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-26_1.PDB 3.66370 -7.09000 -0.65000 -2.35000 -6.71000 -0.21000 5.10000 -9.56000 1.10000 4.35000 2.39000 0.00000 0.00000 0.00000 0.09000 0.54000 0.00000 -0.36000 0.00000 -0.27000 0.00000 2.38000 64.00000 PIN3_1CKA-26_2.PDB 7.32706 -8.58000 -0.61000 -2.31000 -6.98000 -0.29000 4.78000 -10.17000 1.19000 4.44000 2.07000 0.00000 0.00000 0.00000 0.18000 0.46000 0.00000 -0.53000 0.00000 -0.36000 0.00000 2.38000 64.00000 PIN3_1CKA-26_3.PDB 4.15018 -7.28000 -0.61000 -2.31000 -6.65000 -0.04000 5.00000 -9.56000 1.03000 4.05000 2.16000 0.00000 0.00000 0.00000 0.11000 0.57000 0.00000 -0.41000 0.00000 -0.05000 0.00000 2.38000 64.00000 PIN3_1CKA-26_4.PDB 3.74536 -7.29000 -0.62000 -2.30000 -6.71000 -0.11000 5.09000 -9.65000 1.10000 4.16000 2.20000 0.00000 0.00000 0.00000 0.14000 0.53000 0.00000 -0.46000 0.00000 -0.12000 0.00000 2.38000 64.00000 PIN3_1CKA-26_5.PDB 4.02584 -8.11000 -0.58000 -2.28000 -6.92000 -0.18000 5.16000 -9.77000 1.18000 4.33000 1.64000 0.00000 0.00000 0.00000 0.13000 0.57000 0.00000 -0.61000 0.00000 -0.20000 0.00000 2.38000 64.00000 PIN3_1CKA-26_6.PDB 7.37739 -7.90000 -0.59000 -2.27000 -7.12000 -0.26000 5.37000 -10.13000 1.26000 4.53000 1.94000 0.00000 0.00000 0.00000 0.12000 0.54000 0.00000 -0.41000 0.00000 -0.34000 0.00000 2.38000 64.00000 PIN3_1CKA-26_7.PDB 3.95019 -7.65000 -0.64000 -2.32000 -6.80000 -0.13000 5.16000 -9.54000 1.11000 4.29000 1.68000 0.00000 0.00000 0.00000 0.13000 0.57000 0.00000 -0.44000 0.00000 -0.14000 0.00000 2.38000 64.00000 PIN3_1CKA-26_8.PDB 3.91297 -7.69000 -0.61000 -2.33000 -6.76000 -0.27000 5.31000 -9.60000 1.08000 4.21000 1.88000 0.00000 0.00000 0.00000 0.16000 0.58000 0.00000 -0.41000 0.00000 -0.34000 0.00000 2.38000 64.00000 PIN3_1CKA-26_9.PDB 3.88213 -7.31000 -0.64000 -2.30000 -6.82000 -0.17000 5.23000 -9.71000 1.12000 4.22000 2.26000 0.00000 0.00000 0.00000 0.15000 0.59000 0.00000 -0.47000 0.00000 -0.19000 0.00000 2.38000 64.00000 PIN3_1CKA-26_10.PDB 7.36331 -8.41000 -0.60000 -2.31000 -7.06000 -0.13000 5.10000 -10.33000 1.20000 4.24000 1.97000 0.00000 0.00000 0.00000 0.22000 0.57000 0.00000 -0.55000 0.00000 -0.15000 0.00000 2.38000 64.00000 PIN3_1CKA-26_11.PDB 3.90088 -7.65000 -0.61000 -2.32000 -6.80000 -0.31000 5.25000 -9.75000 1.23000 4.20000 2.23000 0.00000 0.00000 0.00000 0.08000 0.61000 0.00000 -0.48000 0.00000 -0.37000 0.00000 2.38000 64.00000 PIN3_1CKA-26_12.PDB 5.59883 -8.25000 -2.19000 -3.91000 -7.66000 -0.37000 7.25000 -10.36000 1.21000 5.79000 2.71000 0.00000 0.00000 0.00000 0.27000 0.55000 0.00000 -0.55000 0.00000 -0.45000 0.00000 2.38000 64.00000 PIN3_1CKA-26_13.PDB 3.68583 -6.39000 -0.66000 -2.35000 -6.70000 -0.13000 5.55000 -9.43000 1.22000 4.25000 2.13000 0.00000 0.00000 0.00000 0.13000 0.61000 0.00000 -0.26000 0.00000 -0.16000 0.00000 2.38000 64.00000 PIN3_1CKA-26_14.PDB 3.95709 -7.80000 -0.62000 -2.32000 -6.64000 -0.18000 5.13000 -9.44000 1.04000 4.12000 1.62000 0.00000 0.00000 0.00000 0.13000 0.60000 0.00000 -0.44000 0.00000 -0.19000 0.00000 2.38000 64.00000 PIN3_1CKA-26_15.PDB 3.81583 -7.65000 -0.57000 -2.29000 -6.87000 -0.34000 5.67000 -9.62000 1.14000 4.23000 1.86000 0.00000 0.00000 0.00000 0.11000 0.64000 0.00000 -0.56000 0.00000 -0.42000 0.00000 2.38000 64.00000 PIN3_1CKA-26_16.PDB 4.02458 -7.35000 -0.64000 -2.36000 -6.93000 -0.37000 5.90000 -9.69000 1.12000 4.41000 1.97000 0.00000 0.00000 0.00000 0.10000 0.59000 0.00000 -0.40000 0.00000 -0.45000 0.00000 2.38000 64.00000 PIN3_1CKA-26_17.PDB 3.90666 -7.79000 -0.58000 -2.29000 -6.54000 -0.25000 4.65000 -9.36000 1.02000 4.10000 2.34000 0.00000 0.00000 0.00000 0.06000 0.56000 0.00000 -0.62000 0.00000 -0.32000 0.00000 2.38000 64.00000 PIN3_1CKA-26_18.PDB 3.77877 -7.54000 -0.58000 -2.28000 -6.59000 -0.30000 4.84000 -9.44000 1.10000 4.16000 2.40000 0.00000 0.00000 0.00000 0.06000 0.57000 0.00000 -0.54000 0.00000 -0.36000 0.00000 2.38000 64.00000 PIN3_1CKA-26_19.PDB 3.83777 -7.16000 -0.65000 -2.20000 -6.75000 -0.10000 5.05000 -9.70000 1.16000 4.15000 2.24000 0.00000 0.00000 0.00000 0.17000 0.57000 0.00000 -0.41000 0.00000 -0.12000 0.00000 2.38000 64.00000 PIN3_1CKA-26_20.PDB 4.05817 -6.58000 -0.60000 -2.29000 -6.48000 -0.01000 4.76000 -9.24000 1.07000 4.15000 2.35000 0.00000 0.00000 0.00000 0.10000 0.46000 0.00000 -0.37000 0.00000 -0.03000 0.00000 2.38000 64.00000 PIN3_1CKA-26_21.PDB 3.73685 -6.57000 -0.53000 -2.25000 -6.36000 -0.26000 4.89000 -8.95000 1.18000 4.06000 2.25000 0.00000 0.00000 0.00000 0.06000 0.34000 0.00000 -0.31000 0.00000 -0.34000 0.00000 2.38000 64.00000 PIN3_1CKA-26_22.PDB 3.94255 -7.19000 -0.64000 -2.31000 -6.72000 -0.25000 5.36000 -9.45000 1.01000 4.26000 2.23000 0.00000 0.00000 0.00000 0.09000 0.63000 0.00000 -0.46000 0.00000 -0.32000 0.00000 2.38000 64.00000 PIN3_1CKA-26_23.PDB 4.46085 -7.85000 -0.62000 -2.30000 -7.00000 -0.12000 5.03000 -10.04000 1.17000 4.38000 2.22000 0.00000 0.00000 0.00000 0.14000 0.54000 0.00000 -0.56000 0.00000 -0.14000 0.00000 2.38000 64.00000 PIN3_1CKA-26_24.PDB 3.92063 -7.06000 -0.63000 -2.36000 -6.66000 -0.41000 5.53000 -9.56000 1.16000 4.28000 2.30000 0.00000 0.00000 0.00000 0.16000 0.57000 0.00000 -0.37000 0.00000 -0.50000 0.00000 2.38000 64.00000 PIN3_1CKA-26_25.PDB 3.94170 -6.81000 -0.68000 -2.36000 -6.67000 -0.17000 5.36000 -9.51000 1.32000 4.17000 2.12000 0.00000 0.00000 0.00000 0.15000 0.60000 0.00000 -0.35000 0.00000 -0.19000 0.00000 2.38000 64.00000 PIN3_1CKA-26_26.PDB 4.37552 -7.45000 -0.63000 -2.32000 -7.05000 -0.14000 5.35000 -10.21000 1.42000 4.45000 2.07000 0.00000 0.00000 0.00000 0.16000 0.59000 0.00000 -0.40000 0.00000 -0.17000 0.00000 2.38000 64.00000 PIN3_1CKA-26_27.PDB 4.39098 -7.72000 -0.62000 -2.31000 -7.03000 -0.24000 5.27000 -10.06000 1.50000 4.53000 1.83000 0.00000 0.00000 0.00000 0.13000 0.50000 0.00000 -0.40000 0.00000 -0.31000 0.00000 2.38000 64.00000 PIN3_1CKA-26_28.PDB 3.79894 -7.43000 -0.62000 -2.32000 -6.70000 -0.08000 5.00000 -9.42000 1.04000 4.21000 1.83000 0.00000 0.00000 0.00000 0.13000 0.58000 0.00000 -0.40000 0.00000 -0.09000 0.00000 2.38000 64.00000 PIN3_1CKA-26_29.PDB 4.20074 -7.31000 -0.62000 -2.32000 -6.85000 -0.33000 5.53000 -9.63000 1.03000 4.39000 2.28000 0.00000 0.00000 0.00000 0.11000 0.61000 0.00000 -0.48000 0.00000 -0.40000 0.00000 2.38000 64.00000 PIN3_1CKA-26_30.PDB 3.75072 -6.82000 -0.63000 -2.31000 -6.82000 -0.13000 5.36000 -9.65000 1.29000 4.30000 2.21000 0.00000 0.00000 0.00000 0.18000 0.56000 0.00000 -0.46000 0.00000 -0.16000 0.00000 2.38000 64.00000