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 LSB3_CKB-OOT-17_1.PDB 3.44680 -3.77000 -0.35000 -2.58000 -10.51000 -0.86000 11.00000 -13.13000 3.09000 6.53000 4.35000 0.00000 0.00000 0.00000 0.23000 0.54000 0.00000 -0.94000 0.00000 -0.60000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-17_2.PDB 3.95714 -4.80000 -0.43000 -2.87000 -10.67000 -1.21000 11.35000 -13.30000 2.99000 6.55000 4.12000 0.00000 0.00000 0.00000 0.34000 0.62000 0.00000 -0.87000 0.00000 -0.80000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-17_3.PDB 4.19670 -3.45000 -0.46000 -2.89000 -11.20000 -1.76000 12.24000 -13.67000 4.45000 7.10000 4.27000 0.00000 0.00000 0.00000 0.48000 0.69000 0.00000 -0.95000 0.00000 -1.07000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-17_4.PDB 3.20390 -3.20000 -0.32000 -2.77000 -9.71000 -0.92000 10.49000 -12.00000 3.07000 6.36000 4.02000 0.00000 0.00000 0.00000 0.20000 0.51000 0.00000 -0.55000 0.00000 -1.08000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-17_5.PDB 3.01062 -4.08000 -0.37000 -2.78000 -9.79000 -0.82000 10.25000 -12.34000 2.94000 6.25000 3.88000 0.00000 0.00000 0.00000 0.19000 0.55000 0.00000 -0.50000 0.00000 -0.99000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-17_6.PDB 4.57141 -3.41000 -0.31000 -2.18000 -10.10000 -1.64000 11.09000 -12.30000 3.28000 6.21000 3.90000 0.00000 0.00000 0.00000 0.59000 0.67000 0.00000 -0.55000 0.00000 -1.39000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-17_7.PDB 3.67943 -4.12000 -0.35000 -2.89000 -9.78000 -1.07000 10.32000 -12.20000 1.99000 6.40000 4.97000 0.00000 0.00000 0.00000 0.17000 0.47000 0.00000 -0.90000 0.00000 -0.79000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-17_8.PDB 3.28213 -3.40000 -0.32000 -2.47000 -9.35000 -0.81000 9.88000 -11.69000 2.02000 5.80000 4.71000 0.00000 0.00000 0.00000 0.16000 0.46000 0.00000 -0.63000 0.00000 -0.70000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-17_9.PDB 3.57542 -3.38000 -0.35000 -2.57000 -10.27000 -1.07000 10.94000 -12.96000 2.92000 7.17000 4.18000 0.00000 0.00000 0.00000 0.25000 0.62000 0.00000 -0.81000 0.00000 -0.80000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-17_10.PDB 3.55977 -4.61000 -0.39000 -2.58000 -9.14000 -1.54000 9.43000 -11.33000 2.10000 5.75000 4.52000 0.00000 0.00000 0.00000 0.22000 0.70000 0.00000 -0.65000 0.00000 -1.01000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-17_11.PDB 4.39266 -3.82000 -0.36000 -1.39000 -9.40000 -0.82000 9.75000 -11.84000 1.53000 5.45000 4.32000 0.00000 0.00000 0.00000 0.13000 0.45000 0.00000 -0.62000 0.00000 -0.59000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-17_12.PDB 3.47751 -4.31000 -0.44000 -2.75000 -10.14000 -1.28000 10.96000 -12.49000 2.09000 6.21000 5.00000 0.00000 0.00000 0.00000 0.19000 0.57000 0.00000 -0.83000 0.00000 -0.82000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-17_13.PDB 4.03489 -3.83000 -0.54000 -2.90000 -10.47000 -1.57000 11.60000 -12.71000 3.10000 6.90000 4.24000 0.00000 0.00000 0.00000 0.32000 0.60000 0.00000 -0.69000 0.00000 -1.10000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-17_14.PDB 3.92236 -3.59000 -0.37000 -2.69000 -10.94000 -0.88000 11.76000 -13.39000 3.17000 6.80000 4.38000 0.00000 0.00000 0.00000 0.27000 0.55000 0.00000 -1.06000 0.00000 -0.63000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-17_15.PDB 3.80329 -3.85000 -0.33000 -2.60000 -10.85000 -1.82000 12.38000 -13.05000 3.03000 6.82000 4.29000 0.00000 0.00000 0.00000 0.23000 0.52000 0.00000 -0.85000 0.00000 -1.11000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-17_16.PDB 2.95758 -3.80000 -0.32000 -2.81000 -9.00000 -1.01000 9.63000 -11.18000 1.92000 5.98000 4.53000 0.00000 0.00000 0.00000 0.12000 0.52000 0.00000 -0.55000 0.00000 -1.12000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-17_17.PDB 3.01253 -4.06000 -0.32000 -2.76000 -8.83000 -1.05000 9.21000 -11.06000 2.00000 5.79000 4.53000 0.00000 0.00000 0.00000 0.12000 0.48000 0.00000 -0.53000 0.00000 -1.16000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-17_18.PDB 3.60177 -4.60000 -0.39000 -2.89000 -8.77000 -1.26000 9.05000 -10.94000 2.09000 5.73000 4.42000 0.00000 0.00000 0.00000 0.20000 0.64000 0.00000 -0.62000 0.00000 -1.22000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-17_19.PDB 3.08745 -3.72000 -0.39000 -2.87000 -9.31000 -0.99000 10.04000 -11.40000 1.98000 6.11000 4.50000 0.00000 0.00000 0.00000 0.12000 0.47000 0.00000 -0.46000 0.00000 -1.07000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-17_20.PDB 4.15025 -4.38000 -0.35000 -2.75000 -10.64000 -0.44000 10.34000 -13.80000 3.22000 6.54000 4.20000 0.00000 0.00000 0.00000 0.26000 0.56000 0.00000 -0.80000 0.00000 -0.15000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-17_21.PDB 3.67817 -3.53000 -0.40000 -2.50000 -9.66000 -1.54000 10.85000 -11.49000 2.70000 6.03000 4.52000 0.00000 0.00000 0.00000 0.17000 0.68000 0.00000 -0.99000 0.00000 -1.23000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-17_22.PDB 4.15924 -4.94000 -0.32000 -2.61000 -9.48000 -1.85000 10.46000 -11.63000 1.95000 6.68000 3.89000 0.00000 0.00000 0.00000 0.17000 0.47000 0.00000 -0.51000 0.00000 -1.68000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-17_23.PDB 3.34936 -3.72000 -0.32000 -2.73000 -9.40000 -1.04000 9.99000 -11.58000 2.15000 6.26000 4.49000 0.00000 0.00000 0.00000 0.11000 0.49000 0.00000 -0.52000 0.00000 -1.13000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-17_24.PDB 4.43595 -4.45000 -0.33000 -2.57000 -10.71000 -0.47000 10.41000 -13.89000 3.34000 6.37000 4.22000 0.00000 0.00000 0.00000 0.22000 0.44000 0.00000 -0.85000 0.00000 -0.21000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-17_25.PDB 3.72376 -3.90000 -0.25000 -2.57000 -9.48000 -1.03000 9.92000 -11.64000 2.06000 6.48000 3.82000 0.00000 0.00000 0.00000 0.18000 0.56000 0.00000 -0.54000 0.00000 -0.85000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-17_26.PDB 4.31003 -4.14000 -0.35000 -1.32000 -10.28000 -0.45000 9.77000 -13.51000 3.16000 5.60000 3.97000 0.00000 0.00000 0.00000 0.23000 0.57000 0.00000 -0.80000 0.00000 -0.17000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-17_27.PDB 3.55705 -4.50000 -0.34000 -2.79000 -9.77000 -1.80000 11.07000 -11.75000 1.87000 6.95000 4.34000 0.00000 0.00000 0.00000 0.21000 0.34000 0.00000 -0.95000 0.00000 -1.54000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-17_28.PDB 3.18726 -3.37000 -0.43000 -2.60000 -10.43000 -1.49000 12.01000 -12.37000 3.04000 6.61000 4.11000 0.00000 0.00000 0.00000 0.19000 0.61000 0.00000 -0.66000 0.00000 -1.35000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-17_29.PDB 4.23021 -4.86000 -0.27000 -2.42000 -10.06000 -1.79000 10.96000 -12.33000 2.22000 7.02000 3.86000 0.00000 0.00000 0.00000 0.19000 0.55000 0.00000 -0.71000 0.00000 -1.53000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-17_30.PDB 3.53756 -4.58000 -0.35000 -2.83000 -9.36000 -0.88000 9.84000 -11.62000 1.94000 5.75000 4.22000 0.00000 0.00000 0.00000 0.20000 0.58000 0.00000 -0.88000 0.00000 -0.59000 0.00000 2.38000 66.00000