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-20_1.PDB 8.33110 -9.37000 -2.19000 -5.14000 -10.59000 -0.46000 10.02000 -13.65000 1.19000 7.73000 4.44000 0.00000 0.00000 0.00000 0.12000 0.67000 0.00000 -0.51000 0.00000 -0.33000 0.00000 2.38000 64.00000 PIN3_1CKA-20_2.PDB 5.51234 -8.55000 -2.09000 -3.11000 -9.64000 -0.13000 8.90000 -12.71000 0.98000 6.37000 3.36000 0.00000 0.00000 0.00000 0.09000 0.52000 0.00000 -0.42000 0.00000 -0.16000 0.00000 2.38000 64.00000 PIN3_1CKA-20_3.PDB 5.41987 -8.46000 -2.09000 -3.27000 -9.79000 -0.19000 8.77000 -12.96000 1.14000 6.47000 4.53000 0.00000 0.00000 0.00000 0.09000 0.54000 0.00000 -0.93000 0.00000 -0.23000 0.00000 2.38000 64.00000 PIN3_1CKA-20_4.PDB 8.37545 -9.47000 -2.17000 -5.08000 -10.45000 -0.36000 9.89000 -13.37000 1.22000 7.76000 3.73000 0.00000 0.00000 0.00000 0.14000 0.62000 0.00000 -0.51000 0.00000 -0.28000 0.00000 2.38000 64.00000 PIN3_1CKA-20_5.PDB 5.86153 -7.68000 -2.09000 -3.38000 -9.21000 0.06000 8.06000 -12.58000 1.11000 6.10000 4.62000 0.00000 0.00000 0.00000 0.07000 0.46000 0.00000 -0.51000 0.00000 0.05000 0.00000 2.38000 64.00000 PIN3_1CKA-20_6.PDB 8.69934 -9.02000 -2.17000 -5.08000 -11.00000 -0.46000 10.77000 -13.79000 1.28000 7.97000 3.91000 0.00000 0.00000 0.00000 0.36000 0.68000 0.00000 -0.47000 0.00000 -0.33000 0.00000 2.38000 64.00000 PIN3_1CKA-20_7.PDB 5.93934 -7.17000 -2.10000 -3.38000 -9.10000 0.06000 7.93000 -12.38000 1.07000 6.01000 5.15000 0.00000 0.00000 0.00000 0.06000 0.45000 0.00000 -0.53000 0.00000 0.05000 0.00000 2.38000 64.00000 PIN3_1CKA-20_8.PDB 6.19590 -7.78000 -2.04000 -3.33000 -9.18000 0.04000 7.86000 -12.52000 1.07000 6.07000 4.64000 0.00000 0.00000 0.00000 0.07000 0.49000 0.00000 -0.48000 0.00000 0.02000 0.00000 2.38000 64.00000 PIN3_1CKA-20_9.PDB 5.84251 -8.55000 -2.11000 -3.46000 -9.71000 0.08000 8.52000 -13.22000 1.46000 6.21000 3.76000 0.00000 0.00000 0.00000 0.15000 0.57000 0.00000 -0.28000 0.00000 0.05000 0.00000 2.38000 64.00000 PIN3_1CKA-20_10.PDB 6.07810 -7.82000 -2.13000 -3.38000 -9.67000 0.10000 8.68000 -12.93000 1.11000 5.94000 4.65000 0.00000 0.00000 0.00000 0.10000 0.60000 0.00000 -0.34000 0.00000 0.05000 0.00000 2.38000 64.00000 PIN3_1CKA-20_11.PDB 6.20741 -8.14000 -2.13000 -3.81000 -9.46000 0.08000 8.19000 -12.87000 1.11000 6.20000 4.80000 0.00000 0.00000 0.00000 0.13000 0.54000 0.00000 -0.42000 0.00000 0.06000 0.00000 2.38000 64.00000 PIN3_1CKA-20_12.PDB 6.23050 -7.88000 -2.11000 -3.43000 -9.78000 0.09000 8.76000 -13.08000 1.14000 5.88000 4.40000 0.00000 0.00000 0.00000 0.54000 0.64000 0.00000 -0.34000 0.00000 0.05000 0.00000 2.38000 64.00000 PIN3_1CKA-20_13.PDB 4.80958 -7.60000 -2.06000 -3.34000 -9.60000 0.04000 8.46000 -13.05000 0.97000 6.31000 5.09000 0.00000 0.00000 0.00000 0.06000 0.61000 0.00000 -0.51000 0.00000 0.02000 0.00000 2.38000 64.00000 PIN3_1CKA-20_14.PDB 5.72422 -7.50000 -2.09000 -3.42000 -9.88000 0.10000 8.75000 -13.21000 1.20000 6.18000 4.80000 0.00000 0.00000 0.00000 0.49000 0.64000 0.00000 -0.46000 0.00000 0.05000 0.00000 2.38000 64.00000 PIN3_1CKA-20_15.PDB 5.75153 -6.49000 -2.15000 -3.77000 -8.86000 0.05000 8.21000 -11.69000 1.09000 5.77000 5.35000 0.00000 0.00000 0.00000 0.08000 0.40000 0.00000 -0.62000 0.00000 0.05000 0.00000 2.38000 64.00000 PIN3_1CKA-20_16.PDB 5.52009 -8.00000 -2.04000 -3.20000 -9.23000 -0.03000 8.10000 -12.49000 0.73000 6.37000 4.30000 0.00000 0.00000 0.00000 0.08000 0.42000 0.00000 -0.55000 0.00000 -0.04000 0.00000 2.38000 64.00000 PIN3_1CKA-20_17.PDB 5.55215 -8.98000 -2.10000 -3.09000 -9.36000 -0.02000 8.05000 -12.80000 0.68000 6.18000 4.25000 0.00000 0.00000 0.00000 0.05000 0.44000 0.00000 -0.73000 0.00000 -0.09000 0.00000 2.38000 64.00000 PIN3_1CKA-20_18.PDB 5.46966 -7.61000 -2.02000 -3.25000 -10.10000 -0.21000 9.04000 -13.33000 2.04000 6.98000 3.90000 0.00000 0.00000 0.00000 0.03000 0.49000 0.00000 -0.54000 0.00000 -0.17000 0.00000 2.38000 64.00000 PIN3_1CKA-20_19.PDB 5.65917 -9.18000 -2.14000 -3.08000 -9.74000 -0.03000 8.37000 -13.32000 1.02000 6.31000 4.26000 0.00000 0.00000 0.00000 0.11000 0.53000 0.00000 -0.86000 0.00000 -0.08000 0.00000 2.38000 64.00000 PIN3_1CKA-20_20.PDB 6.29758 -9.56000 -2.11000 -3.15000 -10.78000 0.00000 8.89000 -14.61000 1.12000 7.06000 3.82000 0.00000 0.00000 0.00000 0.63000 0.65000 0.00000 -0.40000 0.00000 -0.03000 0.00000 2.38000 64.00000 PIN3_1CKA-20_21.PDB 9.03357 -8.66000 -2.17000 -4.88000 -10.96000 -0.26000 10.07000 -14.09000 3.29000 8.00000 3.20000 0.00000 0.00000 0.00000 0.08000 0.60000 0.00000 -0.75000 0.00000 -0.18000 0.00000 2.38000 64.00000 PIN3_1CKA-20_22.PDB 5.48725 -8.28000 -2.06000 -3.18000 -9.32000 -0.03000 8.26000 -12.66000 0.78000 6.27000 4.29000 0.00000 0.00000 0.00000 0.05000 0.38000 0.00000 -0.63000 0.00000 -0.06000 0.00000 2.38000 64.00000 PIN3_1CKA-20_23.PDB 8.88740 -9.58000 -2.16000 -4.99000 -10.98000 -0.27000 9.95000 -14.22000 1.92000 8.36000 3.64000 0.00000 0.00000 0.00000 0.10000 0.60000 0.00000 -0.69000 0.00000 -0.22000 0.00000 2.38000 64.00000 PIN3_1CKA-20_24.PDB 8.27992 -8.47000 -2.18000 -5.10000 -10.73000 -0.29000 9.89000 -13.80000 2.16000 8.28000 3.82000 0.00000 0.00000 0.00000 0.12000 0.60000 0.00000 -0.46000 0.00000 -0.19000 0.00000 2.38000 64.00000 PIN3_1CKA-20_25.PDB 8.19664 -8.80000 -2.18000 -5.08000 -10.13000 -0.38000 9.55000 -13.11000 1.15000 7.64000 4.72000 0.00000 0.00000 0.00000 0.08000 0.48000 0.00000 -0.77000 0.00000 -0.28000 0.00000 2.38000 64.00000 PIN3_1CKA-20_26.PDB 5.97183 -6.81000 -2.08000 -3.38000 -9.72000 0.20000 7.93000 -13.58000 3.08000 6.75000 4.15000 0.00000 0.00000 0.00000 0.09000 0.42000 0.00000 -0.39000 0.00000 0.14000 0.00000 2.38000 64.00000 PIN3_1CKA-20_27.PDB 5.35793 -7.43000 -2.08000 -4.26000 -9.04000 -0.16000 8.41000 -11.72000 0.69000 7.19000 4.35000 0.00000 0.00000 0.00000 0.08000 0.37000 0.00000 -0.69000 0.00000 -0.19000 0.00000 2.38000 64.00000 PIN3_1CKA-20_28.PDB 5.22167 -8.63000 -2.09000 -3.36000 -9.78000 -0.13000 8.94000 -12.95000 1.13000 6.63000 3.40000 0.00000 0.00000 0.00000 0.11000 0.57000 0.00000 -0.35000 0.00000 -0.18000 0.00000 2.38000 64.00000 PIN3_1CKA-20_29.PDB 8.27143 -8.61000 -2.12000 -5.55000 -10.66000 -0.39000 10.06000 -13.64000 2.07000 8.31000 3.88000 0.00000 0.00000 0.00000 0.04000 0.49000 0.00000 -0.38000 0.00000 -0.23000 0.00000 2.38000 64.00000 PIN3_1CKA-20_30.PDB 5.80052 -7.22000 -2.08000 -3.44000 -9.90000 0.19000 8.36000 -13.63000 2.89000 6.68000 4.21000 0.00000 0.00000 0.00000 0.10000 0.45000 0.00000 -0.73000 0.00000 0.14000 0.00000 2.38000 64.00000