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-21_1.PDB 5.01318 -6.12000 -0.45000 -0.50000 -4.46000 -1.05000 3.70000 -6.62000 1.13000 2.52000 0.40000 0.00000 0.00000 0.00000 0.24000 0.27000 0.00000 -0.43000 0.00000 -0.60000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-21_2.PDB 4.74247 -5.36000 -0.45000 -0.52000 -4.56000 -0.99000 4.19000 -6.21000 1.11000 2.61000 0.46000 0.00000 0.00000 0.00000 0.15000 0.35000 0.00000 -0.41000 0.00000 -0.73000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-21_3.PDB 5.82299 -6.14000 -0.45000 -0.53000 -4.49000 -1.03000 3.71000 -6.69000 1.25000 2.52000 0.39000 0.00000 0.00000 0.00000 0.21000 0.30000 0.00000 -0.41000 0.00000 -0.62000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-21_4.PDB 4.51921 -5.14000 -0.47000 -0.54000 -4.55000 -1.17000 4.54000 -5.98000 1.20000 2.69000 0.34000 0.00000 0.00000 0.00000 0.19000 0.35000 0.00000 -0.59000 0.00000 -0.82000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-21_5.PDB 5.71094 -6.02000 -0.45000 -0.51000 -4.48000 -1.02000 3.83000 -6.63000 1.15000 2.53000 0.41000 0.00000 0.00000 0.00000 0.21000 0.25000 0.00000 -0.44000 0.00000 -0.61000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-21_6.PDB 4.54998 -4.61000 -0.45000 -0.49000 -4.76000 -1.63000 5.08000 -6.00000 1.24000 3.33000 0.47000 0.00000 0.00000 0.00000 0.18000 0.35000 0.00000 -0.41000 0.00000 -1.17000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-21_7.PDB 5.07052 -6.28000 -0.46000 -0.50000 -4.49000 -1.20000 3.83000 -6.60000 1.15000 2.66000 0.36000 0.00000 0.00000 0.00000 0.22000 0.26000 0.00000 -0.43000 0.00000 -0.83000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-21_8.PDB 4.72385 -5.94000 -1.22000 -1.29000 -5.07000 -1.48000 5.28000 -6.38000 1.14000 4.10000 0.58000 0.00000 0.00000 0.00000 0.25000 0.42000 0.00000 -0.67000 0.00000 -1.18000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-21_9.PDB 5.03564 -6.27000 -0.43000 -0.45000 -4.68000 -1.07000 3.80000 -6.93000 1.35000 2.59000 0.34000 0.00000 0.00000 0.00000 0.26000 0.37000 0.00000 -0.33000 0.00000 -0.70000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-21_10.PDB 5.52568 -5.71000 -1.25000 -1.30000 -4.94000 -1.44000 5.24000 -6.22000 1.28000 3.94000 0.48000 0.00000 0.00000 0.00000 0.19000 0.38000 0.00000 -0.58000 0.00000 -1.13000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-21_11.PDB 5.16949 -6.28000 -0.46000 -0.51000 -4.55000 -1.12000 3.73000 -6.74000 1.22000 2.60000 0.33000 0.00000 0.00000 0.00000 0.28000 0.30000 0.00000 -0.33000 0.00000 -0.73000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-21_12.PDB 5.87202 -5.50000 -0.46000 -0.55000 -4.55000 -1.43000 4.49000 -6.00000 1.35000 2.76000 0.32000 0.00000 0.00000 0.00000 0.22000 0.30000 0.00000 -0.70000 0.00000 -0.97000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-21_13.PDB 4.72807 -6.51000 -0.45000 -0.51000 -4.52000 -1.43000 3.96000 -6.44000 1.06000 3.10000 0.38000 0.00000 0.00000 0.00000 0.23000 0.29000 0.00000 -0.59000 0.00000 -1.27000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-21_14.PDB 6.44459 -6.27000 -0.45000 -0.50000 -4.56000 -1.10000 3.75000 -6.75000 1.17000 2.61000 0.44000 0.00000 0.00000 0.00000 0.28000 0.29000 0.00000 -0.49000 0.00000 -0.69000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-21_15.PDB 4.98613 -5.74000 -0.46000 -0.53000 -4.84000 -1.40000 4.27000 -6.76000 1.46000 3.46000 0.36000 0.00000 0.00000 0.00000 0.29000 0.31000 0.00000 -0.38000 0.00000 -1.20000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-21_16.PDB 4.92325 -5.47000 -0.46000 -0.54000 -4.60000 -1.55000 4.65000 -5.87000 1.02000 3.27000 0.31000 0.00000 0.00000 0.00000 0.19000 0.31000 0.00000 -0.41000 0.00000 -1.47000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-21_17.PDB 6.38426 -6.13000 -0.46000 -0.51000 -4.55000 -1.11000 3.80000 -6.73000 1.28000 2.59000 0.43000 0.00000 0.00000 0.00000 0.26000 0.31000 0.00000 -0.45000 0.00000 -0.69000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-21_18.PDB 6.40961 -5.37000 -0.44000 -0.52000 -4.30000 -1.24000 4.15000 -5.81000 1.14000 2.50000 0.34000 0.00000 0.00000 0.00000 0.13000 0.34000 0.00000 -0.42000 0.00000 -0.91000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-21_19.PDB 5.37150 -5.34000 -0.45000 -0.53000 -4.40000 -1.57000 4.52000 -5.59000 1.16000 3.07000 0.36000 0.00000 0.00000 0.00000 0.16000 0.31000 0.00000 -0.60000 0.00000 -1.46000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-21_20.PDB 4.47427 -5.89000 -0.47000 -0.50000 -4.34000 -1.06000 3.80000 -6.33000 1.08000 2.45000 0.42000 0.00000 0.00000 0.00000 0.16000 0.25000 0.00000 -0.48000 0.00000 -0.62000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-21_21.PDB 6.16887 -5.32000 -0.44000 -0.51000 -4.54000 -1.17000 4.38000 -6.08000 1.23000 2.55000 0.36000 0.00000 0.00000 0.00000 0.18000 0.36000 0.00000 -0.43000 0.00000 -0.83000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-21_22.PDB 4.32442 -5.98000 -0.57000 -0.55000 -4.86000 -1.08000 4.13000 -7.09000 1.70000 2.71000 0.54000 0.00000 0.00000 0.00000 0.19000 0.39000 0.00000 -0.47000 0.00000 -0.63000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-21_23.PDB 5.57812 -6.48000 -0.45000 -0.52000 -4.46000 -1.45000 3.87000 -6.37000 1.16000 3.03000 0.39000 0.00000 0.00000 0.00000 0.22000 0.29000 0.00000 -0.61000 0.00000 -1.29000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-21_24.PDB 6.59092 -6.03000 -0.44000 -0.49000 -4.59000 -1.10000 3.87000 -6.75000 1.17000 2.62000 0.52000 0.00000 0.00000 0.00000 0.28000 0.30000 0.00000 -0.41000 0.00000 -0.70000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-21_25.PDB 7.10493 -5.99000 -0.45000 -0.52000 -4.61000 -1.08000 3.90000 -6.81000 1.18000 2.65000 0.48000 0.00000 0.00000 0.00000 0.31000 0.27000 0.00000 -0.33000 0.00000 -0.69000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-21_26.PDB 4.86831 -5.84000 -0.47000 -0.53000 -4.51000 -1.20000 4.13000 -6.68000 1.37000 2.93000 0.39000 0.00000 0.00000 0.00000 0.18000 0.28000 0.00000 -0.42000 0.00000 -1.03000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-21_27.PDB 5.19267 -5.57000 -0.45000 -0.50000 -4.45000 -1.43000 4.40000 -5.71000 1.00000 3.00000 0.31000 0.00000 0.00000 0.00000 0.18000 0.33000 0.00000 -0.57000 0.00000 -1.34000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-21_28.PDB 5.47951 -5.50000 -0.45000 -0.52000 -4.57000 -1.29000 4.47000 -6.11000 1.07000 2.73000 0.45000 0.00000 0.00000 0.00000 0.18000 0.35000 0.00000 -0.46000 0.00000 -1.00000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-21_29.PDB 5.44110 -6.15000 -0.47000 -0.50000 -4.50000 -1.10000 3.98000 -6.67000 1.16000 2.76000 0.40000 0.00000 0.00000 0.00000 0.16000 0.31000 0.00000 -0.42000 0.00000 -0.94000 0.00000 2.38000 67.00000 LSB3_CKB-OOT-21_30.PDB 5.72334 -5.33000 -1.04000 -1.12000 -4.91000 -1.15000 5.31000 -6.54000 1.16000 3.82000 0.57000 0.00000 0.00000 0.00000 0.12000 0.36000 0.00000 -0.41000 0.00000 -1.15000 0.00000 2.38000 67.00000