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 BOI1_1YCS-11_1.PDB 3.86461 -3.93000 -1.47000 -1.41000 -6.30000 -0.06000 5.99000 -8.67000 3.56000 2.97000 2.14000 0.00000 0.00000 0.00000 0.06000 0.88000 0.00000 -0.63000 0.00000 -0.12000 0.00000 2.38000 67.00000 BOI1_1YCS-11_2.PDB 4.26496 -4.45000 -1.49000 -1.42000 -6.36000 0.06000 5.60000 -8.77000 2.93000 3.05000 2.17000 0.00000 0.00000 0.00000 0.14000 0.97000 0.00000 -0.47000 0.00000 0.11000 0.00000 2.38000 67.00000 BOI1_1YCS-11_3.PDB 3.97513 -5.71000 -0.76000 -0.54000 -7.34000 0.00000 5.72000 -10.05000 3.39000 2.27000 2.01000 0.00000 0.00000 0.00000 0.11000 1.00000 0.00000 -0.57000 0.00000 0.05000 0.00000 2.38000 67.00000 BOI1_1YCS-11_4.PDB 4.19315 -5.24000 -0.61000 -2.30000 -6.64000 0.14000 5.61000 -9.43000 2.98000 3.39000 1.89000 0.00000 0.00000 0.00000 0.14000 0.76000 0.00000 -0.55000 0.00000 0.14000 0.00000 2.38000 67.00000 BOI1_1YCS-11_5.PDB 4.10167 -6.19000 -1.49000 -2.98000 -6.32000 0.05000 5.51000 -8.65000 1.92000 3.94000 2.19000 0.00000 0.00000 0.00000 0.11000 0.75000 0.00000 -0.49000 0.00000 0.02000 0.00000 2.38000 67.00000 BOI1_1YCS-11_6.PDB 4.16165 -4.11000 -1.49000 -1.42000 -6.81000 -0.09000 6.24000 -9.15000 3.10000 3.48000 2.62000 0.00000 0.00000 0.00000 0.11000 0.91000 0.00000 -0.69000 0.00000 -0.01000 0.00000 2.38000 67.00000 BOI1_1YCS-11_7.PDB 3.97052 -4.13000 -1.49000 -1.43000 -7.56000 -1.04000 7.44000 -10.15000 4.40000 4.02000 2.21000 0.00000 0.00000 0.00000 0.10000 1.08000 0.00000 -0.40000 0.00000 -0.23000 0.00000 2.38000 67.00000 BOI1_1YCS-11_8.PDB 5.86251 -5.77000 -1.48000 -1.49000 -6.56000 -0.38000 5.81000 -9.16000 1.95000 3.43000 2.77000 0.00000 0.00000 0.00000 0.09000 0.86000 0.00000 -0.45000 0.00000 -0.28000 0.00000 2.38000 67.00000 BOI1_1YCS-11_9.PDB 3.81766 -4.73000 -1.49000 -3.27000 -7.04000 -0.25000 7.34000 -9.06000 3.07000 4.34000 2.52000 0.00000 0.00000 0.00000 0.10000 0.93000 0.00000 -0.67000 0.00000 -0.34000 0.00000 2.38000 67.00000 BOI1_1YCS-11_10.PDB 4.32276 -3.86000 -1.49000 -1.42000 -6.03000 0.09000 5.18000 -8.50000 3.13000 2.79000 2.52000 0.00000 0.00000 0.00000 0.11000 0.75000 0.00000 -0.40000 0.00000 0.16000 0.00000 2.38000 67.00000 BOI1_1YCS-11_11.PDB 3.80958 -5.09000 -1.50000 -1.42000 -6.84000 0.02000 5.71000 -9.21000 3.32000 2.68000 2.61000 0.00000 0.00000 0.00000 0.15000 0.79000 0.00000 -0.57000 0.00000 -0.03000 0.00000 2.38000 67.00000 BOI1_1YCS-11_12.PDB 3.95363 -4.89000 -0.60000 -2.13000 -5.90000 0.15000 4.73000 -8.52000 2.92000 2.76000 1.75000 0.00000 0.00000 0.00000 0.15000 0.64000 0.00000 -0.33000 0.00000 0.14000 0.00000 2.38000 67.00000 BOI1_1YCS-11_13.PDB 3.78208 -4.49000 -1.48000 -1.42000 -7.17000 0.06000 6.05000 -9.66000 2.92000 3.66000 2.67000 0.00000 0.00000 0.00000 0.17000 0.88000 0.00000 -0.44000 0.00000 0.14000 0.00000 2.38000 67.00000 BOI1_1YCS-11_14.PDB 3.98514 -6.66000 -0.77000 -0.54000 -8.30000 -1.00000 7.18000 -11.11000 3.32000 3.00000 1.95000 0.00000 0.00000 0.00000 0.12000 1.05000 0.00000 -0.32000 0.00000 -0.19000 0.00000 2.38000 67.00000 BOI1_1YCS-11_15.PDB 4.14183 -4.52000 -0.66000 -0.55000 -6.30000 -0.21000 5.59000 -8.94000 2.91000 2.32000 1.92000 0.00000 0.00000 0.00000 0.11000 0.87000 0.00000 -0.37000 0.00000 -0.34000 0.00000 2.38000 67.00000 BOI1_1YCS-11_16.PDB 4.42967 -4.61000 -0.67000 -0.54000 -6.77000 -0.31000 5.27000 -9.80000 3.89000 2.60000 2.20000 0.00000 0.00000 0.00000 0.07000 0.91000 0.00000 -0.31000 0.00000 -0.23000 0.00000 2.38000 67.00000 BOI1_1YCS-11_17.PDB 3.92743 -4.29000 -1.48000 -1.43000 -7.60000 -0.96000 7.25000 -10.18000 4.26000 4.06000 2.35000 0.00000 0.00000 0.00000 0.05000 0.84000 0.00000 -0.42000 0.00000 -0.19000 0.00000 2.38000 67.00000 BOI1_1YCS-11_18.PDB 3.56950 -3.62000 -0.61000 -0.54000 -6.33000 0.05000 5.38000 -8.96000 3.15000 2.39000 2.04000 0.00000 0.00000 0.00000 0.07000 0.65000 0.00000 -0.38000 0.00000 0.11000 0.00000 2.38000 67.00000 BOI1_1YCS-11_19.PDB 4.03860 -5.31000 -2.34000 -2.30000 -6.96000 0.04000 7.07000 -9.59000 3.04000 3.79000 2.22000 0.00000 0.00000 0.00000 0.07000 0.72000 0.00000 -0.35000 0.00000 -0.00000 0.00000 2.38000 67.00000 BOI1_1YCS-11_20.PDB 4.08480 -4.97000 -1.49000 -2.95000 -6.43000 -0.13000 5.94000 -8.78000 2.89000 3.88000 2.61000 0.00000 0.00000 0.00000 0.13000 0.79000 0.00000 -0.44000 0.00000 -0.21000 0.00000 2.38000 67.00000 BOI1_1YCS-11_21.PDB 4.46793 -4.19000 -1.46000 -1.40000 -6.69000 -0.23000 5.99000 -9.06000 3.01000 3.42000 2.96000 0.00000 0.00000 0.00000 0.05000 0.89000 0.00000 -0.56000 0.00000 -0.22000 0.00000 2.38000 67.00000 BOI1_1YCS-11_22.PDB 4.48124 -6.14000 -1.51000 -1.44000 -7.95000 -1.13000 7.39000 -10.44000 3.18000 3.90000 2.79000 0.00000 0.00000 0.00000 0.14000 0.95000 0.00000 -0.64000 0.00000 -0.43000 0.00000 2.38000 67.00000 BOI1_1YCS-11_23.PDB 4.31172 -4.43000 -1.48000 -1.42000 -6.37000 -0.06000 5.89000 -8.74000 2.78000 3.16000 2.53000 0.00000 0.00000 0.00000 0.07000 0.64000 0.00000 -0.65000 0.00000 -0.13000 0.00000 2.38000 67.00000 BOI1_1YCS-11_24.PDB 3.88426 -4.42000 -1.49000 -1.42000 -6.82000 -0.06000 6.01000 -9.29000 2.62000 3.54000 2.92000 0.00000 0.00000 0.00000 0.08000 0.73000 0.00000 -0.53000 0.00000 0.01000 0.00000 2.38000 67.00000 BOI1_1YCS-11_25.PDB 4.36498 -5.36000 -0.64000 -0.56000 -7.91000 -1.07000 7.28000 -10.43000 3.26000 2.94000 2.38000 0.00000 0.00000 0.00000 0.15000 0.72000 0.00000 -0.41000 0.00000 -0.35000 0.00000 2.38000 67.00000 BOI1_1YCS-11_26.PDB 3.85221 -4.93000 -0.60000 -0.54000 -7.37000 -0.98000 6.77000 -10.05000 3.21000 3.14000 1.82000 0.00000 0.00000 0.00000 0.08000 0.80000 0.00000 -0.22000 0.00000 -0.18000 0.00000 2.38000 67.00000 BOI1_1YCS-11_27.PDB 4.34706 -4.39000 -1.49000 -2.95000 -6.58000 0.09000 5.92000 -9.26000 4.05000 3.89000 2.36000 0.00000 0.00000 0.00000 0.11000 1.07000 0.00000 -0.62000 0.00000 0.08000 0.00000 2.38000 67.00000 BOI1_1YCS-11_28.PDB 4.92157 -3.81000 -1.51000 -1.43000 -6.05000 0.02000 5.25000 -8.58000 3.28000 2.84000 2.67000 0.00000 0.00000 0.00000 0.13000 1.05000 0.00000 -0.50000 0.00000 0.05000 0.00000 2.38000 67.00000 BOI1_1YCS-11_29.PDB 3.90631 -5.09000 -0.62000 -2.28000 -6.02000 0.02000 4.93000 -8.67000 2.87000 2.93000 2.13000 0.00000 0.00000 0.00000 0.08000 0.70000 0.00000 -0.44000 0.00000 -0.02000 0.00000 2.38000 67.00000 BOI1_1YCS-11_30.PDB 4.32827 -4.34000 -0.60000 -0.54000 -6.44000 -0.17000 5.09000 -9.10000 2.79000 2.49000 2.44000 0.00000 0.00000 0.00000 0.11000 0.82000 0.00000 -0.25000 0.00000 -0.14000 0.00000 2.38000 67.00000