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-19_1.PDB 3.84505 -7.71000 -0.96000 -1.08000 -9.61000 -1.15000 9.33000 -13.07000 0.60000 5.37000 3.85000 0.00000 0.00000 0.00000 0.28000 0.48000 0.00000 -0.80000 0.00000 -0.47000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-19_2.PDB 3.83278 -7.13000 -0.42000 -0.95000 -10.04000 -1.23000 9.47000 -13.65000 0.58000 5.63000 4.35000 0.00000 0.00000 0.00000 0.27000 0.59000 0.00000 -0.62000 0.00000 -0.52000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-19_3.PDB 3.50783 -7.18000 -0.94000 -1.09000 -8.79000 -1.17000 8.41000 -12.27000 0.58000 5.16000 3.84000 0.00000 0.00000 0.00000 0.24000 0.30000 0.00000 -0.60000 0.00000 -0.54000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-19_4.PDB 4.10478 -6.25000 -0.99000 -1.81000 -9.45000 -1.22000 9.64000 -12.63000 1.40000 6.03000 3.67000 0.00000 0.00000 0.00000 0.28000 0.50000 0.00000 -0.63000 0.00000 -0.55000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-19_5.PDB 4.34355 -6.14000 -0.42000 -0.55000 -8.56000 -1.09000 8.44000 -11.82000 0.76000 4.19000 3.61000 0.00000 0.00000 0.00000 0.24000 0.34000 0.00000 -0.46000 0.00000 -0.47000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-19_6.PDB 4.03630 -6.45000 -0.42000 -1.30000 -9.66000 -1.21000 9.32000 -13.10000 0.66000 6.06000 4.00000 0.00000 0.00000 0.00000 0.31000 0.61000 0.00000 -0.57000 0.00000 -0.54000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-19_7.PDB 3.44875 -6.58000 -1.01000 -1.34000 -9.87000 -1.24000 9.75000 -13.28000 0.82000 6.14000 4.65000 0.00000 0.00000 0.00000 0.24000 0.69000 0.00000 -0.90000 0.00000 -0.53000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-19_8.PDB 4.31695 -6.41000 -0.94000 -1.05000 -9.01000 -1.07000 9.07000 -12.01000 1.00000 4.89000 3.68000 0.00000 0.00000 0.00000 0.26000 0.47000 0.00000 -0.83000 0.00000 -0.40000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-19_9.PDB 3.58092 -5.41000 -0.41000 -0.55000 -9.83000 -1.21000 11.09000 -12.91000 0.58000 4.55000 4.31000 0.00000 0.00000 0.00000 0.22000 0.85000 0.00000 -0.78000 0.00000 -0.48000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-19_10.PDB 3.68521 -6.14000 -0.99000 -1.98000 -8.45000 -1.21000 8.99000 -11.39000 0.54000 5.25000 4.25000 0.00000 0.00000 0.00000 0.23000 0.24000 0.00000 -0.87000 0.00000 -0.51000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-19_11.PDB 4.31394 -6.87000 -0.99000 -1.16000 -8.39000 -1.09000 8.16000 -11.66000 0.57000 4.73000 3.66000 0.00000 0.00000 0.00000 0.24000 0.32000 0.00000 -0.52000 0.00000 -0.41000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-19_12.PDB 3.52762 -6.79000 -0.42000 -0.83000 -8.61000 -1.24000 8.40000 -11.99000 0.53000 4.88000 3.29000 0.00000 0.00000 0.00000 0.23000 0.31000 0.00000 -0.49000 0.00000 -0.54000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-19_13.PDB 4.31855 -6.88000 -0.93000 -1.04000 -8.46000 -1.11000 8.22000 -11.68000 0.53000 4.68000 3.70000 0.00000 0.00000 0.00000 0.27000 0.32000 0.00000 -0.60000 0.00000 -0.45000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-19_14.PDB 3.57586 -6.66000 -0.38000 -0.54000 -8.90000 -1.16000 8.85000 -12.17000 0.54000 4.42000 3.48000 0.00000 0.00000 0.00000 0.22000 0.30000 0.00000 -0.52000 0.00000 -0.52000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-19_15.PDB 3.74868 -8.00000 -0.96000 -3.00000 -9.51000 -1.18000 9.43000 -12.80000 1.13000 6.36000 3.81000 0.00000 0.00000 0.00000 0.28000 0.53000 0.00000 -1.01000 0.00000 -0.56000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-19_16.PDB 3.73873 -7.11000 -0.33000 -3.83000 -9.67000 -1.18000 9.44000 -13.05000 1.25000 7.07000 4.35000 0.00000 0.00000 0.00000 0.25000 0.65000 0.00000 -0.82000 0.00000 -0.58000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-19_17.PDB 4.68473 -7.75000 -0.94000 -1.44000 -8.71000 -1.26000 8.42000 -11.87000 0.49000 5.31000 3.77000 0.00000 0.00000 0.00000 0.25000 0.39000 0.00000 -0.61000 0.00000 -1.16000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-19_18.PDB 3.61619 -7.21000 -0.42000 -2.43000 -9.16000 -1.29000 8.73000 -12.43000 1.13000 6.11000 4.27000 0.00000 0.00000 0.00000 0.23000 0.61000 0.00000 -0.75000 0.00000 -1.19000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-19_19.PDB 4.57038 -4.73000 -0.42000 -1.24000 -7.90000 -1.03000 8.92000 -10.44000 0.84000 4.06000 3.26000 0.00000 0.00000 0.00000 0.22000 0.32000 0.00000 -0.60000 0.00000 -0.39000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-19_20.PDB 3.66360 -5.84000 -0.96000 -1.84000 -8.36000 -1.21000 8.79000 -11.29000 0.90000 5.07000 4.00000 0.00000 0.00000 0.00000 0.27000 0.36000 0.00000 -0.75000 0.00000 -0.48000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-19_21.PDB 3.60195 -5.66000 -0.94000 -1.95000 -8.26000 -1.17000 9.22000 -10.98000 0.61000 5.12000 3.54000 0.00000 0.00000 0.00000 0.23000 0.24000 0.00000 -0.58000 0.00000 -0.50000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-19_22.PDB 4.02434 -5.29000 -0.99000 -1.16000 -8.18000 -1.07000 8.57000 -10.96000 0.59000 4.58000 4.02000 0.00000 0.00000 0.00000 0.25000 0.25000 0.00000 -0.56000 0.00000 -0.38000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-19_23.PDB 3.81002 -7.74000 -0.98000 -3.15000 -9.24000 -1.14000 9.35000 -12.37000 0.77000 6.34000 3.55000 0.00000 0.00000 0.00000 0.27000 0.56000 0.00000 -0.63000 0.00000 -0.52000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-19_24.PDB 3.50086 -6.82000 -0.42000 -2.51000 -9.61000 -1.14000 9.72000 -12.85000 0.89000 6.26000 3.99000 0.00000 0.00000 0.00000 0.24000 0.74000 0.00000 -0.86000 0.00000 -0.53000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-19_25.PDB 3.64675 -8.18000 -0.95000 -3.17000 -8.76000 -1.18000 8.56000 -12.12000 0.70000 6.12000 3.75000 0.00000 0.00000 0.00000 0.23000 0.35000 0.00000 -0.74000 0.00000 -0.60000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-19_26.PDB 3.53530 -7.26000 -0.28000 -1.83000 -8.72000 -1.01000 8.38000 -12.11000 0.58000 5.20000 3.53000 0.00000 0.00000 0.00000 0.22000 0.38000 0.00000 -0.68000 0.00000 -0.55000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-19_27.PDB 3.54294 -7.46000 -0.42000 -0.56000 -8.13000 -1.21000 7.61000 -11.39000 0.53000 4.02000 3.52000 0.00000 0.00000 0.00000 0.22000 0.21000 0.00000 -0.49000 0.00000 -1.14000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-19_28.PDB 3.96542 -6.65000 -0.42000 -0.56000 -8.81000 -1.08000 8.34000 -11.93000 0.74000 4.49000 4.04000 0.00000 0.00000 0.00000 0.24000 0.66000 0.00000 -0.68000 0.00000 -1.01000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-19_29.PDB 3.80900 -7.63000 -0.91000 -1.05000 -7.80000 -1.22000 7.31000 -10.87000 0.44000 4.32000 3.67000 0.00000 0.00000 0.00000 0.23000 0.23000 0.00000 -0.60000 0.00000 -1.15000 0.00000 2.38000 66.00000 LSB3_CKB-OOT-19_30.PDB 3.63738 -6.89000 -0.90000 -1.49000 -8.43000 -1.20000 8.28000 -11.43000 0.83000 5.30000 3.56000 0.00000 0.00000 0.00000 0.24000 0.36000 0.00000 -0.55000 0.00000 -1.10000 0.00000 2.38000 66.00000