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-26_1.PDB 3.97204 -8.53000 -0.60000 -2.23000 -7.35000 -0.15000 4.96000 -11.03000 1.17000 4.60000 2.18000 0.00000 0.00000 0.00000 0.26000 0.64000 0.00000 -0.18000 0.00000 -0.17000 0.00000 2.38000 64.00000 PIN3_1CKB-26_2.PDB 3.41702 -7.82000 -0.58000 -3.92000 -7.70000 -0.19000 5.96000 -11.24000 1.36000 6.31000 2.52000 0.00000 0.00000 0.00000 0.12000 0.55000 0.00000 -0.25000 0.00000 -0.23000 0.00000 2.38000 64.00000 PIN3_1CKB-26_3.PDB 3.30926 -8.97000 -0.61000 -2.23000 -7.62000 -0.16000 5.03000 -11.52000 1.36000 4.82000 2.40000 0.00000 0.00000 0.00000 0.14000 0.69000 0.00000 -0.42000 0.00000 -0.17000 0.00000 2.38000 64.00000 PIN3_1CKB-26_4.PDB 3.07059 -7.56000 -0.58000 -3.98000 -7.58000 -0.20000 5.81000 -11.16000 1.61000 6.30000 2.56000 0.00000 0.00000 0.00000 0.08000 0.52000 0.00000 -0.19000 0.00000 -0.22000 0.00000 2.38000 64.00000 PIN3_1CKB-26_5.PDB 3.19123 -8.47000 -0.60000 -2.22000 -7.54000 -0.16000 5.01000 -11.46000 1.54000 4.85000 2.39000 0.00000 0.00000 0.00000 0.14000 0.67000 0.00000 -0.26000 0.00000 -0.16000 0.00000 2.38000 64.00000 PIN3_1CKB-26_6.PDB 3.25467 -7.28000 -0.56000 -3.95000 -7.08000 -0.21000 5.86000 -10.25000 1.38000 5.35000 2.48000 0.00000 0.00000 0.00000 0.18000 0.34000 0.00000 -0.20000 0.00000 -0.28000 0.00000 2.38000 64.00000 PIN3_1CKB-26_7.PDB 2.74513 -7.73000 -0.65000 -3.87000 -7.41000 -0.20000 5.68000 -11.02000 1.77000 5.83000 2.52000 0.00000 0.00000 0.00000 0.13000 0.51000 0.00000 -0.28000 0.00000 -0.22000 0.00000 2.38000 64.00000 PIN3_1CKB-26_8.PDB 2.93179 -8.09000 -0.60000 -2.22000 -7.41000 -0.11000 4.49000 -11.29000 2.25000 4.66000 2.39000 0.00000 0.00000 0.00000 0.07000 0.60000 0.00000 -0.22000 0.00000 -0.10000 0.00000 2.38000 64.00000 PIN3_1CKB-26_9.PDB 4.12198 -9.31000 -0.67000 -2.25000 -7.50000 -0.11000 4.71000 -11.38000 1.24000 4.76000 1.89000 0.00000 0.00000 0.00000 0.38000 0.59000 0.00000 -0.27000 0.00000 -0.11000 0.00000 2.38000 64.00000 PIN3_1CKB-26_10.PDB 3.49057 -8.48000 -0.63000 -4.01000 -7.51000 -0.19000 5.75000 -11.03000 1.29000 5.76000 2.43000 0.00000 0.00000 0.00000 0.17000 0.56000 0.00000 -0.26000 0.00000 -0.23000 0.00000 2.38000 64.00000 PIN3_1CKB-26_11.PDB 3.61468 -9.26000 -0.63000 -3.39000 -7.21000 -0.12000 4.64000 -10.92000 1.22000 5.11000 2.28000 0.00000 0.00000 0.00000 0.16000 0.64000 0.00000 -0.27000 0.00000 -0.12000 0.00000 2.38000 64.00000 PIN3_1CKB-26_12.PDB 3.13947 -7.91000 -0.67000 -3.83000 -7.60000 -0.19000 5.85000 -11.30000 1.75000 5.91000 2.40000 0.00000 0.00000 0.00000 0.18000 0.53000 0.00000 -0.18000 0.00000 -0.23000 0.00000 2.38000 64.00000 PIN3_1CKB-26_13.PDB 3.33987 -8.24000 -0.61000 -3.93000 -7.46000 -0.18000 5.71000 -10.99000 1.38000 5.83000 2.44000 0.00000 0.00000 0.00000 0.13000 0.58000 0.00000 -0.32000 0.00000 -0.24000 0.00000 2.38000 64.00000 PIN3_1CKB-26_14.PDB 3.68418 -8.48000 -0.64000 -2.24000 -7.65000 -0.10000 5.05000 -11.65000 1.66000 4.92000 2.38000 0.00000 0.00000 0.00000 0.33000 0.64000 0.00000 -0.40000 0.00000 -0.12000 0.00000 2.38000 64.00000 PIN3_1CKB-26_15.PDB 4.05836 -7.29000 -0.63000 -3.53000 -7.31000 -0.14000 5.62000 -10.80000 1.66000 5.67000 2.44000 0.00000 0.00000 0.00000 0.22000 0.46000 0.00000 -0.32000 0.00000 -0.18000 0.00000 2.38000 64.00000 PIN3_1CKB-26_16.PDB 3.55949 -6.41000 -1.06000 -2.72000 -7.78000 -0.15000 5.92000 -11.49000 3.13000 5.05000 2.79000 0.00000 0.00000 0.00000 0.23000 0.65000 0.00000 -0.18000 0.00000 -0.17000 0.00000 2.38000 64.00000 PIN3_1CKB-26_17.PDB 3.49736 -8.75000 -0.64000 -2.24000 -7.81000 -0.12000 5.26000 -11.74000 1.63000 4.96000 2.30000 0.00000 0.00000 0.00000 0.11000 0.66000 0.00000 -0.30000 0.00000 -0.15000 0.00000 2.38000 64.00000 PIN3_1CKB-26_18.PDB 3.76252 -8.94000 -0.62000 -3.41000 -7.44000 -0.11000 5.04000 -11.24000 1.39000 5.24000 2.39000 0.00000 0.00000 0.00000 0.26000 0.68000 0.00000 -0.33000 0.00000 -0.10000 0.00000 2.38000 64.00000 PIN3_1CKB-26_19.PDB 3.22485 -8.94000 -0.61000 -3.43000 -7.57000 -0.06000 4.76000 -11.48000 1.51000 5.45000 2.65000 0.00000 0.00000 0.00000 0.12000 0.54000 0.00000 -0.24000 0.00000 -0.05000 0.00000 2.38000 64.00000 PIN3_1CKB-26_20.PDB 4.13533 -8.72000 -0.65000 -2.27000 -7.67000 -0.06000 4.80000 -11.63000 1.47000 4.91000 2.40000 0.00000 0.00000 0.00000 0.38000 0.56000 0.00000 -0.34000 0.00000 -0.05000 0.00000 2.38000 64.00000 PIN3_1CKB-26_21.PDB 3.08818 -7.90000 -0.63000 -5.54000 -7.91000 -0.24000 7.22000 -11.30000 2.35000 6.62000 2.45000 0.00000 0.00000 0.00000 0.07000 0.49000 0.00000 -0.75000 0.00000 -0.24000 0.00000 2.38000 64.00000 PIN3_1CKB-26_22.PDB 2.97505 -7.88000 -0.59000 -3.95000 -7.58000 -0.09000 5.67000 -11.19000 1.29000 6.20000 2.54000 0.00000 0.00000 0.00000 0.12000 0.50000 0.00000 -0.18000 0.00000 -0.11000 0.00000 2.38000 64.00000 PIN3_1CKB-26_23.PDB 3.86504 -6.85000 -0.60000 -2.32000 -7.38000 -0.10000 5.58000 -10.83000 1.47000 4.92000 2.60000 0.00000 0.00000 0.00000 0.11000 0.63000 0.00000 -0.20000 0.00000 -0.10000 0.00000 2.38000 64.00000 PIN3_1CKB-26_24.PDB 3.15497 -9.13000 -0.60000 -4.68000 -7.30000 -0.41000 5.67000 -10.69000 1.07000 5.79000 2.64000 0.00000 0.00000 0.00000 0.15000 0.53000 0.00000 -0.25000 0.00000 -0.50000 0.00000 2.38000 64.00000 PIN3_1CKB-26_25.PDB 3.37824 -9.25000 -0.61000 -2.23000 -7.68000 -0.08000 4.94000 -11.56000 1.39000 4.85000 1.98000 0.00000 0.00000 0.00000 0.13000 0.65000 0.00000 -0.31000 0.00000 -0.07000 0.00000 2.38000 64.00000 PIN3_1CKB-26_26.PDB 2.45986 -7.26000 -0.62000 -3.91000 -7.52000 -0.38000 5.81000 -11.07000 1.98000 6.45000 2.61000 0.00000 0.00000 0.00000 0.09000 0.49000 0.00000 -0.22000 0.00000 -0.48000 0.00000 2.38000 64.00000 PIN3_1CKB-26_27.PDB 2.79977 -8.65000 -0.66000 -3.97000 -7.56000 -0.46000 5.89000 -11.14000 1.37000 5.95000 2.58000 0.00000 0.00000 0.00000 0.17000 0.56000 0.00000 -0.25000 0.00000 -0.57000 0.00000 2.38000 64.00000 PIN3_1CKB-26_28.PDB 4.00671 -9.20000 -0.64000 -2.97000 -7.41000 -0.41000 5.16000 -11.14000 1.36000 4.85000 2.43000 0.00000 0.00000 0.00000 0.35000 0.62000 0.00000 -0.28000 0.00000 -0.51000 0.00000 2.38000 64.00000 PIN3_1CKB-26_29.PDB 1.96286 -7.12000 -0.53000 -2.22000 -7.62000 -0.31000 5.78000 -11.08000 2.24000 4.67000 2.48000 0.00000 0.00000 0.00000 0.10000 0.57000 0.00000 -0.25000 0.00000 -0.37000 0.00000 2.38000 64.00000 PIN3_1CKB-26_30.PDB 2.42276 -8.46000 -0.60000 -2.23000 -7.78000 -0.34000 5.25000 -11.74000 1.77000 5.14000 2.64000 0.00000 0.00000 0.00000 0.23000 0.67000 0.00000 -0.38000 0.00000 -0.41000 0.00000 2.38000 64.00000