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-20_1.PDB 2.10594 -4.87000 -1.25000 -2.26000 -7.43000 -0.79000 8.80000 -7.97000 0.32000 3.97000 2.70000 0.00000 0.00000 0.00000 0.03000 0.46000 0.00000 -0.29000 0.00000 -0.70000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-20_2.PDB 2.03593 -3.94000 -0.45000 -0.58000 -7.26000 -0.66000 7.14000 -8.83000 1.72000 3.44000 2.58000 0.00000 0.00000 0.00000 0.06000 0.27000 0.00000 -0.32000 0.00000 -0.79000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-20_3.PDB 1.88135 -4.13000 -0.43000 -2.68000 -6.20000 -0.24000 6.57000 -7.21000 0.26000 3.62000 2.76000 0.00000 0.00000 0.00000 0.02000 0.17000 0.00000 -0.27000 0.00000 -0.32000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-20_4.PDB 1.96391 -4.55000 -0.44000 -3.00000 -6.73000 -0.78000 7.46000 -7.63000 0.59000 3.82000 2.85000 0.00000 0.00000 0.00000 0.02000 0.33000 0.00000 -0.13000 0.00000 -0.58000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-20_5.PDB 1.94588 -4.60000 -0.44000 -2.95000 -6.11000 -0.44000 6.47000 -7.12000 0.23000 3.85000 2.66000 0.00000 0.00000 0.00000 0.02000 0.12000 0.00000 -0.26000 0.00000 -0.50000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-20_6.PDB 2.15529 -4.49000 -0.43000 -2.11000 -6.63000 -0.54000 6.46000 -8.21000 1.06000 3.94000 2.94000 0.00000 0.00000 0.00000 0.03000 0.11000 0.00000 -0.34000 0.00000 -0.65000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-20_7.PDB 2.46399 -4.55000 -0.44000 -1.56000 -7.81000 -1.07000 8.29000 -9.09000 1.31000 3.87000 3.15000 0.00000 0.00000 0.00000 0.02000 0.40000 0.00000 -0.25000 0.00000 -0.98000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-20_8.PDB 1.96024 -4.75000 -0.44000 -3.22000 -7.34000 -1.19000 7.79000 -8.80000 1.32000 4.53000 3.76000 0.00000 0.00000 0.00000 0.01000 0.21000 0.00000 -0.07000 0.00000 -1.10000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-20_9.PDB 2.67577 -3.67000 -0.42000 -1.64000 -6.00000 -0.20000 6.20000 -7.10000 0.30000 2.88000 2.61000 0.00000 0.00000 0.00000 0.02000 0.13000 0.00000 -0.06000 0.00000 -0.27000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-20_10.PDB 1.72822 -4.82000 -0.43000 -2.08000 -7.34000 -0.55000 7.41000 -9.18000 0.42000 4.56000 3.17000 0.00000 0.00000 0.00000 0.03000 0.38000 0.00000 -0.23000 0.00000 -0.61000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-20_11.PDB 2.14750 -4.11000 -0.43000 -2.95000 -7.53000 -0.52000 8.24000 -8.73000 0.46000 5.19000 2.84000 0.00000 0.00000 0.00000 0.04000 0.46000 0.00000 -0.20000 0.00000 -0.51000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-20_12.PDB 2.39667 -5.15000 -1.32000 -1.46000 -8.53000 -0.67000 8.91000 -10.31000 1.29000 5.44000 2.78000 0.00000 0.00000 0.00000 0.04000 0.53000 0.00000 -0.55000 0.00000 -0.77000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-20_13.PDB 2.39809 -4.52000 -0.42000 -3.46000 -7.43000 -1.20000 8.46000 -8.73000 1.42000 4.68000 3.50000 0.00000 0.00000 0.00000 0.02000 0.26000 0.00000 -0.34000 0.00000 -1.02000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-20_14.PDB 2.36539 -5.91000 -0.53000 -2.13000 -8.36000 -1.28000 8.29000 -10.55000 1.54000 4.80000 3.56000 0.00000 0.00000 0.00000 0.06000 0.48000 0.00000 -0.17000 0.00000 -1.14000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-20_15.PDB 1.86230 -5.23000 -0.53000 -2.54000 -8.02000 -1.19000 8.57000 -9.77000 0.86000 5.04000 3.12000 0.00000 0.00000 0.00000 0.10000 0.49000 0.00000 -0.19000 0.00000 -0.69000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-20_16.PDB 2.01552 -5.19000 -0.52000 -1.71000 -7.65000 -0.80000 7.81000 -9.39000 0.53000 4.24000 3.18000 0.00000 0.00000 0.00000 0.02000 0.43000 0.00000 -0.22000 0.00000 -0.69000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-20_17.PDB 1.98253 -5.25000 -0.50000 -2.09000 -7.48000 -0.93000 7.70000 -9.20000 0.50000 4.45000 3.04000 0.00000 0.00000 0.00000 0.05000 0.43000 0.00000 -0.09000 0.00000 -0.69000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-20_18.PDB 2.00512 -3.70000 -1.03000 -3.37000 -5.87000 -0.54000 6.88000 -6.41000 0.30000 4.28000 3.03000 0.00000 0.00000 0.00000 0.02000 0.14000 0.00000 -0.40000 0.00000 -0.58000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-20_19.PDB 2.43888 -4.63000 -0.70000 -0.84000 -8.69000 -0.67000 8.51000 -10.94000 1.41000 4.84000 3.36000 0.00000 0.00000 0.00000 0.04000 0.44000 0.00000 -0.14000 0.00000 -0.80000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-20_20.PDB 1.97787 -4.95000 -0.44000 -2.09000 -7.99000 -0.62000 7.39000 -10.48000 1.43000 4.96000 3.74000 0.00000 0.00000 0.00000 0.03000 0.35000 0.00000 -0.19000 0.00000 -0.70000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-20_21.PDB 2.70913 -5.11000 -2.14000 -2.25000 -10.23000 -0.99000 11.18000 -12.35000 2.39000 7.32000 3.67000 0.00000 0.00000 0.00000 0.04000 0.51000 0.00000 -0.64000 0.00000 -1.11000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-20_22.PDB 1.77771 -3.97000 -0.43000 -2.10000 -8.23000 -0.42000 8.30000 -10.41000 1.31000 5.64000 3.10000 0.00000 0.00000 0.00000 0.02000 0.44000 0.00000 -0.28000 0.00000 -0.46000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-20_23.PDB 1.81318 -5.17000 -0.50000 -2.11000 -7.70000 -0.98000 8.07000 -9.38000 0.54000 4.50000 3.12000 0.00000 0.00000 0.00000 0.05000 0.49000 0.00000 -0.09000 0.00000 -0.69000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-20_24.PDB 2.32665 -4.25000 -1.04000 -2.78000 -6.43000 -0.84000 6.72000 -7.69000 1.17000 4.57000 3.28000 0.00000 0.00000 0.00000 0.04000 0.14000 0.00000 -0.34000 0.00000 -0.91000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-20_25.PDB 1.77017 -3.83000 -1.04000 -3.38000 -5.98000 -0.88000 7.23000 -6.48000 0.26000 4.16000 3.06000 0.00000 0.00000 0.00000 0.02000 0.20000 0.00000 -0.11000 0.00000 -0.69000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-20_26.PDB 1.91603 -3.61000 -1.06000 -3.53000 -5.86000 -0.44000 6.83000 -6.45000 0.28000 4.40000 3.03000 0.00000 0.00000 0.00000 0.03000 0.14000 0.00000 -0.36000 0.00000 -0.46000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-20_27.PDB 1.76615 -4.25000 -1.07000 -3.60000 -5.65000 -0.35000 6.38000 -6.32000 0.24000 3.93000 3.00000 0.00000 0.00000 0.00000 0.03000 0.15000 0.00000 -0.43000 0.00000 -0.41000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-20_28.PDB 1.82145 -4.67000 -0.49000 -3.04000 -6.76000 -0.86000 7.62000 -7.63000 0.35000 4.01000 2.87000 0.00000 0.00000 0.00000 0.02000 0.32000 0.00000 -0.15000 0.00000 -0.61000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-20_29.PDB 2.08956 -4.55000 -2.19000 -3.21000 -7.29000 -1.05000 9.19000 -7.48000 0.29000 5.25000 3.06000 0.00000 0.00000 0.00000 0.02000 0.27000 0.00000 -0.16000 0.00000 -0.98000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-20_30.PDB 2.83219 -4.91000 -2.11000 -2.22000 -10.21000 -0.95000 11.10000 -12.43000 2.41000 7.61000 3.60000 0.00000 0.00000 0.00000 0.02000 0.58000 0.00000 -0.67000 0.00000 -1.06000 0.00000 2.38000 66.00000