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_1OOT-20_1.PDB 1.94996 -7.64000 -0.55000 -0.54000 -7.47000 -0.59000 5.82000 -10.41000 1.14000 3.46000 2.52000 0.00000 0.00000 0.00000 0.06000 0.20000 0.00000 -0.38000 0.00000 -0.70000 0.00000 2.38000 66.00000 LSB3_1OOT-20_2.PDB 1.45653 -7.64000 -0.57000 -0.57000 -7.50000 -0.43000 5.82000 -10.39000 1.20000 3.03000 2.46000 0.00000 0.00000 0.00000 0.06000 0.28000 0.00000 -0.26000 0.00000 -0.49000 0.00000 2.38000 66.00000 LSB3_1OOT-20_3.PDB 1.37088 -8.51000 -0.51000 -2.29000 -8.07000 -0.64000 6.99000 -10.78000 1.12000 4.10000 2.73000 0.00000 0.00000 0.00000 0.03000 0.26000 0.00000 -0.42000 0.00000 -0.76000 0.00000 2.38000 66.00000 LSB3_1OOT-20_4.PDB 1.84803 -7.84000 -0.53000 -2.36000 -7.57000 -0.71000 6.88000 -10.06000 1.06000 3.93000 2.76000 0.00000 0.00000 0.00000 0.06000 0.24000 0.00000 -0.43000 0.00000 -0.87000 0.00000 2.38000 66.00000 LSB3_1OOT-20_5.PDB 1.65813 -8.61000 -1.31000 -2.54000 -8.06000 -0.72000 7.04000 -10.51000 1.74000 4.49000 2.80000 0.00000 0.00000 0.00000 0.04000 0.22000 0.00000 -0.67000 0.00000 -0.89000 0.00000 2.38000 66.00000 LSB3_1OOT-20_6.PDB 1.59495 -7.97000 -1.43000 -1.43000 -7.20000 -0.85000 5.98000 -9.77000 1.12000 4.40000 2.58000 0.00000 0.00000 0.00000 0.04000 0.18000 0.00000 -0.43000 0.00000 -0.97000 0.00000 2.38000 66.00000 LSB3_1OOT-20_7.PDB 1.48195 -8.82000 -0.53000 -2.32000 -8.01000 -0.33000 6.68000 -10.71000 1.46000 3.65000 2.38000 0.00000 0.00000 0.00000 0.04000 0.24000 0.00000 -0.70000 0.00000 -0.42000 0.00000 2.38000 66.00000 LSB3_1OOT-20_8.PDB 1.66631 -8.47000 -0.55000 -1.81000 -8.10000 -0.26000 6.67000 -10.85000 1.57000 3.22000 2.34000 0.00000 0.00000 0.00000 0.09000 0.24000 0.00000 -0.42000 0.00000 -0.37000 0.00000 2.38000 66.00000 LSB3_1OOT-20_9.PDB 1.56970 -8.71000 -0.55000 -1.69000 -7.95000 -0.30000 6.59000 -10.62000 1.19000 3.04000 2.28000 0.00000 0.00000 0.00000 0.08000 0.23000 0.00000 -0.38000 0.00000 -0.40000 0.00000 2.38000 66.00000 LSB3_1OOT-20_10.PDB 1.68937 -6.81000 -0.52000 -1.96000 -7.61000 -0.16000 6.14000 -10.59000 1.14000 4.33000 2.60000 0.00000 0.00000 0.00000 0.04000 0.26000 0.00000 -0.33000 0.00000 0.11000 0.00000 2.38000 66.00000 LSB3_1OOT-20_11.PDB 1.44354 -8.09000 -0.54000 -0.53000 -7.30000 -0.73000 5.55000 -10.29000 1.06000 3.35000 2.51000 0.00000 0.00000 0.00000 0.04000 0.20000 0.00000 -0.31000 0.00000 -0.90000 0.00000 2.38000 66.00000 LSB3_1OOT-20_12.PDB 1.36418 -7.35000 -0.56000 -3.57000 -7.78000 -0.48000 7.63000 -10.01000 1.24000 4.14000 3.12000 0.00000 0.00000 0.00000 0.05000 0.10000 0.00000 -0.52000 0.00000 -0.59000 0.00000 2.38000 66.00000 LSB3_1OOT-20_13.PDB 1.47067 -8.75000 -0.52000 -3.54000 -8.47000 -0.04000 7.18000 -11.23000 1.72000 3.95000 2.62000 0.00000 0.00000 0.00000 0.04000 0.30000 0.00000 -0.58000 0.00000 0.12000 0.00000 2.38000 66.00000 LSB3_1OOT-20_14.PDB 1.37559 -8.37000 -0.53000 -3.86000 -7.95000 -0.61000 7.73000 -10.14000 1.70000 4.14000 2.53000 0.00000 0.00000 0.00000 0.05000 0.10000 0.00000 -0.74000 0.00000 -0.69000 0.00000 2.38000 66.00000 LSB3_1OOT-20_15.PDB 1.68722 -7.02000 -0.53000 -1.88000 -6.92000 -0.66000 6.56000 -9.06000 1.16000 3.18000 2.34000 0.00000 0.00000 0.00000 0.05000 0.12000 0.00000 -0.55000 0.00000 -0.71000 0.00000 2.38000 66.00000 LSB3_1OOT-20_16.PDB 1.59764 -7.43000 -0.51000 -1.95000 -7.71000 -0.25000 6.03000 -10.83000 1.19000 4.48000 2.47000 0.00000 0.00000 0.00000 0.03000 0.23000 0.00000 -0.39000 0.00000 0.02000 0.00000 2.38000 66.00000 LSB3_1OOT-20_17.PDB 1.63529 -8.37000 -0.55000 -0.54000 -7.32000 -0.92000 5.70000 -10.22000 1.04000 3.40000 2.42000 0.00000 0.00000 0.00000 0.03000 0.20000 0.00000 -0.33000 0.00000 -1.09000 0.00000 2.38000 66.00000 LSB3_1OOT-20_18.PDB 1.17468 -7.96000 -0.53000 -0.52000 -7.22000 -0.74000 5.51000 -10.13000 1.02000 3.34000 2.49000 0.00000 0.00000 0.00000 0.03000 0.20000 0.00000 -0.29000 0.00000 -0.92000 0.00000 2.38000 66.00000 LSB3_1OOT-20_19.PDB 1.51165 -7.96000 -0.55000 -1.77000 -7.64000 -0.43000 6.46000 -10.23000 1.66000 3.26000 2.28000 0.00000 0.00000 0.00000 0.05000 0.17000 0.00000 -0.51000 0.00000 -0.54000 0.00000 2.38000 66.00000 LSB3_1OOT-20_20.PDB 1.81720 -7.98000 -1.24000 -3.33000 -8.00000 -0.42000 7.33000 -10.47000 1.03000 4.96000 3.13000 0.00000 0.00000 0.00000 0.07000 0.22000 0.00000 -0.57000 0.00000 -0.48000 0.00000 2.38000 66.00000 LSB3_1OOT-20_21.PDB 1.44350 -8.00000 -0.52000 -1.84000 -7.51000 -0.51000 6.38000 -10.01000 1.61000 3.16000 2.19000 0.00000 0.00000 0.00000 0.03000 0.23000 0.00000 -0.38000 0.00000 -0.61000 0.00000 2.38000 66.00000 LSB3_1OOT-20_22.PDB 1.58992 -6.18000 -0.52000 -1.96000 -7.09000 -0.30000 5.97000 -9.80000 1.11000 4.33000 2.51000 0.00000 0.00000 0.00000 0.03000 0.27000 0.00000 -0.41000 0.00000 -0.05000 0.00000 2.38000 66.00000 LSB3_1OOT-20_23.PDB 1.66646 -8.47000 -1.42000 -4.27000 -8.35000 -0.21000 7.61000 -10.65000 1.61000 5.00000 2.92000 0.00000 0.00000 0.00000 0.06000 0.30000 0.00000 -0.74000 0.00000 -0.04000 0.00000 2.38000 66.00000 LSB3_1OOT-20_24.PDB 1.82267 -7.24000 -1.32000 -4.21000 -7.74000 -0.74000 8.08000 -9.51000 0.97000 5.26000 3.49000 0.00000 0.00000 0.00000 0.05000 0.14000 0.00000 -0.68000 0.00000 -0.89000 0.00000 2.38000 66.00000 LSB3_1OOT-20_25.PDB 1.73634 -7.70000 -1.36000 -1.36000 -7.41000 -0.90000 6.35000 -9.97000 1.07000 4.40000 2.92000 0.00000 0.00000 0.00000 0.04000 0.15000 0.00000 -0.40000 0.00000 -1.08000 0.00000 2.38000 66.00000 LSB3_1OOT-20_26.PDB 1.74192 -8.21000 -1.46000 -5.91000 -8.16000 -1.11000 9.17000 -9.75000 1.69000 6.32000 2.94000 0.00000 0.00000 0.00000 0.04000 0.21000 0.00000 -0.78000 0.00000 -1.19000 0.00000 2.38000 66.00000 LSB3_1OOT-20_27.PDB 1.81706 -6.91000 -1.35000 -2.88000 -7.45000 -0.37000 6.48000 -9.94000 1.03000 5.29000 2.94000 0.00000 0.00000 0.00000 0.04000 0.28000 0.00000 -0.58000 0.00000 -0.11000 0.00000 2.38000 66.00000 LSB3_1OOT-20_28.PDB 1.73867 -6.62000 -1.36000 -2.70000 -6.75000 -0.76000 6.64000 -8.65000 1.03000 4.33000 2.97000 0.00000 0.00000 0.00000 0.05000 0.06000 0.00000 -0.51000 0.00000 -0.90000 0.00000 2.38000 66.00000 LSB3_1OOT-20_29.PDB 2.01279 -7.50000 -1.35000 -1.34000 -7.07000 -0.62000 6.06000 -9.53000 1.08000 3.83000 2.60000 0.00000 0.00000 0.00000 0.06000 0.25000 0.00000 -0.47000 0.00000 -0.75000 0.00000 2.38000 66.00000 LSB3_1OOT-20_30.PDB 1.89336 -7.10000 -1.42000 -1.39000 -7.01000 -0.51000 6.07000 -9.35000 1.05000 3.90000 2.43000 0.00000 0.00000 0.00000 0.07000 0.26000 0.00000 -0.29000 0.00000 -0.66000 0.00000 2.38000 66.00000