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-19_1.PDB 4.78412 -8.90000 -0.97000 -2.71000 -10.51000 -0.40000 9.78000 -14.22000 0.40000 6.34000 4.29000 0.00000 0.00000 0.00000 0.08000 0.46000 0.00000 -0.53000 0.00000 -0.47000 0.00000 2.38000 64.00000 PIN3_1CKB-19_2.PDB 5.02396 -10.05000 -1.99000 -3.32000 -12.56000 -0.37000 12.08000 -16.50000 0.54000 8.26000 4.65000 0.00000 0.00000 0.00000 0.14000 0.77000 0.00000 -0.60000 0.00000 -0.38000 0.00000 2.38000 64.00000 PIN3_1CKB-19_3.PDB 4.90546 -9.51000 -1.42000 -2.85000 -11.17000 -0.31000 10.58000 -15.38000 0.68000 7.08000 4.35000 0.00000 0.00000 0.00000 0.09000 0.45000 0.00000 -0.84000 0.00000 -0.33000 0.00000 2.38000 64.00000 PIN3_1CKB-19_4.PDB 5.00880 -9.22000 -1.02000 -2.76000 -11.09000 -0.19000 9.74000 -15.68000 0.76000 6.55000 5.46000 0.00000 0.00000 0.00000 0.07000 0.60000 0.00000 -0.85000 0.00000 -0.22000 0.00000 2.38000 64.00000 PIN3_1CKB-19_5.PDB 5.00034 -9.03000 -1.59000 -3.31000 -11.70000 -0.68000 11.55000 -15.15000 0.54000 8.32000 4.31000 0.00000 0.00000 0.00000 0.06000 0.48000 0.00000 -0.62000 0.00000 -0.76000 0.00000 2.38000 64.00000 PIN3_1CKB-19_6.PDB 4.96233 -10.09000 -2.46000 -5.27000 -11.52000 -1.04000 12.05000 -14.50000 0.48000 9.33000 4.64000 0.00000 0.00000 0.00000 0.09000 0.40000 0.00000 -0.89000 0.00000 -1.01000 0.00000 2.38000 64.00000 PIN3_1CKB-19_7.PDB 4.81754 -8.43000 -1.36000 -2.74000 -10.48000 -0.47000 9.70000 -13.76000 0.54000 6.34000 4.93000 0.00000 0.00000 0.00000 0.09000 0.56000 0.00000 -0.65000 0.00000 -0.57000 0.00000 2.38000 64.00000 PIN3_1CKB-19_8.PDB 5.35016 -8.75000 -0.98000 -2.68000 -11.62000 -0.33000 10.39000 -15.60000 0.69000 7.70000 4.49000 0.00000 0.00000 0.00000 0.12000 0.65000 0.00000 -0.52000 0.00000 -0.39000 0.00000 2.38000 64.00000 PIN3_1CKB-19_9.PDB 4.71242 -9.40000 -0.99000 -3.89000 -10.31000 -0.90000 10.04000 -13.95000 0.26000 7.59000 4.88000 0.00000 0.00000 0.00000 0.07000 0.31000 0.00000 -1.26000 0.00000 -0.95000 0.00000 2.38000 64.00000 PIN3_1CKB-19_10.PDB 5.05839 -9.01000 -1.39000 -2.86000 -12.03000 -0.50000 11.58000 -15.67000 0.55000 8.18000 4.11000 0.00000 0.00000 0.00000 0.13000 0.61000 0.00000 -0.53000 0.00000 -0.57000 0.00000 2.38000 64.00000 PIN3_1CKB-19_11.PDB 4.77745 -8.30000 -1.59000 -3.29000 -10.87000 -0.25000 10.05000 -14.88000 0.66000 7.80000 4.87000 0.00000 0.00000 0.00000 0.07000 0.41000 0.00000 -0.57000 0.00000 -0.30000 0.00000 2.38000 64.00000 PIN3_1CKB-19_12.PDB 4.62281 -12.10000 -1.58000 -6.69000 -11.43000 -1.16000 13.15000 -15.27000 0.56000 7.70000 4.53000 0.00000 0.00000 0.00000 0.11000 0.63000 0.00000 -0.95000 0.00000 -1.07000 0.00000 2.38000 64.00000 PIN3_1CKB-19_13.PDB 4.80977 -8.81000 -0.97000 -3.91000 -11.62000 -0.27000 10.47000 -15.99000 0.76000 7.94000 5.69000 0.00000 0.00000 0.00000 0.07000 0.59000 0.00000 -0.61000 0.00000 -0.37000 0.00000 2.38000 64.00000 PIN3_1CKB-19_14.PDB 5.52127 -8.30000 -0.90000 -2.65000 -11.61000 -0.60000 10.88000 -15.52000 1.40000 7.90000 4.32000 0.00000 0.00000 0.00000 0.13000 0.70000 0.00000 -1.09000 0.00000 -0.58000 0.00000 2.38000 64.00000 PIN3_1CKB-19_15.PDB 4.73300 -9.19000 -0.98000 -4.04000 -10.76000 -0.61000 10.94000 -14.15000 0.50000 6.96000 4.16000 0.00000 0.00000 0.00000 0.11000 0.45000 0.00000 -0.66000 0.00000 -0.69000 0.00000 2.38000 64.00000 PIN3_1CKB-19_16.PDB 5.01810 -9.18000 -0.97000 -2.71000 -11.22000 -0.41000 10.85000 -15.06000 0.65000 6.78000 3.99000 0.00000 0.00000 0.00000 0.10000 0.54000 0.00000 -0.76000 0.00000 -0.41000 0.00000 2.38000 64.00000 PIN3_1CKB-19_17.PDB 4.30415 -9.56000 -2.09000 -3.34000 -11.46000 -0.70000 11.67000 -14.60000 0.47000 7.86000 4.25000 0.00000 0.00000 0.00000 0.07000 0.47000 0.00000 -0.88000 0.00000 -0.80000 0.00000 2.38000 64.00000 PIN3_1CKB-19_18.PDB 4.54553 -9.50000 -1.39000 -2.72000 -10.79000 -0.64000 10.29000 -14.20000 0.30000 7.04000 4.04000 0.00000 0.00000 0.00000 0.08000 0.40000 0.00000 -0.79000 0.00000 -0.73000 0.00000 2.38000 64.00000 PIN3_1CKB-19_19.PDB 5.27368 -9.17000 -2.75000 -4.17000 -11.84000 -1.38000 12.91000 -14.33000 0.66000 9.32000 4.40000 0.00000 0.00000 0.00000 0.07000 0.42000 0.00000 -0.74000 0.00000 -1.32000 0.00000 2.38000 64.00000 PIN3_1CKB-19_20.PDB 4.84459 -10.29000 -1.85000 -3.56000 -11.26000 -1.19000 10.91000 -14.42000 0.61000 8.12000 4.46000 0.00000 0.00000 0.00000 0.06000 0.86000 0.00000 -0.92000 0.00000 -1.24000 0.00000 2.38000 64.00000 PIN3_1CKB-19_21.PDB 4.88377 -8.69000 -1.05000 -2.48000 -10.42000 -0.27000 9.59000 -14.70000 0.54000 6.92000 4.23000 0.00000 0.00000 0.00000 0.08000 0.34000 0.00000 -0.80000 0.00000 -0.33000 0.00000 2.38000 64.00000 PIN3_1CKB-19_22.PDB 5.51460 -7.78000 -1.37000 -2.73000 -11.26000 -0.09000 9.93000 -15.78000 1.28000 7.42000 5.40000 0.00000 0.00000 0.00000 0.10000 0.64000 0.00000 -0.53000 0.00000 -0.15000 0.00000 2.38000 64.00000 PIN3_1CKB-19_23.PDB 4.34935 -8.97000 -1.03000 -2.76000 -10.22000 -0.33000 9.69000 -14.26000 0.58000 6.19000 4.14000 0.00000 0.00000 0.00000 0.06000 0.30000 0.00000 -0.63000 0.00000 -0.38000 0.00000 2.38000 64.00000 PIN3_1CKB-19_24.PDB 5.13370 -9.34000 -1.42000 -2.73000 -11.27000 -0.18000 10.93000 -15.55000 0.61000 6.85000 4.04000 0.00000 0.00000 0.00000 0.11000 0.58000 0.00000 -0.53000 0.00000 -0.19000 0.00000 2.38000 64.00000 PIN3_1CKB-19_25.PDB 4.86778 -8.50000 -1.42000 -2.82000 -10.97000 -0.52000 10.23000 -14.85000 0.47000 7.15000 5.25000 0.00000 0.00000 0.00000 0.09000 0.43000 0.00000 -0.52000 0.00000 -0.59000 0.00000 2.38000 64.00000 PIN3_1CKB-19_26.PDB 5.09424 -13.70000 -3.94000 -9.19000 -12.60000 -1.90000 16.04000 -15.56000 0.97000 10.75000 4.15000 0.00000 0.00000 0.00000 0.13000 0.49000 0.00000 -0.95000 0.00000 -1.61000 0.00000 2.38000 64.00000 PIN3_1CKB-19_27.PDB 4.76285 -8.00000 -1.36000 -2.71000 -10.57000 -0.63000 10.01000 -13.79000 0.38000 7.03000 5.03000 0.00000 0.00000 0.00000 0.06000 0.44000 0.00000 -0.67000 0.00000 -0.77000 0.00000 2.38000 64.00000 PIN3_1CKB-19_28.PDB 4.59831 -9.75000 -1.02000 -2.71000 -11.29000 -0.58000 10.53000 -14.95000 0.46000 6.96000 4.34000 0.00000 0.00000 0.00000 0.05000 0.49000 0.00000 -0.90000 0.00000 -0.63000 0.00000 2.38000 64.00000 PIN3_1CKB-19_29.PDB 4.53673 -9.54000 -1.42000 -2.76000 -11.28000 -0.36000 10.70000 -15.27000 0.69000 7.13000 4.15000 0.00000 0.00000 0.00000 0.09000 0.56000 0.00000 -0.78000 0.00000 -0.43000 0.00000 2.38000 64.00000 PIN3_1CKB-19_30.PDB 4.68095 -10.31000 -3.04000 -4.14000 -13.02000 -0.98000 13.45000 -16.59000 0.70000 9.94000 5.04000 0.00000 0.00000 0.00000 0.10000 0.62000 0.00000 -0.84000 0.00000 -0.92000 0.00000 2.38000 64.00000