name total energy Backbone Hbon 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-21_1.PDB 19.11000 -40.22000 -10.96000 -66.91000 -1.43000 81.66000 -86.23000 13.87000 35.57000 93.16000 0.00000 0.00000 0.00000 3.11000 22.73000 0.00000 -2.23000 0.00000 -0.27000 0.00000 0.00000 65.00000 PIN3_1CKB-21_2.PDB 17.63000 -39.32000 -11.15000 -66.97000 -1.26000 81.33000 -86.92000 13.13000 35.82000 92.57000 0.00000 0.00000 0.00000 2.84000 22.73000 0.00000 -2.05000 0.00000 -0.40000 0.00000 0.00000 65.00000 PIN3_1CKB-21_3.PDB 21.25000 -38.72000 -7.99000 -65.84000 -1.15000 79.56000 -85.17000 13.49000 32.97000 92.63000 0.00000 0.00000 0.00000 3.51000 22.31000 0.00000 -1.89000 0.00000 -0.12000 0.00000 0.00000 65.00000 PIN3_1CKB-21_4.PDB 20.46000 -40.09000 -10.08000 -66.86000 -0.99000 82.03000 -86.49000 14.57000 34.54000 93.38000 0.00000 0.00000 0.00000 2.87000 23.14000 0.00000 -2.26000 0.00000 -0.16000 0.00000 0.00000 65.00000 PIN3_1CKB-21_5.PDB 20.49000 -38.70000 -8.70000 -67.23000 -1.16000 80.78000 -87.31000 13.58000 34.62000 93.36000 0.00000 0.00000 0.00000 3.54000 22.79000 0.00000 -2.07000 0.00000 -0.23000 0.00000 0.00000 65.00000 PIN3_1CKB-21_6.PDB 19.54000 -38.02000 -10.10000 -66.24000 -1.42000 81.32000 -85.46000 12.60000 34.61000 92.39000 0.00000 0.00000 0.00000 2.86000 22.60000 0.00000 -2.21000 0.00000 -0.79000 0.00000 0.00000 65.00000 PIN3_1CKB-21_7.PDB 17.68000 -40.27000 -12.36000 -68.22000 -1.10000 83.36000 -88.14000 14.29000 36.29000 92.88000 0.00000 0.00000 0.00000 3.31000 23.38000 0.00000 -2.06000 0.00000 -0.31000 0.00000 0.00000 65.00000 PIN3_1CKB-21_8.PDB 19.96000 -38.84000 -10.01000 -66.72000 -1.47000 82.32000 -85.73000 13.80000 34.65000 92.16000 0.00000 0.00000 0.00000 3.12000 23.10000 0.00000 -2.59000 0.00000 -0.73000 0.00000 0.00000 65.00000 PIN3_1CKB-21_9.PDB 21.77000 -38.70000 -7.79000 -67.99000 -0.89000 81.28000 -88.58000 14.77000 34.20000 93.80000 0.00000 0.00000 0.00000 3.74000 23.08000 0.00000 -2.01000 0.00000 -0.04000 0.00000 0.00000 65.00000 PIN3_1CKB-21_10.PDB 21.89000 -38.65000 -8.48000 -66.52000 -0.88000 80.46000 -86.37000 14.37000 33.65000 92.92000 0.00000 0.00000 0.00000 3.57000 22.51000 0.00000 -2.18000 0.00000 -0.00000 0.00000 0.00000 65.00000 PIN3_1CKB-21_11.PDB 20.90000 -38.90000 -10.07000 -67.49000 -1.26000 83.12000 -86.92000 14.88000 34.94000 92.42000 0.00000 0.00000 0.00000 2.87000 23.54000 0.00000 -2.15000 0.00000 -0.54000 0.00000 0.00000 65.00000 PIN3_1CKB-21_12.PDB 20.76000 -37.39000 -8.77000 -66.67000 -1.42000 81.65000 -86.07000 13.57000 33.88000 92.05000 0.00000 0.00000 0.00000 2.93000 22.85000 0.00000 -2.35000 0.00000 -0.64000 0.00000 0.00000 65.00000 PIN3_1CKB-21_13.PDB 22.15000 -37.54000 -7.86000 -65.50000 -1.21000 79.54000 -85.05000 14.24000 32.92000 91.49000 0.00000 0.00000 0.00000 3.51000 21.95000 0.00000 -2.11000 0.00000 -0.29000 0.00000 0.00000 65.00000 PIN3_1CKB-21_14.PDB 21.03000 -38.84000 -8.43000 -66.78000 -1.49000 81.46000 -86.47000 13.28000 34.48000 92.48000 0.00000 0.00000 0.00000 3.64000 22.54000 0.00000 -2.11000 0.00000 -0.18000 0.00000 0.00000 65.00000 PIN3_1CKB-21_15.PDB 19.91000 -39.29000 -8.56000 -66.45000 -1.27000 81.09000 -85.87000 14.05000 33.64000 92.32000 0.00000 0.00000 0.00000 3.26000 22.75000 0.00000 -2.30000 0.00000 -0.70000 0.00000 0.00000 65.00000 PIN3_1CKB-21_16.PDB 17.57000 -40.47000 -10.73000 -67.70000 -1.16000 82.91000 -86.84000 13.53000 34.59000 92.76000 0.00000 0.00000 0.00000 3.56000 23.16000 0.00000 -2.14000 0.00000 -0.72000 0.00000 0.00000 65.00000 PIN3_1CKB-21_17.PDB 18.41000 -39.30000 -10.36000 -66.29000 -0.99000 80.39000 -85.76000 13.34000 34.41000 92.55000 0.00000 0.00000 0.00000 2.74000 22.58000 0.00000 -2.09000 0.00000 -0.22000 0.00000 0.00000 65.00000 PIN3_1CKB-21_18.PDB 18.50000 -39.92000 -9.96000 -67.23000 -0.98000 82.35000 -86.99000 13.79000 34.73000 92.16000 0.00000 0.00000 0.00000 2.79000 22.99000 0.00000 -2.04000 0.00000 -0.21000 0.00000 0.00000 65.00000 PIN3_1CKB-21_19.PDB 19.38000 -39.61000 -11.68000 -68.49000 -0.71000 83.72000 -88.03000 15.11000 35.79000 93.01000 0.00000 0.00000 0.00000 2.87000 23.61000 0.00000 -2.33000 0.00000 -0.28000 0.00000 0.00000 65.00000 PIN3_1CKB-21_20.PDB 20.22000 -39.70000 -12.82000 -67.63000 -0.82000 82.41000 -87.12000 16.11000 36.14000 92.83000 0.00000 0.00000 0.00000 3.22000 23.08000 0.00000 -2.08000 0.00000 -0.31000 0.00000 0.00000 65.00000 PIN3_1CKB-21_21.PDB 23.66000 -37.71000 -7.73000 -65.56000 -1.04000 79.51000 -84.97000 15.03000 32.48000 91.56000 0.00000 0.00000 0.00000 4.15000 22.14000 0.00000 -2.05000 0.00000 -0.01000 0.00000 0.00000 65.00000 PIN3_1CKB-21_22.PDB 22.88000 -38.01000 -6.50000 -66.70000 -1.32000 81.75000 -86.36000 14.07000 32.47000 92.19000 0.00000 0.00000 0.00000 3.38000 22.60000 0.00000 -2.03000 0.00000 -0.07000 0.00000 0.00000 65.00000 PIN3_1CKB-21_23.PDB 20.57000 -39.47000 -10.13000 -66.87000 -0.87000 81.43000 -86.29000 13.77000 35.01000 92.72000 0.00000 0.00000 0.00000 3.45000 22.75000 0.00000 -2.15000 0.00000 -0.02000 0.00000 0.00000 65.00000 PIN3_1CKB-21_24.PDB 20.21000 -40.17000 -8.56000 -68.33000 -0.91000 81.54000 -89.07000 16.65000 34.55000 93.43000 0.00000 0.00000 0.00000 2.78000 22.96000 0.00000 -1.70000 0.00000 0.01000 0.00000 0.00000 65.00000 PIN3_1CKB-21_25.PDB 20.50000 -40.14000 -8.40000 -68.01000 -0.89000 82.17000 -87.96000 14.98000 34.38000 93.55000 0.00000 0.00000 0.00000 3.14000 23.26000 0.00000 -2.06000 0.00000 -0.26000 0.00000 0.00000 65.00000 PIN3_1CKB-21_26.PDB 18.91000 -39.36000 -8.25000 -67.35000 -0.82000 81.32000 -87.69000 12.78000 34.14000 93.39000 0.00000 0.00000 0.00000 2.95000 23.19000 0.00000 -1.95000 0.00000 -0.23000 0.00000 0.00000 65.00000 PIN3_1CKB-21_27.PDB 21.62000 -39.04000 -11.24000 -66.34000 -1.09000 81.63000 -85.31000 15.55000 34.99000 91.96000 0.00000 0.00000 0.00000 2.79000 22.70000 0.00000 -2.12000 0.00000 -0.18000 0.00000 0.00000 65.00000 PIN3_1CKB-21_28.PDB 19.73000 -39.38000 -9.86000 -66.98000 -1.41000 82.42000 -86.07000 13.73000 35.02000 92.77000 0.00000 0.00000 0.00000 2.79000 23.00000 0.00000 -2.74000 0.00000 -0.57000 0.00000 0.00000 65.00000 PIN3_1CKB-21_29.PDB 20.61000 -40.18000 -6.79000 -67.58000 -0.59000 81.95000 -87.69000 14.33000 32.54000 93.34000 0.00000 0.00000 0.00000 3.29000 23.33000 0.00000 -2.01000 0.00000 0.01000 0.00000 0.00000 65.00000 PIN3_1CKB-21_30.PDB 18.04000 -40.09000 -10.56000 -67.28000 -1.14000 82.56000 -86.65000 12.63000 35.75000 92.79000 0.00000 0.00000 0.00000 2.93000 23.13000 0.00000 -2.30000 0.00000 -0.60000 0.00000 0.00000 65.00000