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 YSC84_2A08-16_1.PDB 5.50851 -2.14000 -0.31000 -0.24000 -9.70000 -0.18000 7.68000 -13.80000 6.57000 4.58000 3.40000 0.00000 0.00000 0.00000 0.62000 0.56000 0.00000 -0.63000 0.00000 -0.13000 0.00000 2.38000 66.00000 YSC84_2A08-16_2.PDB 4.80866 -2.16000 -0.24000 -0.19000 -9.29000 -0.16000 7.72000 -13.10000 5.97000 4.26000 3.38000 0.00000 0.00000 0.00000 0.34000 0.52000 0.00000 -0.70000 0.00000 -0.14000 0.00000 2.38000 66.00000 YSC84_2A08-16_3.PDB 3.05920 -1.49000 -0.30000 -0.23000 -9.65000 0.09000 7.87000 -13.95000 7.12000 4.16000 3.90000 0.00000 0.00000 0.00000 0.10000 0.51000 0.00000 -0.77000 0.00000 0.16000 0.00000 2.38000 66.00000 YSC84_2A08-16_4.PDB 5.17835 -2.39000 -0.33000 -0.22000 -9.91000 0.09000 7.92000 -14.19000 6.16000 4.48000 4.03000 0.00000 0.00000 0.00000 0.41000 0.62000 0.00000 -0.97000 0.00000 0.16000 0.00000 2.38000 66.00000 YSC84_2A08-16_5.PDB 4.70475 -1.54000 -0.24000 -0.19000 -8.34000 -0.12000 7.09000 -11.66000 4.90000 3.78000 4.00000 0.00000 0.00000 0.00000 0.35000 0.62000 0.00000 -0.95000 0.00000 -0.17000 0.00000 2.38000 66.00000 YSC84_2A08-16_6.PDB 4.91745 -2.15000 -0.29000 -0.19000 -9.77000 -0.12000 7.97000 -13.89000 6.27000 4.47000 3.80000 0.00000 0.00000 0.00000 0.36000 0.50000 0.00000 -0.68000 0.00000 -0.07000 0.00000 2.38000 66.00000 YSC84_2A08-16_7.PDB 4.17459 -1.20000 -0.35000 -0.19000 -9.46000 0.16000 7.89000 -13.42000 5.80000 4.37000 4.06000 0.00000 0.00000 0.00000 0.57000 0.49000 0.00000 -0.84000 0.00000 0.21000 0.00000 2.38000 66.00000 YSC84_2A08-16_8.PDB 4.57071 -2.01000 -0.29000 -0.19000 -9.97000 0.11000 8.07000 -14.22000 6.17000 4.54000 4.12000 0.00000 0.00000 0.00000 0.36000 0.61000 0.00000 -0.89000 0.00000 0.19000 0.00000 2.38000 66.00000 YSC84_2A08-16_9.PDB 5.42451 -1.52000 -0.29000 -0.24000 -9.57000 -0.02000 7.70000 -13.65000 6.43000 4.31000 3.80000 0.00000 0.00000 0.00000 0.78000 0.50000 0.00000 -0.82000 0.00000 0.04000 0.00000 2.38000 66.00000 YSC84_2A08-16_10.PDB 5.05730 -2.06000 -0.27000 -0.71000 -10.23000 -0.05000 8.66000 -14.28000 5.92000 5.06000 4.06000 0.00000 0.00000 0.00000 0.65000 0.70000 0.00000 -0.91000 0.00000 0.04000 0.00000 2.38000 66.00000 YSC84_2A08-16_11.PDB 1.59448 -1.54000 -0.26000 -0.21000 -8.65000 -0.17000 7.06000 -12.45000 6.48000 3.89000 3.88000 0.00000 0.00000 0.00000 0.12000 0.50000 0.00000 -0.99000 0.00000 -0.24000 0.00000 2.38000 66.00000 YSC84_2A08-16_12.PDB 3.14197 -1.85000 -0.26000 -0.19000 -9.72000 0.07000 7.90000 -13.80000 5.97000 4.26000 3.60000 0.00000 0.00000 0.00000 0.84000 0.56000 0.00000 -0.68000 0.00000 0.15000 0.00000 2.38000 66.00000 YSC84_2A08-16_13.PDB 3.06998 -1.33000 -0.23000 -0.19000 -8.45000 -0.19000 7.07000 -11.85000 6.06000 3.74000 3.42000 0.00000 0.00000 0.00000 0.31000 0.47000 0.00000 -0.77000 0.00000 -0.25000 0.00000 2.38000 66.00000 YSC84_2A08-16_14.PDB 4.82908 -3.97000 -1.96000 -1.94000 -9.47000 -1.04000 9.30000 -12.57000 6.08000 5.30000 3.65000 0.00000 0.00000 0.00000 0.39000 0.55000 0.00000 -1.09000 0.00000 -0.60000 0.00000 2.38000 66.00000 YSC84_2A08-16_15.PDB 1.09242 -0.67000 -0.12000 0.00000 -9.76000 0.13000 8.00000 -13.99000 7.34000 4.25000 3.70000 0.00000 0.00000 0.00000 0.11000 0.51000 0.00000 -0.50000 0.00000 0.15000 0.00000 2.38000 66.00000 YSC84_2A08-16_16.PDB 5.06140 -4.14000 -0.08000 0.00000 -10.09000 -0.28000 7.73000 -14.16000 4.59000 4.91000 3.67000 0.00000 0.00000 0.00000 0.74000 0.53000 0.00000 -0.89000 0.00000 -0.29000 0.00000 2.38000 66.00000 YSC84_2A08-16_17.PDB 5.26899 -2.97000 -0.07000 0.00000 -10.19000 0.12000 7.87000 -14.35000 4.91000 4.55000 3.99000 0.00000 0.00000 0.00000 0.81000 0.65000 0.00000 -0.76000 0.00000 0.16000 0.00000 2.38000 66.00000 YSC84_2A08-16_18.PDB 4.80230 -0.93000 -0.05000 0.00000 -8.93000 -0.08000 7.53000 -12.50000 6.05000 4.00000 3.90000 0.00000 0.00000 0.00000 0.28000 0.51000 0.00000 -1.04000 0.00000 -0.09000 0.00000 2.38000 66.00000 YSC84_2A08-16_19.PDB 5.55151 -2.49000 -0.91000 -0.84000 -9.52000 -0.55000 8.34000 -12.98000 5.82000 5.09000 3.60000 0.00000 0.00000 0.00000 0.66000 0.54000 0.00000 -0.67000 0.00000 -0.52000 0.00000 2.38000 66.00000 YSC84_2A08-16_20.PDB 4.96472 -2.78000 -0.04000 -0.00000 -8.94000 -0.22000 7.12000 -12.35000 4.45000 4.25000 3.87000 0.00000 0.00000 0.00000 0.28000 0.52000 0.00000 -0.92000 0.00000 -0.28000 0.00000 2.38000 66.00000 YSC84_2A08-16_21.PDB 5.76802 -1.44000 -0.26000 -0.19000 -9.29000 -0.07000 7.98000 -12.79000 5.72000 4.20000 3.78000 0.00000 0.00000 0.00000 0.53000 0.57000 0.00000 -1.00000 0.00000 -0.06000 0.00000 2.38000 66.00000 YSC84_2A08-16_22.PDB 5.36897 -3.53000 -0.26000 -0.19000 -10.40000 0.03000 8.17000 -14.46000 5.18000 4.76000 3.68000 0.00000 0.00000 0.00000 0.70000 0.63000 0.00000 -0.88000 0.00000 0.14000 0.00000 2.38000 66.00000 YSC84_2A08-16_23.PDB 4.70043 -1.91000 -0.11000 -0.48000 -9.98000 0.07000 7.95000 -14.29000 6.07000 4.97000 4.31000 0.00000 0.00000 0.00000 0.36000 0.58000 0.00000 -0.90000 0.00000 0.11000 0.00000 2.38000 66.00000 YSC84_2A08-16_24.PDB 4.65968 -1.73000 -0.25000 -0.19000 -8.73000 -0.08000 7.65000 -12.10000 4.42000 4.22000 4.09000 0.00000 0.00000 0.00000 0.26000 0.50000 0.00000 -0.88000 0.00000 -0.13000 0.00000 2.38000 66.00000 YSC84_2A08-16_25.PDB 5.48897 -2.48000 -1.09000 -1.03000 -9.61000 -0.40000 8.10000 -13.31000 6.04000 5.55000 3.78000 0.00000 0.00000 0.00000 0.64000 0.53000 0.00000 -0.79000 0.00000 -0.37000 0.00000 2.38000 66.00000 YSC84_2A08-16_26.PDB 2.40439 -1.84000 -0.05000 0.00000 -8.30000 -0.07000 6.82000 -11.71000 4.57000 3.89000 3.82000 0.00000 0.00000 0.00000 0.24000 0.40000 0.00000 -0.92000 0.00000 -0.13000 0.00000 2.38000 66.00000 YSC84_2A08-16_27.PDB 5.57225 -2.64000 -1.19000 -1.06000 -9.59000 -0.11000 8.33000 -13.17000 4.96000 5.41000 4.48000 0.00000 0.00000 0.00000 0.40000 0.55000 0.00000 -1.02000 0.00000 -0.06000 0.00000 2.38000 66.00000 YSC84_2A08-16_28.PDB 2.65957 -1.76000 -0.11000 -0.00000 -9.90000 -0.15000 7.93000 -14.11000 6.43000 4.85000 3.73000 0.00000 0.00000 0.00000 0.35000 0.46000 0.00000 -0.62000 0.00000 -0.17000 0.00000 2.38000 66.00000 YSC84_2A08-16_29.PDB 2.22994 -1.46000 -0.05000 0.00000 -9.31000 0.16000 7.34000 -13.45000 6.02000 4.25000 3.96000 0.00000 0.00000 0.00000 0.31000 0.50000 0.00000 -0.90000 0.00000 0.21000 0.00000 2.38000 66.00000 YSC84_2A08-16_30.PDB 4.53402 -3.70000 -0.07000 0.00000 -9.88000 -0.16000 7.65000 -13.90000 4.81000 4.70000 3.67000 0.00000 0.00000 0.00000 0.38000 0.44000 0.00000 -0.71000 0.00000 -0.20000 0.00000 2.38000 66.00000