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-14_1.PDB 2.48079 -11.42000 -1.12000 -1.16000 -9.11000 -0.26000 7.12000 -13.70000 0.12000 4.78000 2.72000 0.00000 0.00000 0.00000 0.02000 0.89000 0.00000 -0.40000 0.00000 -0.41000 0.00000 2.38000 64.00000 PIN3_1CKB-14_2.PDB 2.63663 -10.29000 -1.08000 -1.18000 -8.67000 -0.03000 6.81000 -13.06000 0.14000 4.50000 2.62000 0.00000 0.00000 0.00000 0.03000 1.07000 0.00000 -0.29000 0.00000 -0.09000 0.00000 2.38000 64.00000 PIN3_1CKB-14_3.PDB 2.80352 -12.50000 -1.37000 -1.75000 -9.85000 -0.30000 7.56000 -14.66000 0.13000 5.67000 2.76000 0.00000 0.00000 0.00000 0.07000 1.13000 0.00000 -0.34000 0.00000 -0.41000 0.00000 2.38000 64.00000 PIN3_1CKB-14_4.PDB 2.69106 -11.37000 -1.11000 -2.03000 -9.25000 -0.36000 7.73000 -13.73000 0.39000 5.22000 2.60000 0.00000 0.00000 0.00000 0.04000 0.87000 0.00000 -0.35000 0.00000 -0.50000 0.00000 2.38000 64.00000 PIN3_1CKB-14_5.PDB 2.61873 -11.47000 -1.13000 -1.23000 -10.19000 -0.24000 7.85000 -14.81000 0.82000 5.42000 2.92000 0.00000 0.00000 0.00000 0.06000 1.12000 0.00000 -0.55000 0.00000 -0.39000 0.00000 2.38000 64.00000 PIN3_1CKB-14_6.PDB 2.72501 -11.90000 -1.04000 -1.55000 -10.49000 -0.32000 8.42000 -15.06000 0.19000 5.73000 3.18000 0.00000 0.00000 0.00000 0.07000 1.20000 0.00000 -0.60000 0.00000 -0.42000 0.00000 2.38000 64.00000 PIN3_1CKB-14_7.PDB 2.71063 -10.76000 -1.06000 -1.24000 -9.28000 -0.13000 7.35000 -13.50000 0.25000 4.85000 2.72000 0.00000 0.00000 0.00000 0.05000 1.09000 0.00000 -0.53000 0.00000 -0.23000 0.00000 2.38000 64.00000 PIN3_1CKB-14_8.PDB 2.61396 -10.64000 -1.08000 -1.25000 -9.51000 -0.01000 7.54000 -13.75000 0.25000 4.93000 2.75000 0.00000 0.00000 0.00000 0.06000 1.15000 0.00000 -0.52000 0.00000 -0.06000 0.00000 2.38000 64.00000 PIN3_1CKB-14_9.PDB 2.88555 -11.83000 -1.05000 -1.38000 -9.37000 -0.51000 7.73000 -14.15000 0.11000 5.00000 2.90000 0.00000 0.00000 0.00000 0.05000 1.10000 0.00000 -0.45000 0.00000 -0.70000 0.00000 2.38000 64.00000 PIN3_1CKB-14_10.PDB 2.72790 -11.77000 -1.14000 -1.16000 -9.67000 -0.14000 6.58000 -14.82000 1.04000 5.19000 2.86000 0.00000 0.00000 0.00000 0.04000 1.06000 0.00000 -0.25000 0.00000 -0.31000 0.00000 2.38000 64.00000 PIN3_1CKB-14_11.PDB 2.48115 -12.30000 -1.07000 -1.95000 -10.27000 -0.52000 8.73000 -14.87000 0.13000 5.76000 3.08000 0.00000 0.00000 0.00000 0.05000 1.26000 0.00000 -0.68000 0.00000 -0.70000 0.00000 2.38000 64.00000 PIN3_1CKB-14_12.PDB 3.63308 -11.31000 -1.05000 -1.23000 -9.64000 -0.22000 7.74000 -13.98000 0.16000 4.89000 2.81000 0.00000 0.00000 0.00000 0.07000 1.32000 0.00000 -0.52000 0.00000 -0.34000 0.00000 2.38000 64.00000 PIN3_1CKB-14_13.PDB 2.55515 -11.39000 -1.14000 -1.97000 -9.24000 -0.40000 7.87000 -13.75000 0.07000 5.37000 2.78000 0.00000 0.00000 0.00000 0.03000 0.98000 0.00000 -0.44000 0.00000 -0.57000 0.00000 2.38000 64.00000 PIN3_1CKB-14_14.PDB 2.89597 -11.58000 -1.08000 -2.01000 -9.51000 -0.40000 8.04000 -14.26000 0.24000 5.51000 2.87000 0.00000 0.00000 0.00000 0.05000 1.14000 0.00000 -0.46000 0.00000 -0.57000 0.00000 2.38000 64.00000 PIN3_1CKB-14_15.PDB 2.74617 -11.35000 -1.12000 -1.17000 -9.79000 -0.00000 7.27000 -14.67000 0.73000 5.09000 2.76000 0.00000 0.00000 0.00000 0.04000 1.21000 0.00000 -0.34000 0.00000 -0.16000 0.00000 2.38000 64.00000 PIN3_1CKB-14_16.PDB 2.78553 -9.01000 -1.08000 -1.25000 -9.27000 -0.49000 8.51000 -13.00000 0.93000 4.77000 3.23000 0.00000 0.00000 0.00000 0.03000 1.47000 0.00000 -0.93000 0.00000 -0.46000 0.00000 2.38000 64.00000 PIN3_1CKB-14_17.PDB 2.61520 -10.35000 -1.11000 -1.15000 -9.60000 -0.05000 7.65000 -14.07000 0.57000 5.11000 2.87000 0.00000 0.00000 0.00000 0.06000 1.02000 0.00000 -0.46000 0.00000 -0.18000 0.00000 2.38000 64.00000 PIN3_1CKB-14_18.PDB 2.91734 -10.26000 -1.04000 -1.89000 -9.56000 -0.50000 8.18000 -13.85000 0.49000 5.66000 3.24000 0.00000 0.00000 0.00000 0.06000 1.05000 0.00000 -0.46000 0.00000 -0.59000 0.00000 2.38000 64.00000 PIN3_1CKB-14_19.PDB 2.50024 -9.26000 -1.06000 -1.42000 -8.70000 -0.48000 8.35000 -12.61000 0.24000 4.84000 2.65000 0.00000 0.00000 0.00000 0.02000 1.04000 0.00000 -0.48000 0.00000 -0.60000 0.00000 2.38000 64.00000 PIN3_1CKB-14_20.PDB 2.76371 -9.76000 -1.09000 -1.17000 -9.91000 0.08000 7.87000 -14.71000 1.15000 5.18000 3.16000 0.00000 0.00000 0.00000 0.05000 1.05000 0.00000 -0.31000 0.00000 -0.05000 0.00000 2.38000 64.00000 PIN3_1CKB-14_21.PDB 2.52474 -11.56000 -1.13000 -2.27000 -9.06000 0.01000 7.01000 -13.45000 0.21000 5.09000 2.57000 0.00000 0.00000 0.00000 0.02000 0.91000 0.00000 -0.44000 0.00000 -0.14000 0.00000 2.38000 64.00000 PIN3_1CKB-14_22.PDB 2.61859 -11.06000 -1.14000 -1.85000 -9.13000 -0.45000 7.25000 -13.64000 1.03000 5.10000 2.69000 0.00000 0.00000 0.00000 0.03000 0.97000 0.00000 -0.36000 0.00000 -0.58000 0.00000 2.38000 64.00000 PIN3_1CKB-14_23.PDB 2.57115 -10.65000 -1.06000 -1.14000 -8.36000 -0.18000 6.51000 -12.61000 0.17000 4.19000 2.43000 0.00000 0.00000 0.00000 0.02000 0.90000 0.00000 -0.34000 0.00000 -0.28000 0.00000 2.38000 64.00000 PIN3_1CKB-14_24.PDB 2.86269 -9.92000 -1.06000 -1.72000 -8.37000 0.01000 6.84000 -12.52000 0.13000 4.56000 2.60000 0.00000 0.00000 0.00000 0.03000 0.90000 0.00000 -0.38000 0.00000 -0.05000 0.00000 2.38000 64.00000 PIN3_1CKB-14_25.PDB 2.69246 -11.76000 -1.07000 -1.17000 -9.46000 -0.11000 7.06000 -14.29000 0.11000 4.82000 2.90000 0.00000 0.00000 0.00000 0.04000 1.11000 0.00000 -0.36000 0.00000 -0.23000 0.00000 2.38000 64.00000 PIN3_1CKB-14_26.PDB 2.95197 -12.23000 -1.09000 -1.16000 -9.62000 -0.04000 6.74000 -14.70000 0.14000 4.99000 2.89000 0.00000 0.00000 0.00000 0.06000 1.06000 0.00000 -0.30000 0.00000 -0.13000 0.00000 2.38000 64.00000 PIN3_1CKB-14_27.PDB 3.33799 -11.35000 -1.12000 -1.98000 -9.57000 -0.63000 8.20000 -13.68000 0.23000 5.76000 2.83000 0.00000 0.00000 0.00000 0.13000 1.10000 0.00000 -0.78000 0.00000 -0.73000 0.00000 2.38000 64.00000 PIN3_1CKB-14_28.PDB 3.80983 -11.53000 -1.12000 -1.16000 -9.39000 -0.84000 7.69000 -13.70000 0.16000 5.41000 2.74000 0.00000 0.00000 0.00000 0.11000 1.10000 0.00000 -0.62000 0.00000 -0.80000 0.00000 2.38000 64.00000 PIN3_1CKB-14_29.PDB 2.72533 -11.09000 -1.16000 -1.23000 -10.76000 -0.85000 9.40000 -15.03000 1.22000 5.83000 3.11000 0.00000 0.00000 0.00000 0.05000 1.12000 0.00000 -0.95000 0.00000 -0.71000 0.00000 2.38000 64.00000 PIN3_1CKB-14_30.PDB 3.04664 -10.44000 -1.07000 -1.22000 -9.73000 -0.51000 8.50000 -13.66000 0.25000 5.02000 2.90000 0.00000 0.00000 0.00000 0.02000 1.21000 0.00000 -0.49000 0.00000 -0.46000 0.00000 2.38000 64.00000