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-1_1.PDB 4.65177 -8.45000 -1.75000 -3.42000 -9.62000 -1.59000 10.25000 -11.96000 1.91000 6.17000 3.65000 0.00000 0.00000 0.00000 0.79000 0.89000 0.00000 -0.90000 0.00000 -1.97000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-1_2.PDB 4.70191 -10.50000 -1.13000 -4.46000 -9.32000 -1.67000 9.92000 -11.73000 0.79000 5.48000 3.27000 0.00000 0.00000 0.00000 0.70000 0.53000 0.00000 -0.42000 0.00000 -1.93000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-1_3.PDB 4.77084 -9.86000 -1.19000 -3.64000 -10.09000 -1.71000 9.74000 -12.89000 3.76000 5.10000 2.97000 0.00000 0.00000 0.00000 0.94000 0.56000 0.00000 -0.91000 0.00000 -1.94000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-1_4.PDB 4.90187 -7.85000 -2.02000 -2.12000 -10.19000 -1.68000 10.20000 -13.08000 2.80000 6.10000 3.43000 0.00000 0.00000 0.00000 1.19000 0.55000 0.00000 -0.54000 0.00000 -1.93000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-1_5.PDB 6.05978 -10.89000 -1.14000 -3.91000 -10.09000 -1.20000 9.12000 -13.30000 2.74000 4.95000 2.89000 0.00000 0.00000 0.00000 0.86000 0.86000 0.00000 -0.40000 0.00000 -1.42000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-1_6.PDB 5.19995 -11.49000 -1.18000 -3.34000 -9.26000 -2.02000 9.56000 -11.35000 0.57000 4.57000 3.28000 0.00000 0.00000 0.00000 0.80000 0.34000 0.00000 -0.88000 0.00000 -2.24000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-1_7.PDB 5.08940 -11.06000 -1.11000 -3.07000 -9.36000 -0.80000 7.77000 -12.87000 1.68000 4.31000 2.92000 0.00000 0.00000 0.00000 0.80000 0.67000 0.00000 -0.27000 0.00000 -1.06000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-1_8.PDB 4.79309 -8.97000 -1.16000 -3.36000 -10.40000 -1.93000 10.19000 -13.08000 4.21000 5.56000 2.80000 0.00000 0.00000 0.00000 1.10000 0.60000 0.00000 -0.80000 0.00000 -2.10000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-1_9.PDB 4.26551 -8.23000 -1.22000 -5.02000 -10.58000 -1.60000 10.65000 -13.34000 5.78000 5.83000 2.97000 0.00000 0.00000 0.00000 0.80000 0.58000 0.00000 -0.73000 0.00000 -1.77000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-1_10.PDB 4.78267 -6.02000 -1.22000 -3.17000 -9.61000 -1.64000 9.20000 -12.26000 5.06000 5.76000 3.26000 0.00000 0.00000 0.00000 0.84000 0.51000 0.00000 -0.23000 0.00000 -1.99000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-1_11.PDB 5.72756 -10.34000 -2.03000 -3.54000 -9.15000 -1.65000 9.66000 -11.51000 0.47000 5.54000 3.26000 0.00000 0.00000 0.00000 1.19000 0.62000 0.00000 -0.53000 0.00000 -2.05000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-1_12.PDB 5.23832 -9.55000 -1.17000 -3.04000 -8.70000 -1.58000 8.34000 -11.16000 1.46000 4.59000 3.15000 0.00000 0.00000 0.00000 0.78000 0.46000 0.00000 -0.29000 0.00000 -1.93000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-1_13.PDB 4.54880 -10.56000 -1.12000 -3.86000 -9.49000 -1.54000 9.00000 -12.16000 2.58000 4.46000 3.32000 0.00000 0.00000 0.00000 0.59000 0.63000 0.00000 -0.51000 0.00000 -1.82000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-1_14.PDB 5.77916 -11.25000 -1.16000 -3.38000 -9.70000 -1.56000 9.28000 -12.56000 0.85000 5.52000 3.28000 0.00000 0.00000 0.00000 0.45000 0.63000 0.00000 -0.39000 0.00000 -1.88000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-1_15.PDB 5.24303 -9.94000 -1.11000 -2.99000 -10.07000 -1.72000 9.60000 -13.30000 2.58000 5.65000 2.83000 0.00000 0.00000 0.00000 0.78000 0.66000 0.00000 -0.19000 0.00000 -2.01000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-1_16.PDB 4.64583 -9.50000 -1.08000 -2.84000 -10.22000 -1.70000 9.69000 -12.93000 3.65000 5.12000 2.53000 0.00000 0.00000 0.00000 0.78000 0.78000 0.00000 -0.54000 0.00000 -1.94000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-1_17.PDB 3.89802 -10.71000 -1.13000 -2.72000 -8.40000 -1.18000 7.66000 -11.16000 0.26000 3.78000 3.14000 0.00000 0.00000 0.00000 0.76000 0.54000 0.00000 -0.26000 0.00000 -1.46000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-1_18.PDB 5.25552 -9.42000 -1.18000 -4.27000 -9.25000 -1.13000 8.69000 -12.26000 2.72000 4.93000 3.24000 0.00000 0.00000 0.00000 1.06000 0.60000 0.00000 -0.58000 0.00000 -1.41000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-1_19.PDB 4.17754 -7.68000 -1.06000 -2.76000 -9.91000 -1.65000 9.59000 -12.50000 4.16000 5.06000 2.98000 0.00000 0.00000 0.00000 0.69000 0.60000 0.00000 -0.31000 0.00000 -1.94000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-1_20.PDB 4.58341 -8.95000 -1.11000 -3.04000 -8.74000 -0.95000 7.82000 -11.60000 2.35000 3.98000 3.15000 0.00000 0.00000 0.00000 0.81000 0.47000 0.00000 -0.39000 0.00000 -1.22000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-1_21.PDB 5.14135 -10.59000 -1.10000 -3.81000 -9.28000 -1.40000 9.45000 -11.72000 0.89000 4.53000 3.14000 0.00000 0.00000 0.00000 0.71000 0.47000 0.00000 -0.42000 0.00000 -1.59000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-1_22.PDB 4.92410 -11.64000 -1.17000 -4.42000 -9.59000 -2.07000 10.08000 -11.55000 0.53000 5.63000 3.11000 0.00000 0.00000 0.00000 0.74000 0.39000 0.00000 -0.61000 0.00000 -2.33000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-1_23.PDB 5.53800 -8.92000 -1.17000 -3.19000 -9.04000 -1.24000 8.66000 -11.54000 2.03000 4.45000 3.14000 0.00000 0.00000 0.00000 0.87000 0.36000 0.00000 -0.35000 0.00000 -1.55000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-1_24.PDB 5.39185 -6.79000 -1.16000 -2.91000 -9.46000 -1.25000 9.10000 -11.91000 4.87000 4.36000 2.67000 0.00000 0.00000 0.00000 1.17000 0.45000 0.00000 -0.83000 0.00000 -1.43000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-1_25.PDB 4.78652 -7.80000 -1.15000 -4.15000 -9.07000 -1.31000 9.14000 -11.69000 3.42000 5.10000 3.10000 0.00000 0.00000 0.00000 0.73000 0.52000 0.00000 -0.30000 0.00000 -1.62000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-1_26.PDB 5.32175 -11.50000 -1.13000 -3.95000 -9.47000 -1.45000 8.72000 -12.20000 2.07000 3.90000 3.25000 0.00000 0.00000 0.00000 0.83000 0.59000 0.00000 -0.47000 0.00000 -1.61000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-1_27.PDB 4.62788 -7.74000 -1.18000 -3.03000 -10.95000 -1.68000 10.99000 -13.76000 4.47000 5.66000 3.26000 0.00000 0.00000 0.00000 0.92000 0.70000 0.00000 -0.61000 0.00000 -1.85000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-1_28.PDB 4.38794 -6.99000 -1.17000 -3.99000 -10.11000 -1.09000 10.04000 -12.97000 4.81000 5.21000 3.07000 0.00000 0.00000 0.00000 0.90000 0.56000 0.00000 -0.38000 0.00000 -1.30000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-1_29.PDB 4.34739 -11.46000 -1.17000 -2.73000 -8.90000 -0.70000 7.70000 -12.09000 0.55000 3.63000 2.76000 0.00000 0.00000 0.00000 0.73000 0.63000 0.00000 -0.31000 0.00000 -0.92000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-1_30.PDB 5.05698 -9.51000 -1.12000 -3.10000 -10.58000 -1.12000 10.29000 -13.72000 2.13000 5.80000 2.80000 0.00000 0.00000 0.00000 1.28000 0.59000 0.00000 -0.96000 0.00000 -1.20000 0.00000 2.38000 67.00000