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-27_1.PDB 5.60915 -6.43000 -0.65000 -3.36000 -7.25000 -2.38000 7.82000 -8.53000 2.02000 5.02000 2.03000 0.00000 0.00000 0.00000 0.26000 0.69000 0.00000 -0.41000 0.00000 -1.02000 0.00000 2.38000 64.00000 PIN3_1CKB-27_2.PDB 5.73728 -6.36000 -0.65000 -3.26000 -7.26000 -2.19000 7.68000 -8.62000 2.01000 5.04000 2.03000 0.00000 0.00000 0.00000 0.22000 0.70000 0.00000 -0.37000 0.00000 -1.00000 0.00000 2.38000 64.00000 PIN3_1CKB-27_3.PDB 5.75442 -7.97000 -0.65000 -3.38000 -8.34000 -2.42000 7.94000 -10.37000 2.06000 5.87000 2.65000 0.00000 0.00000 0.00000 0.20000 0.71000 0.00000 -0.38000 0.00000 -1.15000 0.00000 2.38000 64.00000 PIN3_1CKB-27_4.PDB 5.36700 -6.32000 -0.65000 -4.70000 -7.21000 -2.22000 8.07000 -8.39000 1.88000 5.60000 2.56000 0.00000 0.00000 0.00000 0.17000 0.69000 0.00000 -0.41000 0.00000 -1.02000 0.00000 2.38000 64.00000 PIN3_1CKB-27_5.PDB 5.33743 -6.23000 -0.66000 -3.35000 -8.40000 -2.49000 8.32000 -10.27000 3.00000 5.92000 2.77000 0.00000 0.00000 0.00000 0.20000 0.70000 0.00000 -0.11000 0.00000 -1.16000 0.00000 2.38000 64.00000 PIN3_1CKB-27_6.PDB 5.89833 -7.50000 -0.65000 -3.36000 -8.36000 -2.49000 8.30000 -10.22000 2.06000 5.82000 2.75000 0.00000 0.00000 0.00000 0.22000 0.73000 0.00000 -0.43000 0.00000 -1.16000 0.00000 2.38000 64.00000 PIN3_1CKB-27_7.PDB 5.53966 -5.61000 -0.65000 -3.28000 -7.43000 -2.58000 8.22000 -8.60000 1.98000 5.33000 2.77000 0.00000 0.00000 0.00000 0.13000 0.71000 0.00000 -0.16000 0.00000 -1.35000 0.00000 2.38000 64.00000 PIN3_1CKB-27_8.PDB 6.88132 -5.94000 -0.67000 -3.39000 -8.02000 -2.71000 8.92000 -9.15000 2.16000 5.86000 2.72000 0.00000 0.00000 0.00000 0.18000 0.66000 0.00000 -0.35000 0.00000 -1.49000 0.00000 2.38000 64.00000 PIN3_1CKB-27_9.PDB 4.27092 -6.57000 -0.65000 -5.06000 -7.29000 -2.24000 8.08000 -8.56000 1.97000 5.58000 2.90000 0.00000 0.00000 0.00000 0.15000 0.70000 0.00000 -0.42000 0.00000 -1.02000 0.00000 2.38000 64.00000 PIN3_1CKB-27_10.PDB 5.47181 -5.67000 -0.65000 -3.21000 -7.44000 -2.42000 8.06000 -8.73000 1.97000 5.44000 2.80000 0.00000 0.00000 0.00000 0.19000 0.66000 0.00000 -0.33000 0.00000 -1.36000 0.00000 2.38000 64.00000 PIN3_1CKB-27_11.PDB 5.22037 -6.34000 -0.68000 -5.09000 -7.24000 -2.36000 8.18000 -8.40000 2.02000 5.56000 2.75000 0.00000 0.00000 0.00000 0.16000 0.65000 0.00000 -0.21000 0.00000 -1.03000 0.00000 2.38000 64.00000 PIN3_1CKB-27_12.PDB 4.34867 -7.25000 -0.66000 -3.39000 -8.16000 -2.51000 8.27000 -10.00000 2.00000 5.73000 2.94000 0.00000 0.00000 0.00000 0.15000 0.69000 0.00000 -0.45000 0.00000 -1.16000 0.00000 2.38000 64.00000 PIN3_1CKB-27_13.PDB 4.28823 -6.33000 -0.66000 -5.06000 -7.30000 -2.32000 8.13000 -8.52000 2.04000 5.63000 2.76000 0.00000 0.00000 0.00000 0.17000 0.72000 0.00000 -0.19000 0.00000 -1.02000 0.00000 2.38000 64.00000 PIN3_1CKB-27_14.PDB 5.26655 -5.78000 -0.66000 -5.15000 -7.36000 -2.33000 8.69000 -8.46000 1.88000 5.72000 2.98000 0.00000 0.00000 0.00000 0.18000 0.74000 0.00000 -0.23000 0.00000 -1.04000 0.00000 2.38000 64.00000 PIN3_1CKB-27_15.PDB 5.12815 -6.23000 -0.62000 -4.95000 -7.08000 -1.83000 7.74000 -8.41000 2.24000 5.56000 2.59000 0.00000 0.00000 0.00000 0.11000 0.70000 0.00000 -0.68000 0.00000 -0.89000 0.00000 2.38000 64.00000 PIN3_1CKB-27_16.PDB 5.37308 -7.83000 -0.68000 -5.04000 -7.31000 -2.52000 8.19000 -8.45000 1.96000 5.17000 2.20000 0.00000 0.00000 0.00000 0.23000 0.71000 0.00000 -0.37000 0.00000 -1.22000 0.00000 2.38000 64.00000 PIN3_1CKB-27_17.PDB 4.67203 -7.48000 -0.65000 -3.40000 -8.41000 -2.44000 8.13000 -10.43000 2.01000 5.97000 2.85000 0.00000 0.00000 0.00000 0.17000 0.65000 0.00000 -0.13000 0.00000 -1.15000 0.00000 2.38000 64.00000 PIN3_1CKB-27_18.PDB 5.50129 -4.74000 -0.66000 -3.07000 -8.48000 -2.39000 8.77000 -10.26000 3.36000 5.96000 3.00000 0.00000 0.00000 0.00000 0.19000 0.71000 0.00000 -0.02000 0.00000 -1.15000 0.00000 2.38000 64.00000 PIN3_1CKB-27_19.PDB 4.35919 -6.82000 -0.65000 -3.13000 -8.04000 -2.34000 8.24000 -9.86000 1.98000 5.69000 2.68000 0.00000 0.00000 0.00000 0.13000 0.67000 0.00000 -0.38000 0.00000 -1.13000 0.00000 2.38000 64.00000 PIN3_1CKB-27_20.PDB 5.42728 -4.26000 -0.68000 -3.39000 -7.46000 -2.43000 8.63000 -8.49000 3.28000 5.02000 2.17000 0.00000 0.00000 0.00000 0.33000 0.69000 0.00000 -0.21000 0.00000 -1.04000 0.00000 2.38000 64.00000 PIN3_1CKB-27_21.PDB 5.77013 -6.79000 -0.66000 -5.11000 -7.17000 -2.37000 7.96000 -8.37000 1.89000 5.56000 2.59000 0.00000 0.00000 0.00000 0.30000 0.68000 0.00000 -0.42000 0.00000 -1.00000 0.00000 2.38000 64.00000 PIN3_1CKB-27_22.PDB 5.36463 -5.80000 -0.65000 -5.13000 -7.38000 -2.34000 8.71000 -8.43000 1.98000 5.67000 2.96000 0.00000 0.00000 0.00000 0.22000 0.76000 0.00000 -0.38000 0.00000 -1.02000 0.00000 2.38000 64.00000 PIN3_1CKB-27_23.PDB 5.29620 -6.28000 -0.65000 -3.36000 -8.09000 -2.39000 8.10000 -9.95000 3.02000 5.70000 2.75000 0.00000 0.00000 0.00000 0.17000 0.72000 0.00000 -0.43000 0.00000 -1.14000 0.00000 2.38000 64.00000 PIN3_1CKB-27_24.PDB 5.31571 -7.48000 -0.65000 -5.12000 -7.24000 -2.43000 7.94000 -8.41000 1.96000 5.16000 2.72000 0.00000 0.00000 0.00000 0.20000 0.67000 0.00000 -0.48000 0.00000 -1.13000 0.00000 2.38000 64.00000 PIN3_1CKB-27_25.PDB 5.14959 -6.83000 -0.66000 -3.36000 -8.35000 -2.64000 8.41000 -10.22000 2.72000 5.90000 2.96000 0.00000 0.00000 0.00000 0.20000 0.73000 0.00000 -0.45000 0.00000 -1.33000 0.00000 2.38000 64.00000 PIN3_1CKB-27_26.PDB 5.25130 -6.84000 -0.72000 -4.97000 -7.35000 -2.25000 8.04000 -8.59000 1.87000 5.61000 2.69000 0.00000 0.00000 0.00000 0.12000 0.71000 0.00000 -0.35000 0.00000 -0.94000 0.00000 2.38000 64.00000 PIN3_1CKB-27_27.PDB 4.99526 -6.83000 -0.65000 -5.12000 -7.39000 -2.44000 8.32000 -8.61000 2.03000 5.62000 2.80000 0.00000 0.00000 0.00000 0.19000 0.72000 0.00000 -0.40000 0.00000 -1.18000 0.00000 2.38000 64.00000 PIN3_1CKB-27_28.PDB 4.92165 -4.73000 -0.63000 -2.28000 -6.29000 -1.04000 6.48000 -7.94000 1.73000 4.15000 2.38000 0.00000 0.00000 0.00000 0.10000 0.55000 0.00000 -0.30000 0.00000 -1.08000 0.00000 2.38000 64.00000 PIN3_1CKB-27_29.PDB 5.86930 -6.16000 -0.65000 -3.37000 -8.32000 -2.50000 8.72000 -10.00000 1.90000 5.91000 3.09000 0.00000 0.00000 0.00000 0.38000 0.75000 0.00000 -0.18000 0.00000 -1.15000 0.00000 2.38000 64.00000 PIN3_1CKB-27_30.PDB 4.69286 -7.63000 -0.66000 -4.74000 -7.27000 -1.95000 7.94000 -8.56000 1.94000 5.10000 2.05000 0.00000 0.00000 0.00000 0.08000 0.66000 0.00000 -0.53000 0.00000 -1.04000 0.00000 2.38000 64.00000