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_2A08-21_1.PDB 3.35120 -7.70000 -1.46000 -2.14000 -5.47000 -1.36000 4.66000 -6.96000 1.68000 3.61000 0.60000 0.00000 0.00000 0.00000 0.27000 0.36000 0.00000 -0.31000 0.00000 -0.82000 0.00000 2.38000 67.00000 YSC84_2A08-21_2.PDB 3.52452 -7.16000 -0.69000 -0.70000 -4.44000 -0.49000 2.84000 -6.15000 0.53000 2.57000 0.28000 0.00000 0.00000 0.00000 0.13000 0.54000 0.00000 -0.62000 0.00000 -0.42000 0.00000 2.38000 67.00000 YSC84_2A08-21_3.PDB 3.77343 -7.17000 -0.62000 -0.68000 -4.69000 -0.67000 3.25000 -6.23000 0.49000 2.57000 0.40000 0.00000 0.00000 0.00000 0.22000 0.36000 0.00000 -0.59000 0.00000 -0.61000 0.00000 2.38000 67.00000 YSC84_2A08-21_4.PDB 3.22136 -8.31000 -1.42000 -1.52000 -5.04000 -1.01000 3.81000 -6.55000 0.46000 3.45000 0.62000 0.00000 0.00000 0.00000 0.19000 0.28000 0.00000 -0.59000 0.00000 -0.73000 0.00000 2.38000 67.00000 YSC84_2A08-21_5.PDB 3.28474 -9.98000 -2.24000 -2.32000 -5.22000 -1.36000 4.42000 -6.58000 0.53000 3.43000 0.52000 0.00000 0.00000 0.00000 0.19000 0.40000 0.00000 -0.55000 0.00000 -0.82000 0.00000 2.38000 67.00000 YSC84_2A08-21_6.PDB 3.88545 -8.81000 -1.84000 -1.96000 -5.39000 -1.39000 4.66000 -6.76000 0.93000 3.50000 0.58000 0.00000 0.00000 0.00000 0.29000 0.32000 0.00000 -0.60000 0.00000 -0.83000 0.00000 2.38000 67.00000 YSC84_2A08-21_7.PDB 4.27192 -7.06000 -0.63000 -0.67000 -4.49000 -0.68000 3.18000 -6.31000 0.55000 2.41000 0.60000 0.00000 0.00000 0.00000 0.29000 0.30000 0.00000 -0.69000 0.00000 -0.63000 0.00000 2.38000 67.00000 YSC84_2A08-21_8.PDB 3.23659 -8.60000 -1.51000 -3.29000 -5.26000 -0.98000 4.18000 -6.73000 0.72000 4.89000 0.55000 0.00000 0.00000 0.00000 0.18000 0.65000 0.00000 -0.75000 0.00000 -0.62000 0.00000 2.38000 67.00000 YSC84_2A08-21_9.PDB 4.26332 -6.89000 -0.62000 -0.68000 -4.25000 -0.59000 2.87000 -6.08000 0.52000 2.22000 0.56000 0.00000 0.00000 0.00000 0.31000 0.26000 0.00000 -0.57000 0.00000 -0.57000 0.00000 2.38000 67.00000 YSC84_2A08-21_10.PDB 4.55843 -7.37000 -0.69000 -0.69000 -4.65000 -0.65000 3.01000 -6.71000 0.67000 2.40000 0.57000 0.00000 0.00000 0.00000 0.55000 0.42000 0.00000 -0.56000 0.00000 -0.61000 0.00000 2.38000 67.00000 YSC84_2A08-21_11.PDB 3.85606 -9.02000 -2.30000 -4.15000 -5.31000 -1.40000 4.96000 -6.56000 1.67000 4.80000 0.53000 0.00000 0.00000 0.00000 0.17000 0.63000 0.00000 -0.70000 0.00000 -0.73000 0.00000 2.38000 67.00000 YSC84_2A08-21_12.PDB 3.29808 -7.72000 -1.56000 -1.60000 -4.73000 -0.73000 3.44000 -6.26000 0.65000 3.50000 0.45000 0.00000 0.00000 0.00000 0.14000 0.63000 0.00000 -0.50000 0.00000 -0.50000 0.00000 2.38000 67.00000 YSC84_2A08-21_13.PDB 3.35845 -7.26000 -0.72000 -2.44000 -4.77000 -0.55000 3.23000 -6.52000 0.48000 4.32000 0.36000 0.00000 0.00000 0.00000 0.11000 0.64000 0.00000 -0.28000 0.00000 -0.48000 0.00000 2.38000 67.00000 YSC84_2A08-21_14.PDB 3.83659 -6.85000 -0.68000 -0.70000 -4.52000 -0.52000 2.94000 -6.21000 0.68000 2.74000 0.31000 0.00000 0.00000 0.00000 0.13000 0.58000 0.00000 -0.55000 0.00000 -0.47000 0.00000 2.38000 67.00000 YSC84_2A08-21_15.PDB 3.53942 -6.97000 -1.48000 -1.55000 -5.19000 -1.18000 4.17000 -6.60000 1.75000 3.64000 0.39000 0.00000 0.00000 0.00000 0.22000 0.71000 0.00000 -0.52000 0.00000 -0.62000 0.00000 2.38000 67.00000 YSC84_2A08-21_16.PDB 4.95356 -7.10000 -0.69000 -2.44000 -4.65000 -0.55000 3.12000 -6.36000 0.58000 3.91000 1.07000 0.00000 0.00000 0.00000 0.11000 0.56000 0.00000 -0.71000 0.00000 -0.50000 0.00000 2.38000 67.00000 YSC84_2A08-21_17.PDB 5.17745 -8.85000 -2.24000 -4.10000 -5.84000 -2.03000 5.39000 -7.16000 2.82000 5.19000 0.57000 0.00000 0.00000 0.00000 0.24000 0.74000 0.00000 -0.75000 0.00000 -0.94000 0.00000 2.38000 67.00000 YSC84_2A08-21_18.PDB 5.01483 -7.53000 -0.69000 -2.47000 -4.68000 -0.60000 3.13000 -6.39000 0.54000 4.15000 0.44000 0.00000 0.00000 0.00000 0.13000 0.58000 0.00000 -0.54000 0.00000 -0.54000 0.00000 2.38000 67.00000 YSC84_2A08-21_19.PDB 3.60861 -7.16000 -1.43000 -1.53000 -5.01000 -0.78000 3.73000 -6.71000 1.38000 3.35000 0.53000 0.00000 0.00000 0.00000 0.19000 0.42000 0.00000 -0.50000 0.00000 -0.38000 0.00000 2.38000 67.00000 YSC84_2A08-21_20.PDB 3.61414 -7.19000 -1.42000 -1.87000 -5.03000 -0.92000 4.01000 -6.71000 1.37000 3.39000 0.51000 0.00000 0.00000 0.00000 0.19000 0.40000 0.00000 -0.29000 0.00000 -0.42000 0.00000 2.38000 67.00000 YSC84_2A08-21_21.PDB 3.55330 -6.62000 -0.65000 -0.65000 -4.53000 -0.31000 3.09000 -6.25000 0.61000 2.42000 0.43000 0.00000 0.00000 0.00000 0.18000 0.43000 0.00000 -0.73000 0.00000 -0.22000 0.00000 2.38000 67.00000 YSC84_2A08-21_22.PDB 3.51389 -6.85000 -0.64000 -0.68000 -4.41000 -0.41000 2.81000 -6.11000 0.65000 2.49000 0.28000 0.00000 0.00000 0.00000 0.13000 0.61000 0.00000 -0.62000 0.00000 -0.36000 0.00000 2.38000 67.00000 YSC84_2A08-21_23.PDB 3.78283 -6.40000 -1.48000 -1.88000 -4.85000 -1.07000 3.82000 -6.28000 2.11000 3.99000 0.51000 0.00000 0.00000 0.00000 0.10000 0.63000 0.00000 -0.68000 0.00000 -0.70000 0.00000 2.38000 67.00000 YSC84_2A08-21_24.PDB 3.65415 -7.09000 -0.64000 -0.66000 -4.41000 -0.40000 2.74000 -6.15000 0.56000 2.45000 0.28000 0.00000 0.00000 0.00000 0.13000 0.59000 0.00000 -0.62000 0.00000 -0.36000 0.00000 2.38000 67.00000 YSC84_2A08-21_25.PDB 3.71509 -7.94000 -1.45000 -1.57000 -4.91000 -0.96000 3.75000 -6.71000 0.60000 3.35000 0.73000 0.00000 0.00000 0.00000 0.46000 0.27000 0.00000 -0.49000 0.00000 -0.74000 0.00000 2.38000 67.00000 YSC84_2A08-21_26.PDB 2.91156 -6.93000 -0.62000 -0.69000 -4.77000 -0.47000 3.29000 -6.48000 0.58000 2.76000 0.31000 0.00000 0.00000 0.00000 0.15000 0.60000 0.00000 -0.61000 0.00000 -0.39000 0.00000 2.38000 67.00000 YSC84_2A08-21_27.PDB 3.59938 -6.45000 -1.48000 -1.46000 -4.78000 -1.04000 3.64000 -6.24000 1.34000 3.69000 1.06000 0.00000 0.00000 0.00000 0.05000 0.58000 0.00000 -0.52000 0.00000 -0.71000 0.00000 2.38000 67.00000 YSC84_2A08-21_28.PDB 3.30741 -7.38000 -1.41000 -2.45000 -5.16000 -1.28000 4.52000 -6.51000 1.52000 4.18000 0.52000 0.00000 0.00000 0.00000 0.14000 0.63000 0.00000 -0.68000 0.00000 -0.77000 0.00000 2.38000 67.00000 YSC84_2A08-21_29.PDB 3.75055 -7.83000 -1.47000 -1.55000 -4.83000 -0.87000 3.66000 -6.63000 0.54000 3.31000 0.73000 0.00000 0.00000 0.00000 0.48000 0.21000 0.00000 -0.50000 0.00000 -0.70000 0.00000 2.38000 67.00000 YSC84_2A08-21_30.PDB 3.77903 -8.06000 -1.53000 -1.57000 -4.56000 -0.93000 3.41000 -6.29000 0.52000 3.23000 0.78000 0.00000 0.00000 0.00000 0.23000 0.25000 0.00000 -0.60000 0.00000 -0.73000 0.00000 2.38000 67.00000