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 LSB3_CKB-OOT-23_1.PDB 1.16000 -40.47000 -10.58000 -66.01000 -1.01000 79.18000 -85.74000 6.19000 31.79000 88.04000 0.00000 0.00000 0.00000 2.33000 18.89000 0.00000 -1.78000 0.00000 -0.79000 0.00000 0.00000 64.00000 LSB3_CKB-OOT-23_2.PDB -0.22000 -40.96000 -11.06000 -65.70000 -0.86000 79.13000 -85.54000 5.44000 31.61000 88.03000 0.00000 0.00000 0.00000 2.44000 18.77000 0.00000 -2.18000 0.00000 -0.57000 0.00000 0.00000 64.00000 LSB3_CKB-OOT-23_3.PDB 2.03000 -40.21000 -10.39000 -64.96000 -0.96000 78.80000 -84.11000 5.62000 30.88000 87.42000 0.00000 0.00000 0.00000 2.79000 18.84000 0.00000 -1.94000 0.00000 -0.91000 0.00000 0.00000 64.00000 LSB3_CKB-OOT-23_4.PDB 1.63000 -39.84000 -10.81000 -65.64000 -0.89000 79.20000 -85.37000 5.83000 31.84000 87.35000 0.00000 0.00000 0.00000 2.31000 18.86000 0.00000 -1.78000 0.00000 -0.56000 0.00000 0.00000 64.00000 LSB3_CKB-OOT-23_5.PDB 1.54000 -40.27000 -11.65000 -64.72000 -0.66000 78.20000 -84.13000 6.54000 31.34000 86.92000 0.00000 0.00000 0.00000 2.40000 18.80000 0.00000 -1.92000 0.00000 -0.50000 0.00000 0.00000 64.00000 LSB3_CKB-OOT-23_6.PDB 1.84000 -39.52000 -9.61000 -64.79000 -0.97000 77.84000 -84.22000 5.49000 30.02000 87.52000 0.00000 0.00000 0.00000 2.64000 18.88000 0.00000 -1.89000 0.00000 -0.67000 0.00000 0.00000 64.00000 LSB3_CKB-OOT-23_7.PDB 0.38000 -40.00000 -10.11000 -65.94000 -1.14000 79.00000 -85.76000 5.48000 31.58000 87.90000 0.00000 0.00000 0.00000 2.40000 18.85000 0.00000 -2.06000 0.00000 -0.97000 0.00000 0.00000 64.00000 LSB3_CKB-OOT-23_8.PDB 0.61000 -40.45000 -10.53000 -66.35000 -1.05000 79.73000 -86.10000 6.01000 32.14000 87.72000 0.00000 0.00000 0.00000 2.35000 18.98000 0.00000 -2.03000 0.00000 -0.84000 0.00000 0.00000 64.00000 LSB3_CKB-OOT-23_9.PDB 0.08000 -40.04000 -10.14000 -65.75000 -0.92000 78.40000 -85.85000 5.72000 31.06000 87.70000 0.00000 0.00000 0.00000 2.43000 18.73000 0.00000 -1.89000 0.00000 -0.63000 0.00000 0.00000 64.00000 LSB3_CKB-OOT-23_10.PDB 0.96000 -40.02000 -10.13000 -65.55000 -0.94000 78.66000 -85.14000 5.52000 31.16000 87.81000 0.00000 0.00000 0.00000 2.47000 18.87000 0.00000 -2.00000 0.00000 -0.87000 0.00000 0.00000 64.00000 LSB3_CKB-OOT-23_11.PDB 0.44000 -40.49000 -10.63000 -65.91000 -0.87000 79.57000 -85.71000 5.65000 31.80000 87.53000 0.00000 0.00000 0.00000 2.22000 18.90000 0.00000 -2.02000 0.00000 -0.70000 0.00000 0.00000 64.00000 LSB3_CKB-OOT-23_12.PDB 0.96000 -39.94000 -11.06000 -65.26000 -1.04000 78.71000 -84.85000 5.55000 31.72000 87.22000 0.00000 0.00000 0.00000 2.64000 18.73000 0.00000 -1.89000 0.00000 -0.84000 0.00000 0.00000 64.00000 LSB3_CKB-OOT-23_13.PDB 1.72000 -40.33000 -11.62000 -65.32000 -0.89000 78.77000 -84.67000 6.52000 31.97000 87.25000 0.00000 0.00000 0.00000 2.63000 18.84000 0.00000 -1.88000 0.00000 -0.71000 0.00000 0.00000 64.00000 LSB3_CKB-OOT-23_14.PDB 1.35000 -40.08000 -10.18000 -65.84000 -0.78000 79.28000 -85.80000 5.99000 31.33000 87.57000 0.00000 0.00000 0.00000 2.27000 18.81000 0.00000 -1.85000 0.00000 -0.56000 0.00000 0.00000 64.00000 LSB3_CKB-OOT-23_15.PDB 1.23000 -40.11000 -10.21000 -65.36000 -0.81000 78.68000 -85.07000 5.45000 30.97000 87.26000 0.00000 0.00000 0.00000 2.67000 18.86000 0.00000 -1.75000 0.00000 -0.49000 0.00000 0.00000 64.00000 LSB3_CKB-OOT-23_16.PDB 1.68000 -39.42000 -9.45000 -64.79000 -0.92000 77.85000 -84.44000 5.66000 29.83000 87.53000 0.00000 0.00000 0.00000 2.41000 18.74000 0.00000 -1.88000 0.00000 -0.69000 0.00000 0.00000 64.00000 LSB3_CKB-OOT-23_17.PDB 0.48000 -40.13000 -10.21000 -65.84000 -1.12000 78.86000 -85.70000 5.66000 31.41000 87.81000 0.00000 0.00000 0.00000 2.47000 18.93000 0.00000 -1.85000 0.00000 -0.88000 0.00000 0.00000 64.00000 LSB3_CKB-OOT-23_18.PDB 1.15000 -40.01000 -11.29000 -65.50000 -1.14000 79.12000 -84.97000 5.72000 32.18000 87.58000 0.00000 0.00000 0.00000 2.43000 18.95000 0.00000 -2.03000 0.00000 -0.93000 0.00000 0.00000 64.00000 LSB3_CKB-OOT-23_19.PDB 2.14000 -40.38000 -10.42000 -65.33000 -1.29000 79.21000 -84.38000 5.91000 31.56000 87.97000 0.00000 0.00000 0.00000 2.45000 18.77000 0.00000 -1.89000 0.00000 -1.27000 0.00000 0.00000 64.00000 LSB3_CKB-OOT-23_20.PDB 2.49000 -40.77000 -11.59000 -65.96000 -1.37000 80.90000 -85.17000 7.15000 32.28000 87.79000 0.00000 0.00000 0.00000 2.49000 18.90000 0.00000 -2.06000 0.00000 -1.20000 0.00000 0.00000 64.00000 LSB3_CKB-OOT-23_21.PDB 1.28000 -40.62000 -10.78000 -64.66000 -0.71000 78.12000 -84.03000 6.67000 30.69000 86.70000 0.00000 0.00000 0.00000 2.25000 18.83000 0.00000 -1.92000 0.00000 -0.42000 0.00000 0.00000 64.00000 LSB3_CKB-OOT-23_22.PDB 1.86000 -39.76000 -9.84000 -64.68000 -0.95000 78.01000 -84.13000 5.85000 30.14000 87.28000 0.00000 0.00000 0.00000 2.45000 18.80000 0.00000 -2.00000 0.00000 -0.49000 0.00000 0.00000 64.00000 LSB3_CKB-OOT-23_23.PDB 0.49000 -40.23000 -10.36000 -65.97000 -0.93000 78.95000 -86.03000 6.66000 31.34000 87.57000 0.00000 0.00000 0.00000 2.20000 18.85000 0.00000 -1.93000 0.00000 -0.79000 0.00000 0.00000 64.00000 LSB3_CKB-OOT-23_24.PDB 0.33000 -40.00000 -11.27000 -65.33000 -0.95000 78.60000 -85.06000 5.61000 31.83000 87.06000 0.00000 0.00000 0.00000 2.31000 18.88000 0.00000 -1.87000 0.00000 -0.60000 0.00000 0.00000 64.00000 LSB3_CKB-OOT-23_25.PDB 1.63000 -39.97000 -10.02000 -65.38000 -0.88000 78.79000 -84.81000 5.66000 30.79000 87.69000 0.00000 0.00000 0.00000 2.44000 18.94000 0.00000 -1.97000 0.00000 -0.70000 0.00000 0.00000 64.00000 LSB3_CKB-OOT-23_26.PDB 1.10000 -39.79000 -9.87000 -65.65000 -1.03000 78.96000 -85.45000 5.68000 30.94000 87.50000 0.00000 0.00000 0.00000 2.35000 18.98000 0.00000 -1.85000 0.00000 -0.70000 0.00000 0.00000 64.00000 LSB3_CKB-OOT-23_27.PDB 1.07000 -39.40000 -9.50000 -65.57000 -1.13000 78.80000 -85.54000 5.64000 30.43000 87.78000 0.00000 0.00000 0.00000 2.51000 18.84000 0.00000 -2.02000 0.00000 -0.90000 0.00000 0.00000 64.00000 LSB3_CKB-OOT-23_28.PDB 1.35000 -40.72000 -10.82000 -65.17000 -1.09000 79.32000 -84.26000 5.73000 31.65000 87.51000 0.00000 0.00000 0.00000 2.54000 18.70000 0.00000 -2.14000 0.00000 -1.19000 0.00000 0.00000 64.00000 LSB3_CKB-OOT-23_29.PDB 0.73000 -40.14000 -10.23000 -66.46000 -0.97000 79.90000 -86.46000 5.55000 31.89000 87.98000 0.00000 0.00000 0.00000 2.36000 18.94000 0.00000 -1.85000 0.00000 -0.85000 0.00000 0.00000 64.00000 LSB3_CKB-OOT-23_30.PDB 3.47000 -40.55000 -11.88000 -64.30000 -1.25000 79.24000 -82.92000 7.62000 31.17000 86.73000 0.00000 0.00000 0.00000 2.66000 18.70000 0.00000 -1.89000 0.00000 -1.17000 0.00000 0.00000 64.00000