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-11_1.PDB 2.73073 -3.44000 -1.25000 -1.37000 -7.08000 -0.47000 6.53000 -9.31000 3.97000 4.12000 2.01000 0.00000 0.00000 0.00000 0.00000 0.50000 0.00000 -0.01000 0.00000 -0.59000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-11_2.PDB 2.85139 -5.87000 -1.37000 -1.42000 -7.01000 -0.11000 6.05000 -9.47000 1.98000 3.46000 2.36000 0.00000 0.00000 0.00000 0.06000 0.59000 0.00000 -0.19000 0.00000 -0.20000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-11_3.PDB 2.78885 -5.36000 -1.28000 -1.31000 -6.63000 -0.51000 6.00000 -8.71000 2.18000 3.52000 2.11000 0.00000 0.00000 0.00000 0.04000 0.46000 0.00000 -0.10000 0.00000 -0.66000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-11_4.PDB 1.62843 -4.78000 -1.38000 -1.55000 -7.53000 -0.81000 6.92000 -9.70000 3.40000 4.60000 2.29000 0.00000 0.00000 0.00000 0.01000 0.73000 0.00000 -0.06000 0.00000 -0.96000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-11_5.PDB 1.70979 -5.82000 -1.32000 -1.37000 -7.37000 -0.51000 6.75000 -9.49000 2.00000 3.98000 2.30000 0.00000 0.00000 0.00000 0.04000 0.53000 0.00000 -0.21000 0.00000 -0.62000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-11_6.PDB 1.78420 -5.06000 -1.35000 -1.52000 -6.79000 -0.22000 5.97000 -9.07000 2.40000 3.69000 2.31000 0.00000 0.00000 0.00000 0.03000 0.49000 0.00000 -0.17000 0.00000 -0.34000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-11_7.PDB 1.85116 -5.73000 -1.37000 -1.43000 -7.48000 -0.40000 6.99000 -9.89000 1.83000 4.00000 2.69000 0.00000 0.00000 0.00000 0.09000 0.74000 0.00000 -0.23000 0.00000 -0.53000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-11_8.PDB 2.77852 -4.81000 -1.28000 -1.37000 -7.17000 0.29000 5.92000 -9.67000 2.32000 3.74000 2.36000 0.00000 0.00000 0.00000 0.02000 0.63000 0.00000 -0.18000 0.00000 0.24000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-11_9.PDB 1.60678 -5.59000 -1.37000 -1.50000 -7.63000 -0.51000 7.00000 -9.71000 2.10000 4.25000 2.49000 0.00000 0.00000 0.00000 0.03000 0.55000 0.00000 -0.09000 0.00000 -0.67000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-11_10.PDB 2.42472 -4.99000 -1.26000 -1.26000 -7.12000 -0.25000 6.27000 -9.37000 2.13000 4.04000 2.40000 0.00000 0.00000 0.00000 0.01000 0.58000 0.00000 -0.27000 0.00000 -0.30000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-11_11.PDB 2.80498 -5.55000 -1.43000 -1.49000 -6.96000 -1.01000 6.84000 -8.82000 1.91000 4.56000 2.02000 0.00000 0.00000 0.00000 0.01000 0.31000 0.00000 -0.02000 0.00000 -1.15000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-11_12.PDB 2.52572 -5.83000 -1.41000 -1.46000 -7.28000 -0.72000 6.57000 -9.36000 2.13000 4.30000 2.36000 0.00000 0.00000 0.00000 0.01000 0.56000 0.00000 -0.08000 0.00000 -0.89000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-11_13.PDB 3.85043 -5.23000 -1.42000 -1.51000 -7.48000 0.19000 6.18000 -10.19000 2.13000 4.16000 2.67000 0.00000 0.00000 0.00000 0.04000 0.63000 0.00000 -0.12000 0.00000 0.12000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-11_14.PDB 1.94890 -5.25000 -1.37000 -1.57000 -7.45000 -0.23000 6.75000 -9.59000 2.16000 3.96000 2.52000 0.00000 0.00000 0.00000 0.01000 0.54000 0.00000 -0.09000 0.00000 -0.35000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-11_15.PDB 3.27910 -5.31000 -1.36000 -1.44000 -7.05000 0.29000 5.98000 -9.79000 1.84000 3.57000 2.55000 0.00000 0.00000 0.00000 0.02000 0.53000 0.00000 -0.19000 0.00000 0.26000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-11_16.PDB 1.61192 -4.20000 -1.27000 -1.23000 -6.59000 -0.53000 6.01000 -8.66000 3.26000 3.63000 2.00000 0.00000 0.00000 0.00000 0.03000 0.44000 0.00000 -0.22000 0.00000 -0.62000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-11_17.PDB 1.65602 -5.52000 -1.29000 -1.31000 -7.49000 -1.15000 7.25000 -9.33000 2.13000 4.53000 2.52000 0.00000 0.00000 0.00000 0.04000 0.56000 0.00000 -0.17000 0.00000 -1.26000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-11_18.PDB 2.62423 -5.07000 -1.38000 -1.45000 -7.32000 0.13000 5.83000 -9.87000 2.60000 3.92000 2.58000 0.00000 0.00000 0.00000 0.05000 0.75000 0.00000 -0.23000 0.00000 0.06000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-11_19.PDB 2.43460 -5.28000 -1.40000 -1.38000 -7.22000 -0.42000 6.41000 -9.40000 2.25000 4.04000 2.39000 0.00000 0.00000 0.00000 0.01000 0.72000 0.00000 -0.08000 0.00000 -0.49000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-11_20.PDB 2.53260 -4.80000 -1.23000 -1.28000 -6.45000 -1.12000 6.39000 -7.88000 2.08000 4.12000 1.95000 0.00000 0.00000 0.00000 0.02000 0.23000 0.00000 -0.15000 0.00000 -1.25000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-11_21.PDB 1.41163 -4.20000 -1.30000 -1.24000 -7.53000 0.26000 6.23000 -10.05000 3.31000 3.76000 2.36000 0.00000 0.00000 0.00000 0.02000 0.66000 0.00000 -0.28000 0.00000 0.24000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-11_22.PDB 1.92289 -5.27000 -1.31000 -1.45000 -7.46000 -1.17000 7.28000 -9.40000 2.45000 4.83000 2.47000 0.00000 0.00000 0.00000 0.04000 0.52000 0.00000 -0.18000 0.00000 -1.36000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-11_23.PDB 3.71353 -4.89000 -1.30000 -1.36000 -6.95000 0.17000 6.11000 -9.41000 2.08000 3.40000 2.20000 0.00000 0.00000 0.00000 0.23000 0.68000 0.00000 -0.18000 0.00000 0.12000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-11_24.PDB 2.50196 -3.74000 -1.31000 -1.31000 -5.78000 -0.64000 6.08000 -7.30000 2.10000 3.23000 2.02000 0.00000 0.00000 0.00000 0.02000 0.53000 0.00000 -0.12000 0.00000 -0.73000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-11_25.PDB 1.52742 -4.96000 -1.27000 -1.97000 -6.94000 -1.35000 6.95000 -8.41000 2.22000 5.27000 2.16000 0.00000 0.00000 0.00000 0.01000 0.45000 0.00000 -0.13000 0.00000 -1.50000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-11_26.PDB 1.53082 -4.01000 -1.27000 -1.34000 -7.15000 -0.60000 6.44000 -9.46000 3.83000 4.11000 2.20000 0.00000 0.00000 0.00000 0.02000 0.62000 0.00000 -0.05000 0.00000 -0.73000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-11_27.PDB 2.56601 -4.91000 -1.42000 -1.45000 -6.44000 -0.76000 6.17000 -8.11000 2.29000 3.85000 1.97000 0.00000 0.00000 0.00000 0.01000 0.33000 0.00000 -0.13000 0.00000 -0.90000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-11_28.PDB 2.14004 -4.88000 -1.41000 -1.50000 -7.54000 0.10000 6.29000 -10.43000 2.97000 3.85000 2.86000 0.00000 0.00000 0.00000 0.06000 0.70000 0.00000 -0.14000 0.00000 0.00000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-11_29.PDB 1.62520 -5.32000 -1.28000 -1.98000 -6.84000 -0.73000 6.38000 -8.84000 2.19000 4.59000 2.24000 0.00000 0.00000 0.00000 0.01000 0.48000 0.00000 -0.17000 0.00000 -0.88000 0.00000 2.38000 64.00000 LSB3_CKB-OOT-11_30.PDB 1.60573 -4.61000 -1.34000 -1.43000 -7.93000 0.22000 6.49000 -10.44000 2.96000 3.99000 2.80000 0.00000 0.00000 0.00000 0.02000 0.82000 0.00000 -0.14000 0.00000 0.17000 0.00000 2.38000 64.00000