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_1CKA-14_1.PDB 6.20278 -9.26000 -1.02000 -2.27000 -8.37000 -0.72000 7.16000 -12.20000 1.22000 5.73000 2.31000 0.00000 0.00000 0.00000 0.16000 0.72000 0.00000 -0.56000 0.00000 -0.69000 0.00000 2.38000 64.00000 PIN3_1CKA-14_2.PDB 6.68695 -10.30000 -1.03000 -1.94000 -8.83000 -1.03000 7.96000 -12.43000 0.68000 5.34000 2.31000 0.00000 0.00000 0.00000 0.20000 0.84000 0.00000 -0.61000 0.00000 -0.93000 0.00000 2.38000 64.00000 PIN3_1CKA-14_3.PDB 9.99986 -11.85000 -1.10000 -2.76000 -9.76000 -2.29000 9.31000 -13.19000 0.85000 6.03000 2.62000 0.00000 0.00000 0.00000 0.34000 1.00000 0.00000 -0.58000 0.00000 -1.32000 0.00000 2.38000 64.00000 PIN3_1CKA-14_4.PDB 6.52582 -10.24000 -1.02000 -1.91000 -9.07000 -1.18000 8.37000 -12.65000 1.17000 5.39000 2.38000 0.00000 0.00000 0.00000 0.18000 0.76000 0.00000 -0.75000 0.00000 -1.14000 0.00000 2.38000 64.00000 PIN3_1CKA-14_5.PDB 6.42623 -9.32000 -1.01000 -1.08000 -8.36000 -0.64000 6.92000 -12.16000 1.27000 4.21000 2.45000 0.00000 0.00000 0.00000 0.19000 0.70000 0.00000 -0.51000 0.00000 -0.59000 0.00000 2.38000 64.00000 PIN3_1CKA-14_6.PDB 10.02386 -11.15000 -1.12000 -2.08000 -9.48000 -2.17000 8.45000 -13.11000 1.09000 5.98000 2.49000 0.00000 0.00000 0.00000 0.35000 0.98000 0.00000 -0.32000 0.00000 -1.24000 0.00000 2.38000 64.00000 PIN3_1CKA-14_7.PDB 6.48364 -9.85000 -1.09000 -1.96000 -9.00000 -0.91000 8.19000 -12.59000 0.72000 5.50000 2.67000 0.00000 0.00000 0.00000 0.21000 0.86000 0.00000 -0.76000 0.00000 -0.83000 0.00000 2.38000 64.00000 PIN3_1CKA-14_8.PDB 9.98016 -9.51000 -1.03000 -2.65000 -9.08000 -0.90000 7.86000 -12.97000 1.62000 6.14000 2.59000 0.00000 0.00000 0.00000 0.27000 0.52000 0.00000 -0.48000 0.00000 -0.86000 0.00000 2.38000 64.00000 PIN3_1CKA-14_9.PDB 6.32131 -8.51000 -1.05000 -1.81000 -8.89000 -0.99000 8.45000 -12.26000 0.91000 5.35000 2.92000 0.00000 0.00000 0.00000 0.21000 0.80000 0.00000 -0.41000 0.00000 -0.94000 0.00000 2.38000 64.00000 PIN3_1CKA-14_10.PDB 9.86979 -10.22000 -1.09000 -2.77000 -10.38000 -2.36000 10.29000 -13.58000 1.77000 6.59000 2.86000 0.00000 0.00000 0.00000 0.44000 1.08000 0.00000 -0.66000 0.00000 -1.34000 0.00000 2.38000 64.00000 PIN3_1CKA-14_11.PDB 6.38116 -9.73000 -1.07000 -1.93000 -8.97000 -0.89000 8.12000 -12.64000 0.88000 5.53000 2.44000 0.00000 0.00000 0.00000 0.20000 0.87000 0.00000 -0.58000 0.00000 -0.81000 0.00000 2.38000 64.00000 PIN3_1CKA-14_12.PDB 5.48311 -9.68000 -1.04000 -1.95000 -8.61000 -1.24000 7.95000 -11.79000 0.68000 5.49000 2.32000 0.00000 0.00000 0.00000 0.20000 0.78000 0.00000 -0.54000 0.00000 -1.14000 0.00000 2.38000 64.00000 PIN3_1CKA-14_13.PDB 5.82671 -10.26000 -1.07000 -2.04000 -8.92000 -2.26000 9.06000 -11.52000 0.62000 5.20000 2.30000 0.00000 0.00000 0.00000 0.23000 0.87000 0.00000 -0.64000 0.00000 -1.22000 0.00000 2.38000 64.00000 PIN3_1CKA-14_14.PDB 7.50109 -9.57000 -1.04000 -1.84000 -9.51000 -1.20000 9.22000 -12.97000 0.74000 5.79000 2.76000 0.00000 0.00000 0.00000 0.26000 0.82000 0.00000 -0.72000 0.00000 -1.05000 0.00000 2.38000 64.00000 PIN3_1CKA-14_15.PDB 9.82812 -9.68000 -1.06000 -1.13000 -8.86000 -0.60000 7.55000 -13.15000 1.08000 4.96000 2.40000 0.00000 0.00000 0.00000 0.19000 0.68000 0.00000 -0.37000 0.00000 -0.68000 0.00000 2.38000 64.00000 PIN3_1CKA-14_16.PDB 5.69169 -9.44000 -1.03000 -1.09000 -8.51000 -0.90000 7.21000 -12.19000 0.55000 4.86000 2.54000 0.00000 0.00000 0.00000 0.23000 0.65000 0.00000 -0.39000 0.00000 -0.71000 0.00000 2.38000 64.00000 PIN3_1CKA-14_17.PDB 5.22405 -10.48000 -1.03000 -2.81000 -9.23000 -2.39000 9.19000 -12.04000 0.86000 5.94000 2.74000 0.00000 0.00000 0.00000 0.20000 0.82000 0.00000 -0.58000 0.00000 -1.32000 0.00000 2.38000 64.00000 PIN3_1CKA-14_18.PDB 6.41962 -9.13000 -1.08000 -2.88000 -9.40000 -2.08000 10.62000 -13.05000 1.18000 6.42000 2.67000 0.00000 0.00000 0.00000 0.21000 0.80000 0.00000 -0.52000 0.00000 -1.22000 0.00000 2.38000 64.00000 PIN3_1CKA-14_19.PDB 6.22510 -10.55000 -1.08000 -2.07000 -8.90000 -2.46000 8.68000 -11.75000 0.76000 5.59000 2.21000 0.00000 0.00000 0.00000 0.34000 0.81000 0.00000 -0.44000 0.00000 -1.43000 0.00000 2.38000 64.00000 PIN3_1CKA-14_20.PDB 6.66751 -9.33000 -1.06000 -1.85000 -9.67000 -1.47000 9.47000 -13.08000 1.17000 5.94000 2.82000 0.00000 0.00000 0.00000 0.26000 0.76000 0.00000 -0.55000 0.00000 -1.31000 0.00000 2.38000 64.00000 PIN3_1CKA-14_21.PDB 7.08149 -9.45000 -1.04000 -1.98000 -9.30000 -1.15000 8.72000 -12.72000 0.75000 6.12000 2.38000 0.00000 0.00000 0.00000 0.24000 0.83000 0.00000 -0.41000 0.00000 -1.07000 0.00000 2.38000 64.00000 PIN3_1CKA-14_22.PDB 7.51748 -10.37000 -1.11000 -1.11000 -9.37000 -0.47000 6.88000 -13.96000 2.01000 5.17000 2.24000 0.00000 0.00000 0.00000 0.32000 0.82000 0.00000 -0.35000 0.00000 -0.62000 0.00000 2.38000 64.00000 PIN3_1CKA-14_23.PDB 9.93121 -11.73000 -1.08000 -2.00000 -9.60000 -0.54000 7.44000 -14.11000 0.97000 5.69000 2.65000 0.00000 0.00000 0.00000 0.21000 1.03000 0.00000 -0.70000 0.00000 -0.65000 0.00000 2.38000 64.00000 PIN3_1CKA-14_24.PDB 5.85626 -9.38000 -1.03000 -1.08000 -8.82000 -0.92000 7.74000 -12.39000 0.75000 5.15000 2.24000 0.00000 0.00000 0.00000 0.20000 0.63000 0.00000 -0.41000 0.00000 -0.80000 0.00000 2.38000 64.00000 PIN3_1CKA-14_25.PDB 6.35572 -8.91000 -1.06000 -1.92000 -9.23000 -0.92000 8.74000 -12.78000 1.20000 5.71000 2.74000 0.00000 0.00000 0.00000 0.17000 0.77000 0.00000 -0.60000 0.00000 -0.96000 0.00000 2.38000 64.00000 PIN3_1CKA-14_26.PDB 6.76715 -9.07000 -1.07000 -1.79000 -9.24000 -1.08000 9.11000 -12.52000 0.68000 5.68000 2.60000 0.00000 0.00000 0.00000 0.22000 0.82000 0.00000 -0.68000 0.00000 -0.99000 0.00000 2.38000 64.00000 PIN3_1CKA-14_27.PDB 6.24285 -8.81000 -1.03000 -2.86000 -8.86000 -0.44000 7.87000 -13.31000 0.85000 6.50000 3.08000 0.00000 0.00000 0.00000 0.21000 0.82000 0.00000 -0.33000 0.00000 -0.50000 0.00000 2.38000 64.00000 PIN3_1CKA-14_28.PDB 5.61931 -10.46000 -1.83000 -2.75000 -9.06000 -1.11000 8.36000 -12.48000 0.47000 6.52000 3.05000 0.00000 0.00000 0.00000 0.18000 0.73000 0.00000 -0.71000 0.00000 -1.09000 0.00000 2.38000 64.00000 PIN3_1CKA-14_29.PDB 5.82995 -9.52000 -1.05000 -1.36000 -7.80000 -1.17000 6.84000 -11.02000 0.43000 4.80000 2.13000 0.00000 0.00000 0.00000 0.19000 0.67000 0.00000 -0.37000 0.00000 -1.14000 0.00000 2.38000 64.00000 PIN3_1CKA-14_30.PDB 5.63341 -8.77000 -1.08000 -1.07000 -8.62000 -1.55000 8.30000 -11.72000 0.48000 5.80000 2.28000 0.00000 0.00000 0.00000 0.18000 0.72000 0.00000 -0.36000 0.00000 -1.40000 0.00000 2.38000 64.00000