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 2OQ12_1.PDB 1.81154 -20.60000 -3.41000 -5.16000 -10.86000 -9.26000 16.78000 -12.33000 0.11000 6.44000 4.27000 0.00000 0.00000 0.00000 0.06000 0.74000 -0.53000 -0.80000 0.00000 -5.91000 0.00000 2.38000 120.00000 2OQ12_2.PDB 1.67384 -22.04000 -3.38000 -5.17000 -10.87000 -9.87000 16.06000 -12.32000 0.16000 6.63000 4.40000 0.00000 0.00000 0.00000 0.08000 0.72000 -0.53000 -1.17000 0.00000 -6.07000 0.00000 2.38000 120.00000 2OQ12_3.PDB 1.86269 -19.71000 -3.39000 -5.03000 -10.71000 -8.76000 16.59000 -12.32000 0.35000 6.37000 3.39000 0.00000 0.00000 0.00000 0.08000 0.69000 -0.53000 -0.26000 0.00000 -5.50000 0.00000 2.38000 120.00000 2OQ12_4.PDB 1.64133 -23.75000 -3.11000 -5.25000 -10.79000 -10.11000 15.58000 -12.40000 0.14000 7.20000 4.41000 0.00000 0.00000 0.00000 0.08000 0.74000 -0.51000 -1.84000 0.00000 -7.16000 0.00000 2.38000 120.00000 2OQ12_5.PDB 2.71908 -20.05000 -3.40000 -4.60000 -10.73000 -8.91000 15.99000 -12.34000 0.25000 6.05000 4.20000 0.00000 0.00000 0.00000 0.12000 0.71000 -0.52000 -0.28000 0.00000 -5.91000 0.00000 2.38000 120.00000 2OQ12_6.PDB 1.66891 -22.97000 -3.42000 -5.77000 -10.58000 -10.34000 15.75000 -11.96000 0.23000 7.60000 4.52000 0.00000 0.00000 0.00000 0.05000 0.68000 -0.53000 -1.45000 0.00000 -7.08000 0.00000 2.38000 120.00000 2OQ12_7.PDB 1.81065 -22.81000 -3.44000 -5.55000 -10.59000 -10.44000 15.80000 -11.93000 0.11000 7.63000 4.51000 0.00000 0.00000 0.00000 0.08000 0.67000 -0.54000 -1.31000 0.00000 -7.15000 0.00000 2.38000 120.00000 2OQ12_8.PDB 2.77355 -22.42000 -3.43000 -5.52000 -10.79000 -10.70000 16.60000 -12.12000 0.29000 7.42000 4.81000 0.00000 0.00000 0.00000 0.08000 0.63000 -0.61000 -0.92000 0.00000 -7.52000 0.00000 2.38000 120.00000 2OQ12_9.PDB 1.49362 -24.71000 -3.17000 -6.83000 -10.72000 -10.74000 15.54000 -12.21000 0.08000 8.93000 4.58000 0.00000 0.00000 0.00000 0.07000 0.71000 -0.52000 -2.16000 0.00000 -7.56000 0.00000 2.38000 120.00000 2OQ12_10.PDB 1.72691 -21.69000 -3.42000 -4.80000 -10.98000 -9.43000 15.96000 -12.52000 0.18000 6.42000 4.18000 0.00000 0.00000 0.00000 0.10000 0.74000 -0.55000 -0.83000 0.00000 -6.01000 0.00000 2.38000 120.00000 2OQ12_11.PDB 1.70042 -23.15000 -3.43000 -4.88000 -10.98000 -10.22000 16.49000 -12.50000 0.38000 7.32000 3.97000 0.00000 0.00000 0.00000 0.07000 0.65000 -0.54000 -1.55000 0.00000 -7.28000 0.00000 2.38000 120.00000 2OQ12_12.PDB 1.60348 -21.35000 -3.43000 -5.94000 -11.05000 -9.78000 16.88000 -12.39000 0.15000 7.09000 4.60000 0.00000 0.00000 0.00000 0.07000 0.78000 -0.52000 -0.85000 0.00000 -6.19000 0.00000 2.38000 120.00000 2OQ12_13.PDB 1.75194 -21.91000 -3.42000 -6.30000 -10.46000 -9.95000 16.57000 -11.77000 0.12000 7.39000 4.71000 0.00000 0.00000 0.00000 0.08000 0.70000 -0.56000 -1.25000 0.00000 -7.07000 0.00000 2.38000 120.00000 2OQ12_14.PDB 1.56802 -20.49000 -3.43000 -5.16000 -10.50000 -9.30000 15.55000 -11.86000 0.13000 6.44000 4.58000 0.00000 0.00000 0.00000 0.09000 0.63000 -0.53000 -0.81000 0.00000 -5.69000 0.00000 2.38000 120.00000 2OQ12_15.PDB 1.71283 -21.37000 -3.39000 -4.65000 -10.87000 -9.86000 16.61000 -12.29000 0.44000 6.81000 3.51000 0.00000 0.00000 0.00000 0.07000 0.73000 -0.55000 -0.79000 0.00000 -6.41000 0.00000 2.38000 120.00000 2OQ12_16.PDB 2.00191 -20.39000 -3.40000 -4.75000 -10.60000 -9.03000 15.83000 -12.11000 0.30000 6.30000 3.74000 0.00000 0.00000 0.00000 0.09000 0.66000 -0.49000 -0.58000 0.00000 -5.69000 0.00000 2.38000 120.00000 2OQ12_17.PDB 1.69695 -23.31000 -3.44000 -6.19000 -10.83000 -10.30000 16.41000 -12.32000 0.28000 8.64000 4.08000 0.00000 0.00000 0.00000 0.06000 0.67000 -0.55000 -1.56000 0.00000 -7.61000 0.00000 2.38000 120.00000 2OQ12_18.PDB 1.65053 -21.02000 -3.39000 -4.85000 -10.46000 -8.91000 15.43000 -11.98000 0.22000 6.49000 3.64000 0.00000 0.00000 0.00000 0.05000 0.64000 -0.53000 -0.92000 0.00000 -5.83000 0.00000 2.38000 120.00000 2OQ12_19.PDB 2.58487 -20.04000 -3.39000 -3.99000 -10.79000 -8.56000 15.93000 -12.45000 0.31000 5.91000 3.94000 0.00000 0.00000 0.00000 0.06000 0.73000 -0.54000 -0.72000 0.00000 -5.75000 0.00000 2.38000 120.00000 2OQ12_20.PDB 1.98209 -20.81000 -3.43000 -6.05000 -10.86000 -9.70000 16.80000 -12.19000 0.57000 6.80000 4.51000 0.00000 0.00000 0.00000 0.11000 0.67000 0.00000 -1.20000 0.00000 -6.17000 0.00000 2.38000 120.00000 2OQ12_21.PDB 1.67954 -21.62000 -3.42000 -5.18000 -10.49000 -9.46000 15.68000 -11.96000 0.12000 6.57000 3.89000 0.00000 0.00000 0.00000 0.08000 0.73000 -0.58000 -0.97000 0.00000 -5.89000 0.00000 2.38000 120.00000 2OQ12_22.PDB 1.80164 -20.94000 -3.41000 -5.54000 -10.96000 -9.22000 16.40000 -12.60000 0.54000 7.69000 3.56000 0.00000 0.00000 0.00000 0.08000 0.76000 -0.57000 -0.62000 0.00000 -6.29000 0.00000 2.38000 120.00000 2OQ12_23.PDB 1.53408 -21.14000 -3.41000 -5.92000 -10.54000 -9.65000 15.57000 -12.05000 0.16000 7.68000 4.71000 0.00000 0.00000 0.00000 0.07000 0.75000 -0.55000 -0.76000 0.00000 -6.45000 0.00000 2.38000 120.00000 2OQ12_24.PDB 2.08293 -20.88000 -3.41000 -5.47000 -10.40000 -9.90000 16.44000 -11.74000 0.14000 7.50000 4.47000 0.00000 0.00000 0.00000 0.06000 0.68000 -0.52000 -1.21000 0.00000 -6.86000 0.00000 2.38000 120.00000 2OQ12_25.PDB 1.85236 -20.42000 -3.41000 -5.06000 -10.85000 -9.08000 16.70000 -12.42000 0.28000 6.51000 3.79000 0.00000 0.00000 0.00000 0.08000 0.74000 -0.55000 -0.57000 0.00000 -5.84000 0.00000 2.38000 120.00000 2OQ12_26.PDB 1.90518 -20.11000 -3.42000 -5.14000 -10.87000 -9.36000 16.76000 -12.30000 0.14000 7.00000 4.27000 0.00000 0.00000 0.00000 0.08000 0.69000 -0.53000 -0.69000 0.00000 -6.06000 0.00000 2.38000 120.00000 2OQ12_27.PDB 1.80692 -21.79000 -3.42000 -4.75000 -10.76000 -9.90000 16.19000 -12.15000 0.13000 6.69000 4.50000 0.00000 0.00000 0.00000 0.09000 0.67000 -0.53000 -1.42000 0.00000 -6.44000 0.00000 2.38000 120.00000 2OQ12_28.PDB 1.78457 -20.29000 -3.47000 -5.05000 -11.00000 -9.20000 16.25000 -12.77000 0.13000 7.14000 4.72000 0.00000 0.00000 0.00000 0.10000 0.76000 -0.54000 -0.72000 0.00000 -5.88000 0.00000 2.38000 120.00000 2OQ12_29.PDB 1.65357 -23.09000 -3.40000 -5.63000 -10.23000 -10.67000 15.72000 -11.31000 0.09000 7.65000 3.99000 0.00000 0.00000 0.00000 0.08000 0.67000 -0.52000 -1.60000 0.00000 -7.26000 0.00000 2.38000 120.00000 2OQ12_30.PDB 1.90712 -20.55000 -3.59000 -4.54000 -11.05000 -8.87000 15.85000 -12.81000 0.51000 6.46000 4.22000 0.00000 0.00000 0.00000 0.20000 0.73000 -0.56000 -0.58000 0.00000 -5.78000 0.00000 2.38000 120.00000