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_1CKB-17_1.PDB 5.76564 -13.13000 -4.43000 -4.81000 -12.05000 -0.90000 12.75000 -15.20000 1.43000 8.09000 3.69000 0.00000 0.00000 0.00000 0.24000 0.76000 0.00000 -1.11000 0.00000 -0.81000 0.00000 2.38000 64.00000 PIN3_1CKB-17_2.PDB 5.96478 -13.93000 -5.19000 -5.12000 -12.27000 -1.16000 13.78000 -15.28000 1.64000 8.23000 3.68000 0.00000 0.00000 0.00000 0.20000 0.81000 0.00000 -1.47000 0.00000 -0.95000 0.00000 2.38000 64.00000 PIN3_1CKB-17_3.PDB 5.56101 -11.28000 -4.16000 -4.08000 -11.66000 -0.81000 12.55000 -14.74000 1.60000 7.61000 4.57000 0.00000 0.00000 0.00000 0.20000 0.58000 0.00000 -1.55000 0.00000 -0.80000 0.00000 2.38000 64.00000 PIN3_1CKB-17_4.PDB 4.96765 -12.40000 -4.42000 -5.10000 -12.56000 -0.83000 12.84000 -16.26000 2.68000 9.38000 3.78000 0.00000 0.00000 0.00000 0.21000 0.82000 0.00000 -1.34000 0.00000 -0.78000 0.00000 2.38000 64.00000 PIN3_1CKB-17_5.PDB 5.44417 -12.45000 -4.94000 -5.45000 -12.27000 -0.75000 13.86000 -15.36000 2.45000 7.82000 3.52000 0.00000 0.00000 0.00000 0.28000 0.71000 0.00000 -1.04000 0.00000 -0.56000 0.00000 2.38000 64.00000 PIN3_1CKB-17_6.PDB 5.90210 -13.56000 -3.73000 -4.31000 -11.51000 -0.76000 11.36000 -15.24000 1.56000 7.22000 3.27000 0.00000 0.00000 0.00000 0.22000 0.59000 0.00000 -0.95000 0.00000 -0.68000 0.00000 2.38000 64.00000 PIN3_1CKB-17_7.PDB 6.18269 -13.23000 -4.64000 -5.24000 -12.20000 -1.50000 14.01000 -15.39000 1.45000 8.82000 3.37000 0.00000 0.00000 0.00000 0.29000 0.80000 0.00000 -1.05000 0.00000 -1.15000 0.00000 2.38000 64.00000 PIN3_1CKB-17_8.PDB 4.55014 -10.42000 -3.76000 -4.10000 -11.29000 -0.94000 11.98000 -14.57000 1.53000 8.19000 4.78000 0.00000 0.00000 0.00000 0.18000 0.47000 0.00000 -1.54000 0.00000 -0.87000 0.00000 2.38000 64.00000 PIN3_1CKB-17_9.PDB 6.45651 -12.55000 -4.45000 -4.36000 -11.88000 -0.97000 12.72000 -14.86000 1.49000 7.95000 3.83000 0.00000 0.00000 0.00000 0.30000 0.65000 0.00000 -1.49000 0.00000 -0.84000 0.00000 2.38000 64.00000 PIN3_1CKB-17_10.PDB 5.19859 -15.26000 -4.50000 -5.07000 -12.55000 -1.40000 13.28000 -16.37000 1.46000 7.80000 3.42000 0.00000 0.00000 0.00000 0.46000 0.76000 0.00000 -0.78000 0.00000 -1.00000 0.00000 2.38000 64.00000 PIN3_1CKB-17_11.PDB 5.09465 -12.66000 -2.89000 -3.53000 -11.48000 -0.98000 11.14000 -15.11000 1.06000 6.46000 4.25000 0.00000 0.00000 0.00000 0.24000 0.64000 0.00000 -1.09000 0.00000 -0.75000 0.00000 2.38000 64.00000 PIN3_1CKB-17_12.PDB 6.49499 -14.42000 -5.16000 -5.16000 -12.20000 -1.62000 14.05000 -15.06000 1.29000 8.39000 3.42000 0.00000 0.00000 0.00000 0.30000 0.77000 0.00000 -1.50000 0.00000 -1.15000 0.00000 2.38000 64.00000 PIN3_1CKB-17_13.PDB 5.69413 -14.77000 -5.24000 -5.47000 -12.37000 -1.60000 13.98000 -15.42000 0.97000 8.59000 3.90000 0.00000 0.00000 0.00000 0.55000 0.80000 0.00000 -1.57000 0.00000 -1.08000 0.00000 2.38000 64.00000 PIN3_1CKB-17_14.PDB 4.94020 -13.37000 -4.15000 -4.12000 -12.22000 -1.46000 13.33000 -15.18000 1.06000 8.03000 3.84000 0.00000 0.00000 0.00000 0.22000 0.70000 0.00000 -1.68000 0.00000 -1.07000 0.00000 2.38000 64.00000 PIN3_1CKB-17_15.PDB 5.20013 -12.31000 -3.42000 -3.43000 -11.44000 -0.05000 11.09000 -15.31000 1.52000 6.29000 3.36000 0.00000 0.00000 0.00000 0.20000 0.79000 0.00000 -1.00000 0.00000 -0.13000 0.00000 2.38000 64.00000 PIN3_1CKB-17_16.PDB 5.57446 -12.60000 -4.29000 -4.26000 -11.93000 -0.83000 12.36000 -15.34000 1.79000 8.22000 3.44000 0.00000 0.00000 0.00000 0.23000 0.78000 0.00000 -1.21000 0.00000 -0.76000 0.00000 2.38000 64.00000 PIN3_1CKB-17_17.PDB 5.88615 -16.12000 -5.14000 -5.63000 -13.25000 -2.65000 15.11000 -16.29000 1.51000 8.38000 3.87000 0.00000 0.00000 0.00000 0.20000 1.10000 0.00000 -0.93000 0.00000 -1.28000 0.00000 2.38000 64.00000 PIN3_1CKB-17_18.PDB 5.36641 -14.18000 -4.53000 -4.51000 -12.09000 -0.79000 12.34000 -15.39000 0.79000 7.98000 3.47000 0.00000 0.00000 0.00000 0.23000 0.80000 0.00000 -1.16000 0.00000 -0.53000 0.00000 2.38000 64.00000 PIN3_1CKB-17_19.PDB 5.36779 -14.81000 -4.54000 -4.52000 -12.22000 -1.74000 13.05000 -15.17000 0.75000 8.49000 3.62000 0.00000 0.00000 0.00000 0.34000 0.81000 0.00000 -1.62000 0.00000 -1.25000 0.00000 2.38000 64.00000 PIN3_1CKB-17_20.PDB 4.60589 -13.04000 -4.21000 -4.18000 -11.70000 -1.11000 12.30000 -14.80000 0.48000 7.71000 3.85000 0.00000 0.00000 0.00000 0.49000 0.82000 0.00000 -1.04000 0.00000 -0.83000 0.00000 2.38000 64.00000 PIN3_1CKB-17_21.PDB 4.12191 -12.52000 -3.01000 -3.01000 -11.34000 -0.85000 11.39000 -14.79000 1.40000 6.06000 3.35000 0.00000 0.00000 0.00000 0.28000 0.66000 0.00000 -1.44000 0.00000 -0.57000 0.00000 2.38000 64.00000 PIN3_1CKB-17_22.PDB 3.42241 -10.55000 -2.76000 -2.76000 -10.62000 -0.29000 10.65000 -14.07000 1.01000 5.38000 4.26000 0.00000 0.00000 0.00000 0.19000 0.50000 0.00000 -1.26000 0.00000 -0.27000 0.00000 2.38000 64.00000 PIN3_1CKB-17_23.PDB 5.52877 -12.82000 -4.61000 -4.55000 -11.67000 -1.41000 13.13000 -14.99000 0.91000 8.52000 4.02000 0.00000 0.00000 0.00000 0.23000 0.68000 0.00000 -1.28000 0.00000 -1.13000 0.00000 2.38000 64.00000 PIN3_1CKB-17_24.PDB 4.10861 -11.13000 -4.84000 -4.73000 -12.50000 -1.34000 14.10000 -15.68000 3.22000 8.76000 3.88000 0.00000 0.00000 0.00000 0.21000 0.74000 0.00000 -1.22000 0.00000 -0.99000 0.00000 2.38000 64.00000 PIN3_1CKB-17_25.PDB 5.88897 -16.06000 -4.27000 -4.87000 -13.36000 -3.21000 14.79000 -16.37000 1.02000 8.51000 3.99000 0.00000 0.00000 0.00000 0.28000 1.10000 0.00000 -0.87000 0.00000 -1.68000 0.00000 2.38000 64.00000 PIN3_1CKB-17_26.PDB 4.98624 -14.68000 -4.62000 -5.86000 -13.22000 -3.24000 15.92000 -15.99000 1.71000 8.57000 4.31000 0.00000 0.00000 0.00000 0.19000 1.06000 0.00000 -0.82000 0.00000 -1.63000 0.00000 2.38000 64.00000 PIN3_1CKB-17_27.PDB 5.51854 -12.29000 -5.01000 -5.66000 -12.75000 -0.69000 14.02000 -16.44000 3.04000 8.99000 3.69000 0.00000 0.00000 0.00000 0.26000 0.88000 0.00000 -1.14000 0.00000 -0.58000 0.00000 2.38000 64.00000 PIN3_1CKB-17_28.PDB 5.04388 -13.61000 -3.63000 -3.62000 -12.21000 -0.92000 11.79000 -16.39000 1.65000 8.12000 3.22000 0.00000 0.00000 0.00000 0.24000 0.69000 0.00000 -1.07000 0.00000 -0.78000 0.00000 2.38000 64.00000 PIN3_1CKB-17_29.PDB 5.10309 -13.39000 -3.58000 -4.18000 -11.60000 -0.55000 11.44000 -15.28000 1.70000 6.97000 3.23000 0.00000 0.00000 0.00000 0.26000 0.61000 0.00000 -1.31000 0.00000 -0.48000 0.00000 2.38000 64.00000 PIN3_1CKB-17_30.PDB 4.69642 -12.98000 -3.83000 -3.60000 -11.57000 -1.28000 12.19000 -15.43000 1.58000 7.35000 3.41000 0.00000 0.00000 0.00000 0.20000 0.75000 0.00000 -1.03000 0.00000 -0.97000 0.00000 2.38000 64.00000