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-23_1.PDB 2.62004 -7.15000 -0.58000 -0.54000 -6.68000 -0.80000 5.02000 -9.61000 0.48000 3.82000 2.62000 0.00000 0.00000 0.00000 0.05000 0.80000 0.00000 -0.14000 0.00000 -0.79000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-23_2.PDB 1.99794 -7.45000 -0.83000 -0.81000 -6.44000 -0.59000 4.73000 -9.24000 0.23000 3.30000 2.95000 0.00000 0.00000 0.00000 0.09000 0.71000 0.00000 -0.26000 0.00000 -0.57000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-23_3.PDB 2.37678 -6.94000 -0.87000 -0.93000 -5.88000 -0.94000 4.84000 -8.32000 0.23000 3.44000 2.59000 0.00000 0.00000 0.00000 0.10000 0.83000 0.00000 -0.29000 0.00000 -0.91000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-23_4.PDB 2.36468 -6.71000 -0.56000 -1.39000 -6.49000 -0.62000 4.88000 -9.34000 0.47000 4.39000 2.61000 0.00000 0.00000 0.00000 0.04000 0.76000 0.00000 -0.14000 0.00000 -0.56000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-23_5.PDB 3.06826 -6.23000 -0.60000 -1.78000 -5.69000 -0.58000 4.74000 -8.09000 0.21000 4.04000 2.24000 0.00000 0.00000 0.00000 0.06000 0.75000 0.00000 -0.27000 0.00000 -0.50000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-23_6.PDB 2.27479 -7.38000 -0.86000 -0.82000 -6.03000 -0.76000 4.72000 -8.62000 0.20000 3.32000 2.30000 0.00000 0.00000 0.00000 0.09000 0.74000 0.00000 -0.23000 0.00000 -0.67000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-23_7.PDB 1.99402 -7.51000 -0.69000 -0.66000 -6.38000 -1.02000 4.63000 -9.23000 0.26000 3.83000 2.92000 0.00000 0.00000 0.00000 0.05000 0.80000 0.00000 -0.25000 0.00000 -0.97000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-23_8.PDB 2.41551 -6.82000 -0.56000 -0.50000 -6.21000 -0.90000 4.84000 -8.86000 0.32000 3.50000 2.41000 0.00000 0.00000 0.00000 0.06000 0.79000 0.00000 -0.07000 0.00000 -0.84000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-23_9.PDB 2.04232 -8.02000 -0.84000 -0.81000 -6.77000 -0.65000 4.71000 -9.88000 0.40000 3.81000 2.80000 0.00000 0.00000 0.00000 0.07000 0.74000 0.00000 -0.24000 0.00000 -0.63000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-23_10.PDB 2.15140 -7.25000 -0.71000 -0.68000 -6.21000 -0.89000 4.62000 -8.89000 0.21000 3.65000 2.79000 0.00000 0.00000 0.00000 0.06000 0.82000 0.00000 -0.34000 0.00000 -0.87000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-23_11.PDB 1.93315 -7.16000 -0.62000 -0.59000 -6.44000 -0.71000 4.79000 -9.26000 0.36000 3.64000 2.39000 0.00000 0.00000 0.00000 0.03000 0.74000 0.00000 -0.04000 0.00000 -0.70000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-23_12.PDB 2.81908 -6.58000 -0.59000 -1.57000 -5.97000 -0.87000 4.98000 -8.53000 0.23000 4.27000 2.47000 0.00000 0.00000 0.00000 0.11000 0.69000 0.00000 -0.27000 0.00000 -0.84000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-23_13.PDB 3.80868 -6.43000 -0.67000 -1.80000 -5.72000 -0.81000 4.65000 -8.05000 0.18000 4.26000 2.41000 0.00000 0.00000 0.00000 0.08000 0.73000 0.00000 -0.27000 0.00000 -0.71000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-23_14.PDB 2.17372 -7.08000 -0.61000 -0.55000 -6.45000 -0.58000 4.64000 -9.38000 0.27000 3.68000 2.65000 0.00000 0.00000 0.00000 0.05000 0.80000 0.00000 -0.23000 0.00000 -0.56000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-23_15.PDB 2.19560 -7.26000 -0.84000 -0.82000 -6.04000 -0.57000 4.54000 -8.71000 0.19000 3.27000 2.28000 0.00000 0.00000 0.00000 0.08000 0.75000 0.00000 -0.14000 0.00000 -0.49000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-23_16.PDB 2.53680 -7.33000 -0.83000 -0.77000 -6.14000 -0.72000 4.50000 -8.88000 0.22000 3.48000 2.71000 0.00000 0.00000 0.00000 0.05000 0.75000 0.00000 -0.25000 0.00000 -0.69000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-23_17.PDB 1.99273 -7.86000 -0.78000 -0.75000 -6.73000 -0.92000 4.84000 -9.83000 0.49000 3.92000 2.92000 0.00000 0.00000 0.00000 0.08000 0.89000 0.00000 -0.22000 0.00000 -0.88000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-23_18.PDB 2.05060 -6.74000 -0.59000 -1.75000 -6.00000 -0.99000 4.74000 -8.60000 0.48000 4.39000 2.79000 0.00000 0.00000 0.00000 0.06000 0.81000 0.00000 -0.35000 0.00000 -0.93000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-23_19.PDB 2.41682 -6.26000 -0.61000 -0.57000 -5.96000 -1.29000 5.07000 -8.16000 0.52000 3.63000 2.58000 0.00000 0.00000 0.00000 0.05000 0.64000 0.00000 -0.24000 0.00000 -1.27000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-23_20.PDB 2.41734 -5.83000 -0.86000 -1.53000 -6.70000 -1.40000 6.69000 -9.01000 1.46000 4.12000 2.68000 0.00000 0.00000 0.00000 0.08000 0.76000 0.00000 -0.16000 0.00000 -1.20000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-23_21.PDB 3.01242 -6.37000 -0.52000 -0.50000 -5.64000 -0.56000 4.49000 -8.09000 0.18000 3.01000 1.77000 0.00000 0.00000 0.00000 0.04000 0.74000 0.00000 -0.13000 0.00000 -0.42000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-23_22.PDB 2.73037 -6.59000 -0.79000 -0.76000 -5.86000 -0.73000 4.73000 -8.35000 0.23000 3.15000 2.41000 0.00000 0.00000 0.00000 0.05000 0.73000 0.00000 -0.18000 0.00000 -0.49000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-23_23.PDB 2.75435 -7.02000 -0.59000 -0.53000 -6.70000 -0.82000 5.11000 -9.69000 0.50000 3.97000 2.73000 0.00000 0.00000 0.00000 0.05000 0.76000 0.00000 -0.25000 0.00000 -0.79000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-23_24.PDB 1.98587 -7.21000 -0.60000 -1.73000 -6.30000 -0.68000 4.86000 -9.12000 0.29000 4.48000 2.37000 0.00000 0.00000 0.00000 0.04000 0.76000 0.00000 -0.22000 0.00000 -0.60000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-23_25.PDB 2.51352 -6.87000 -0.61000 -0.55000 -5.99000 -0.80000 4.43000 -8.63000 0.26000 3.33000 2.62000 0.00000 0.00000 0.00000 0.06000 0.89000 0.00000 -0.28000 0.00000 -0.70000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-23_26.PDB 2.14947 -7.37000 -0.58000 -0.51000 -6.48000 -0.82000 4.64000 -9.44000 0.26000 3.73000 2.71000 0.00000 0.00000 0.00000 0.06000 0.89000 0.00000 -0.23000 0.00000 -0.70000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-23_27.PDB 2.54544 -7.90000 -0.84000 -0.82000 -6.61000 -0.90000 4.95000 -9.66000 0.26000 3.87000 2.97000 0.00000 0.00000 0.00000 0.09000 0.74000 0.00000 -0.31000 0.00000 -0.90000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-23_28.PDB 2.22124 -6.22000 -0.65000 -0.59000 -5.71000 -1.24000 4.95000 -7.80000 0.29000 3.45000 2.37000 0.00000 0.00000 0.00000 0.08000 0.60000 0.00000 -0.18000 0.00000 -1.19000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-23_29.PDB 2.04411 -7.38000 -0.69000 -0.66000 -6.54000 -0.86000 4.92000 -9.52000 0.24000 3.77000 2.96000 0.00000 0.00000 0.00000 0.07000 0.81000 0.00000 -0.22000 0.00000 -0.85000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-23_30.PDB 2.95486 -4.67000 -0.46000 -1.65000 -5.22000 -1.21000 5.37000 -6.97000 1.64000 3.18000 2.02000 0.00000 0.00000 0.00000 0.09000 0.64000 0.00000 -0.29000 0.00000 -1.17000 0.00000 2.38000 64.00000