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-15_1.PDB 3.26593 -10.27000 -2.98000 -4.23000 -9.34000 -0.89000 10.30000 -11.89000 0.18000 6.64000 3.47000 0.00000 0.00000 0.00000 0.02000 0.68000 0.00000 -0.96000 0.00000 -0.59000 0.00000 2.38000 64.00000 PIN3_1CKB-15_2.PDB 2.50650 -9.09000 -2.91000 -4.26000 -8.32000 -0.98000 9.15000 -10.46000 0.32000 6.65000 3.34000 0.00000 0.00000 0.00000 0.02000 0.53000 0.00000 -0.88000 0.00000 -0.76000 0.00000 2.38000 64.00000 PIN3_1CKB-15_3.PDB 3.67458 -9.70000 -3.02000 -4.45000 -9.14000 -0.98000 10.55000 -11.82000 0.23000 6.72000 3.34000 0.00000 0.00000 0.00000 0.03000 0.58000 0.00000 -0.48000 0.00000 -0.67000 0.00000 2.38000 64.00000 PIN3_1CKB-15_4.PDB 2.82289 -8.34000 -3.40000 -3.41000 -8.43000 -0.83000 9.61000 -10.52000 0.47000 6.42000 3.22000 0.00000 0.00000 0.00000 0.01000 0.44000 0.00000 -0.76000 0.00000 -0.73000 0.00000 2.38000 64.00000 PIN3_1CKB-15_5.PDB 3.41584 -10.26000 -3.17000 -3.87000 -9.32000 -0.83000 9.86000 -11.90000 0.15000 7.10000 2.95000 0.00000 0.00000 0.00000 0.02000 0.72000 0.00000 -0.57000 0.00000 -0.69000 0.00000 2.38000 64.00000 PIN3_1CKB-15_6.PDB 3.00948 -8.70000 -3.00000 -3.69000 -8.43000 -0.95000 9.97000 -10.45000 0.29000 6.04000 2.86000 0.00000 0.00000 0.00000 0.04000 0.52000 0.00000 -0.73000 0.00000 -0.65000 0.00000 2.38000 64.00000 PIN3_1CKB-15_7.PDB 2.92564 -8.41000 -3.22000 -4.48000 -8.19000 -0.71000 9.35000 -10.32000 0.30000 6.58000 3.89000 0.00000 0.00000 0.00000 0.02000 0.50000 0.00000 -1.08000 0.00000 -0.54000 0.00000 2.38000 64.00000 PIN3_1CKB-15_8.PDB 3.57610 -9.52000 -3.37000 -3.39000 -9.51000 -0.60000 9.98000 -12.06000 0.57000 6.84000 3.07000 0.00000 0.00000 0.00000 0.03000 0.67000 0.00000 -0.62000 0.00000 -0.48000 0.00000 2.38000 64.00000 PIN3_1CKB-15_9.PDB 4.26564 -11.27000 -3.29000 -3.95000 -9.96000 -0.84000 10.38000 -12.75000 0.20000 7.43000 2.88000 0.00000 0.00000 0.00000 0.21000 0.77000 0.00000 -1.01000 0.00000 -0.58000 0.00000 2.38000 64.00000 PIN3_1CKB-15_10.PDB 2.69766 -8.98000 -3.24000 -3.99000 -8.04000 -0.74000 9.21000 -10.12000 0.13000 5.74000 3.56000 0.00000 0.00000 0.00000 0.02000 0.41000 0.00000 -1.06000 0.00000 -0.45000 0.00000 2.38000 64.00000 PIN3_1CKB-15_11.PDB 2.76766 -8.85000 -3.33000 -4.02000 -8.39000 -0.91000 9.69000 -10.38000 0.32000 6.43000 3.30000 0.00000 0.00000 0.00000 0.02000 0.42000 0.00000 -0.88000 0.00000 -0.70000 0.00000 2.38000 64.00000 PIN3_1CKB-15_12.PDB 3.44266 -9.73000 -3.21000 -3.93000 -9.46000 -0.80000 10.33000 -11.93000 0.35000 7.09000 2.97000 0.00000 0.00000 0.00000 0.03000 0.67000 0.00000 -0.53000 0.00000 -0.64000 0.00000 2.38000 64.00000 PIN3_1CKB-15_13.PDB 3.17118 -10.05000 -3.32000 -3.31000 -9.50000 -0.66000 10.01000 -12.06000 0.15000 6.95000 2.85000 0.00000 0.00000 0.00000 0.02000 0.66000 0.00000 -0.65000 0.00000 -0.53000 0.00000 2.38000 64.00000 PIN3_1CKB-15_14.PDB 2.76553 -7.62000 -3.26000 -3.97000 -8.58000 -0.82000 9.95000 -10.56000 0.41000 6.55000 4.16000 0.00000 0.00000 0.00000 0.03000 0.46000 0.00000 -0.94000 0.00000 -0.59000 0.00000 2.38000 64.00000 PIN3_1CKB-15_15.PDB 3.45240 -8.27000 -3.33000 -3.96000 -8.20000 -0.64000 9.20000 -10.33000 0.21000 6.21000 3.95000 0.00000 0.00000 0.00000 0.01000 0.43000 0.00000 -0.86000 0.00000 -0.53000 0.00000 2.38000 64.00000 PIN3_1CKB-15_16.PDB 3.39330 -9.14000 -3.23000 -3.70000 -8.87000 -0.99000 10.66000 -11.09000 0.14000 6.14000 3.11000 0.00000 0.00000 0.00000 0.18000 0.57000 0.00000 -0.90000 0.00000 -0.59000 0.00000 2.38000 64.00000 PIN3_1CKB-15_17.PDB 2.29199 -8.34000 -2.92000 -3.70000 -8.73000 -0.65000 9.79000 -10.91000 0.40000 6.56000 2.70000 0.00000 0.00000 0.00000 0.02000 0.55000 0.00000 -0.37000 0.00000 -0.53000 0.00000 2.38000 64.00000 PIN3_1CKB-15_18.PDB 3.48370 -10.20000 -3.26000 -3.85000 -9.90000 -0.83000 10.97000 -12.18000 0.38000 6.84000 2.96000 0.00000 0.00000 0.00000 0.02000 0.72000 0.00000 -0.87000 0.00000 -0.48000 0.00000 2.38000 64.00000 PIN3_1CKB-15_19.PDB 4.39783 -10.50000 -3.38000 -3.34000 -9.55000 -0.56000 9.89000 -12.23000 0.26000 6.85000 2.74000 0.00000 0.00000 0.00000 0.21000 0.74000 0.00000 -0.98000 0.00000 -0.41000 0.00000 2.38000 64.00000 PIN3_1CKB-15_20.PDB 2.82673 -8.88000 -3.32000 -3.97000 -8.53000 -0.83000 9.67000 -10.58000 0.53000 6.27000 3.17000 0.00000 0.00000 0.00000 0.02000 0.53000 0.00000 -0.75000 0.00000 -0.58000 0.00000 2.38000 64.00000 PIN3_1CKB-15_21.PDB 2.73820 -7.90000 -3.38000 -4.02000 -8.06000 -0.44000 9.50000 -10.19000 0.14000 5.84000 3.71000 0.00000 0.00000 0.00000 0.03000 0.35000 0.00000 -0.71000 0.00000 -0.31000 0.00000 2.38000 64.00000 PIN3_1CKB-15_22.PDB 2.64129 -7.52000 -3.18000 -3.80000 -8.08000 -0.64000 9.44000 -10.33000 0.14000 6.14000 3.55000 0.00000 0.00000 0.00000 0.01000 0.46000 0.00000 -0.29000 0.00000 -0.49000 0.00000 2.38000 64.00000 PIN3_1CKB-15_23.PDB 3.58914 -8.32000 -3.37000 -3.39000 -8.61000 -0.48000 9.49000 -10.80000 0.35000 6.35000 2.99000 0.00000 0.00000 0.00000 0.16000 0.58000 0.00000 -0.72000 0.00000 -0.29000 0.00000 2.38000 64.00000 PIN3_1CKB-15_24.PDB 2.86302 -8.39000 -3.36000 -4.06000 -7.93000 -0.61000 8.95000 -10.08000 0.12000 6.12000 3.84000 0.00000 0.00000 0.00000 0.03000 0.43000 0.00000 -0.92000 0.00000 -0.47000 0.00000 2.38000 64.00000 PIN3_1CKB-15_25.PDB 3.87432 -8.56000 -3.28000 -4.66000 -8.86000 -0.76000 10.18000 -11.23000 0.11000 7.15000 3.89000 0.00000 0.00000 0.00000 0.14000 0.66000 0.00000 -0.62000 0.00000 -0.62000 0.00000 2.38000 64.00000 PIN3_1CKB-15_26.PDB 3.47648 -8.08000 -3.29000 -4.02000 -8.27000 -0.61000 9.30000 -10.40000 0.15000 6.50000 3.70000 0.00000 0.00000 0.00000 0.15000 0.48000 0.00000 -0.91000 0.00000 -0.39000 0.00000 2.38000 64.00000 PIN3_1CKB-15_27.PDB 4.12477 -8.39000 -3.45000 -4.02000 -9.01000 -0.68000 10.04000 -11.32000 0.23000 7.13000 3.84000 0.00000 0.00000 0.00000 0.09000 0.67000 0.00000 -0.64000 0.00000 -0.57000 0.00000 2.38000 64.00000 PIN3_1CKB-15_28.PDB 3.48078 -7.97000 -3.17000 -4.55000 -8.24000 -0.95000 10.05000 -10.27000 0.37000 6.35000 3.72000 0.00000 0.00000 0.00000 0.15000 0.43000 0.00000 -0.74000 0.00000 -0.68000 0.00000 2.38000 64.00000 PIN3_1CKB-15_29.PDB 3.68734 -9.56000 -3.11000 -4.50000 -9.99000 -1.01000 11.39000 -12.44000 0.16000 7.42000 3.92000 0.00000 0.00000 0.00000 0.10000 0.64000 0.00000 -0.80000 0.00000 -0.71000 0.00000 2.38000 64.00000 PIN3_1CKB-15_30.PDB 3.33959 -7.35000 -2.89000 -2.83000 -8.73000 -0.89000 10.01000 -10.73000 0.27000 6.19000 3.15000 0.00000 0.00000 0.00000 0.08000 0.43000 0.00000 -0.43000 0.00000 -0.56000 0.00000 2.38000 64.00000