 -0.11000 5.60000 -11.40000 1.96000 3.79000 1.61000 0.00000 0.00000 0.00000 0.02000 0.72000 0.00000 -0.37000 0.00000 -0.17000 0.00000 2.38000 64.00000 PIN3_1ZX6-9_4.PDB 1.85394 -5.52000 -0.05000 -0.00000 -6.92000 -0.03000 5.97000 -9.78000 1.07000 3.07000 1.57000 0.00000 0.00000 0.00000 0.05000 0.71000 0.00000 -0.72000 0.00000 0.25000 0.00000 2.38000 64.00000 PIN3_1ZX6-9_5.PDB 1.99498 -7.38000 -0.69000 -0.62000 -7.85000 -0.19000 5.95000 -11.28000 2.03000 3.89000 1.69000 0.00000 0.00000 0.00000 0.01000 0.78000 0.00000 -0.43000 0.00000 0.11000 0.00000 2.38000 64.00000 PIN3_1ZX6-9_6.PDB 2.24565 -5.52000 -0.07000 -0.00000 -7.21000 0.14000 6.16000 -10.17000 1.14000 3.12000 1.67000 0.00000 0.00000 0.00000 0.10000 0.77000 0.00000 -0.76000 0.00000 0.35000 0.00000 2.38000 64.00000 PIN3_1ZX6-9_7.PDB 1.68757 -4.61000 -0.04000 -1.35000 -6.47000 0.14000 5.91000 -9.03000 1.07000 3.22000 2.29000 0.00000 0.00000 0.00000 0.09000 0.68000 0.00000 -0.68000 0.00000 0.25000 0.00000 2.38000 64.00000 PIN3_1ZX6-9_8.PDB 1.21848 -7.25000 -0.69000 -0.62000 -7.35000 -0.04000 5.45000 -10.56000 2.01000 3.37000 1.49000 0.00000 0.00000 0.00000 0.03000 0.71000 0.00000 -0.38000 0.00000 0.04000 0.00000 2.38000 64.00000 PIN3_1ZX6-9_9.PDB 1.67726 -7.56000 -0.70000 -0.62000 -7.76000 -0.08000 5.48000 -11.28000 1.98000 3.78000 2.08000 0.00000 0.00000 0.00000 0.05000 0.74000 0.00000 -0.39000 0.00000 -0.12000 0.00000 2.38000 64.00000 PIN3_1ZX6-9_10.PDB 0.85793 -5.49000 -0.05000 0.00000 -6.80000 0.23000 5.71000 -9.67000 1.23000 2.72000 1.43000 0.00000 0.00000 0.00000 0.07000 0.72000 0.00000 -0.66000 0.00000 0.32000 0.00000 2.38000 64.00000 PIN3_1ZX6-9_11.PDB 1.57339 -4.26000 -0.67000 -0.62000 -7.75000 0.08000 7.29000 -10.52000 2.51000 3.63000 1.96000 0.00000 0.00000 0.00000 0.05000 0.63000 0.00000 -0.57000 0.00000 0.35000 0.00000 2.38000 64.00000 PIN3_1ZX6-9_12.PDB 1.79157 -7.35000 -0.70000 -0.62000 -8.02000 -0.08000 5.96000 -11.46000 2.27000 3.94000 1.74000 0.00000 0.00000 0.00000 0.08000 0.90000 0.00000 -0.41000 0.00000 -0.05000 0.00000 2.38000 64.00000 PIN3_1ZX6-9_13.PDB 1.16190 -3.33000 -0.67000 -0.62000 -6.70000 0.16000 6.57000 -9.09000 2.47000 3.06000 1.62000 0.00000 0.00000 0.00000 0.13000 0.63000 0.00000 -0.53000 0.00000 0.26000 0.00000 2.38000 64.00000 PIN3_1ZX6-9_14.PDB 0.95979 -6.48000 -0.69000 -0.62000 -6.79000 -0.06000 5.16000 -9.84000 2.13000 3.22000 1.35000 0.00000 0.00000 0.00000 0.06000 0.67000 0.00000 -0.32000 0.00000 -0.07000 0.00000 2.38000 64.00000 PIN3_1ZX6-9_15.PDB 0.94439 -7.27000 -0.68000 -0.62000 -6.88000 -0.19000 5.05000 -10.08000 1.90000 3.49000 1.36000 0.00000 0.00000 0.00000 0.05000 0.64000 0.00000 -0.37000 0.00000 -0.29000 0.00000 2.38000 64.00000 PIN3_1ZX6-9_16.PDB 1.45871 -3.65000 -0.66000 -0.62000 -6.99000 0.34000 6.76000 -9.45000 2.38000 3.71000 1.41000 0.00000 0.00000 0.00000 0.06000 0.62000 0.00000 -0.89000 0.00000 0.31000 0.00000 2.38000 64.00000 PIN3_1ZX6-9_17.PDB 1.05675 -3.52000 -0.64000 -0.62000 -6.81000 -0.11000 6.78000 -9.13000 2.42000 3.41000 1.42000 0.00000 0.00000 0.00000 0.08000 0.61000 0.00000 -0.44000 0.00000 0.14000 0.00000 2.38000 64.00000 PIN3_1ZX6-9_18.PDB 2.00128 -4.91000 -0.05000 -0.00000 -6.26000 0.20000 5.37000 -8.89000 1.18000 2.74000 1.39000 0.00000 0.00000 0.00000 0.10000 0.67000 0.00000 -0.90000 0.00000 0.21000 0.00000 2.38000 64.00000 PIN3_1ZX6-9_19.PDB 1.21402 -5.61000 -0.65000 -0.62000 -6.88000 -0.10000 5.27000 -9.85000 2.93000 3.40000 1.16000 0.00000 0.00000 0.00000 0.03000 0.68000 0.00000 -0.21000 0.00000 -0.10000 0.00000 2.38000 64.00000 PIN3_1ZX6-9_20.PDB 0.77279 -2.80000 -0.64000 -0.62000 -6.68000 -0.01000 6.76000 -8.91000 2.70000 3.36000 1.41000 0.00000 0.00000 0.00000 0.05000 0.56000 0.00000 -0.45000 0.00000 0.22000 0.00000 2.38000 64.00000 PIN3_1ZX6-9_21.PDB 1.31982 -6.43000 -0.66000 -0.62000 -7.42000 -0.25000 5.67000 -10.54000 2.68000 3.96000 1.27000 0.00000 0.00000 0.00000 0.03000 0.82000 0.00000 -0.28000 0.00000 -0.29000 0.00000 2.38000 64.00000 PIN3_1ZX6-9_22.PDB 0.95498 -6.83000 -0.68000 -0.62000 -6.78000 -0.12000 5.10000 -9.83000 2.02000 3.25000 1.36000 0.00000 0.00000 0.00000 0.04000 0.66000 0.00000 -0.40000 0.00000 -0.18000 0.00000 2.38000 64.00000 PIN3_1ZX6-9_23.PDB 1.30934 -6.49000 -0.66000 -0.62000 -7.03000 -0.15000 5.23000 -10.11000 2.62000 3.45000 1.15000 0.00000 0.00000 0.00000 0.03000 0.65000 0.00000 -0.20000 0.00000 -0.21000 0.00000 2.38000 64.00000 PIN3_1ZX6-9_24.PDB 1.65041 -4.92000 -0.07000 -0.00000 -6.49000 0.13000 5.67000 -9.20000 1.31000 2.79000 1.39000 0.00000 0.00000 0.00000 0.08000 0.71000 0.00000 -0.75000 0.00000 0.22000 0.00000 2.38000 64.00000 PIN3_1ZX6-9_25.PDB 1.11204 -7.10000 -0.69000 -0.62000 -7.43000 -0.03000 5.59000 -10.67000 2.07000 3.40000 1.75000 0.00000 0.00000 0.00000 0.05000 0.73000 0.00000 -0.49000 0.00000 -0.04000 0.00000 2.38000 64.00000 PIN3_1ZX6-9_26.PDB 1.25000 -5.14000 -0.06000 -0.00000 -6.58000 0.16000 5.83000 -9.25000 0.94000 2.65000 1.61000 0.00000 0.00000 0.00000 0.07000 0.70000 0.00000 -0.78000 0.00000 0.26000 0.00000 2.38000 64.00000 PIN3_1ZX6-9_27.PDB 1.33202 -6.19000 -0.70000 -0.62000 -7.27000 -0.29000 5.79000 -10.33000 2.05000 3.51000 2.06000 0.00000 0.00000 0.00000 0.01000 0.75000 0.00000 -0.39000 0.00000 -0.02000 0.00000 2.38000 64.00000 PIN3_1ZX6-9_28.PDB 1.48517 -7.72000 -0.69000 -0.62000 -7.45000 -0.13000 5.48000 -10.78000 1.89000 3.55000 1.74000 0.00000 0.00000 0.00000 0.01000 0.73000 0.00000 -0.52000 0.00000 -0.21000 0.00000 2.38000 64.00000 PIN3_1ZX6-9_29.PDB 1.04236 -5.17000 -0.68000 -0.63000 -7.33000 0.07000 6.93000 -9.84000 1.51000 3.29000 1.94000 0.00000 0.00000 0.00000 0.03000 0.60000 0.00000 -0.69000 0.00000 0.23000 0.00000 2.38000 64.00000 PIN3_1ZX6-9_30.PDB 1.36755 -4.62000 -0.05000 0.00000 -6.21000 0.19000 5.39000 -8.76000 0.99000 2.32000 1.80000 0.00000 0.00000 0.00000 0.09000 0.75000 0.00000 -0.62000 0.00000 0.23000 0.00000 2.38000 64.00000