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 2OQS2_1.PDB 8.62796 -5.73000 -4.11000 0.01000 -9.69000 -0.98000 13.31000 -12.51000 2.90000 3.06000 3.78000 0.00000 0.00000 0.00000 0.28000 2.79000 -0.12000 -0.80000 0.00000 -0.86000 0.00000 2.38000 93.00000 2OQS2_2.PDB 9.44932 -5.91000 -4.03000 0.01000 -9.04000 -1.11000 12.80000 -11.50000 2.36000 2.78000 3.52000 0.00000 0.00000 0.00000 0.24000 2.69000 -0.13000 -0.73000 0.00000 -1.08000 0.00000 2.38000 93.00000 2OQS2_3.PDB 7.95598 -5.36000 -3.98000 0.02000 -9.51000 -0.82000 13.16000 -12.30000 2.47000 3.12000 3.69000 0.00000 0.00000 0.00000 0.27000 2.64000 -0.12000 -0.60000 0.00000 -0.76000 0.00000 2.38000 93.00000 2OQS2_4.PDB 8.54698 -5.21000 -4.03000 0.03000 -9.38000 -0.89000 13.06000 -11.98000 2.52000 3.01000 3.76000 0.00000 0.00000 0.00000 0.28000 2.69000 -0.12000 -0.60000 0.00000 -0.85000 0.00000 2.38000 93.00000 2OQS2_5.PDB 8.64364 -5.38000 -3.89000 -1.68000 -9.18000 -0.84000 13.11000 -11.77000 2.89000 3.75000 3.70000 0.00000 0.00000 0.00000 0.26000 2.58000 -0.07000 -0.78000 0.00000 -0.86000 0.00000 2.38000 93.00000 2OQS2_6.PDB 9.34933 -5.44000 -4.01000 0.02000 -8.84000 -1.12000 12.63000 -11.24000 2.34000 2.91000 3.49000 0.00000 0.00000 0.00000 0.22000 2.66000 -0.13000 -0.65000 0.00000 -1.07000 0.00000 2.38000 93.00000 2OQS2_7.PDB 9.29338 -5.63000 -3.85000 -1.56000 -8.53000 -1.08000 12.84000 -10.71000 2.31000 3.43000 3.49000 0.00000 0.00000 0.00000 0.20000 2.60000 -0.09000 -0.97000 0.00000 -1.11000 0.00000 2.38000 93.00000 2OQS2_8.PDB 7.73257 -5.81000 -4.12000 0.06000 -10.59000 -0.91000 13.65000 -13.95000 2.75000 4.03000 4.34000 0.00000 0.00000 0.00000 0.29000 2.77000 -0.10000 -0.62000 0.00000 -0.65000 0.00000 2.38000 93.00000 2OQS2_9.PDB 9.56966 -4.96000 -3.99000 -0.87000 -8.83000 -0.83000 12.78000 -11.16000 2.37000 3.19000 3.59000 0.00000 0.00000 0.00000 0.27000 2.65000 -0.12000 -0.59000 0.00000 -0.77000 0.00000 2.38000 93.00000 2OQS2_10.PDB 9.51267 -5.25000 -3.94000 -2.83000 -8.46000 -0.89000 12.89000 -10.46000 2.39000 3.91000 3.53000 0.00000 0.00000 0.00000 0.21000 2.58000 -0.07000 -0.67000 0.00000 -0.87000 0.00000 2.38000 93.00000 2OQS2_11.PDB 9.25620 -6.20000 -4.14000 0.00000 -10.08000 -1.19000 13.07000 -13.18000 2.45000 3.87000 4.25000 0.00000 0.00000 0.00000 0.24000 2.85000 -0.11000 -0.46000 0.00000 -0.92000 0.00000 2.38000 93.00000 2OQS2_12.PDB 9.60844 -5.74000 -4.06000 -0.10000 -10.13000 -0.87000 12.77000 -13.60000 2.93000 3.83000 4.23000 0.00000 0.00000 0.00000 0.27000 2.69000 -0.10000 -0.32000 0.00000 -0.60000 0.00000 2.38000 93.00000 2OQS2_13.PDB 9.47226 -5.71000 -4.08000 -1.03000 -9.77000 -0.90000 13.11000 -12.72000 2.46000 3.88000 4.22000 0.00000 0.00000 0.00000 0.27000 2.77000 -0.10000 -0.41000 0.00000 -0.65000 0.00000 2.38000 93.00000 2OQS2_14.PDB 9.62031 -5.11000 -4.01000 -0.05000 -10.15000 -0.83000 14.39000 -13.10000 2.60000 3.26000 4.30000 0.00000 0.00000 0.00000 0.33000 2.71000 -0.10000 -0.90000 0.00000 -0.83000 0.00000 2.38000 93.00000 2OQS2_15.PDB 8.51810 -5.76000 -4.04000 0.04000 -10.18000 -0.50000 12.73000 -13.58000 2.92000 3.35000 4.33000 0.00000 0.00000 0.00000 0.26000 2.74000 -0.05000 -0.51000 0.00000 -0.54000 0.00000 2.38000 93.00000 2OQS2_16.PDB 8.78876 -5.84000 -3.95000 -1.74000 -9.76000 -0.90000 13.13000 -12.89000 2.53000 4.29000 4.43000 0.00000 0.00000 0.00000 0.25000 2.70000 -0.05000 -0.48000 0.00000 -0.69000 0.00000 2.38000 93.00000 2OQS2_17.PDB 6.49944 -4.36000 -4.61000 -0.50000 -10.48000 -0.83000 14.87000 -13.53000 3.78000 4.12000 4.35000 0.00000 0.00000 0.00000 0.15000 2.72000 -0.10000 -0.76000 0.00000 -0.81000 0.00000 2.38000 93.00000 2OQS2_18.PDB 8.97349 -6.54000 -4.10000 -0.02000 -9.62000 -1.20000 12.68000 -12.60000 1.84000 3.66000 4.17000 0.00000 0.00000 0.00000 0.21000 2.71000 -0.11000 -0.52000 0.00000 -0.94000 0.00000 2.38000 93.00000 2OQS2_19.PDB 8.63874 -6.23000 -4.03000 -1.67000 -9.52000 -1.47000 13.47000 -12.38000 2.25000 4.37000 4.40000 0.00000 0.00000 0.00000 0.22000 2.68000 -0.07000 -0.72000 0.00000 -1.09000 0.00000 2.38000 93.00000 2OQS2_20.PDB 8.22697 -4.59000 -4.03000 -0.03000 -9.93000 -1.17000 15.02000 -12.51000 2.40000 3.23000 4.35000 0.00000 0.00000 0.00000 0.31000 2.67000 -0.12000 -1.04000 0.00000 -1.06000 0.00000 2.38000 93.00000 2OQS2_21.PDB 8.60717 -4.22000 -4.60000 -0.54000 -9.94000 -1.50000 15.39000 -12.39000 2.91000 3.76000 4.34000 0.00000 0.00000 0.00000 0.25000 2.75000 -0.13000 -0.58000 0.00000 -1.19000 0.00000 2.38000 93.00000 2OQS2_22.PDB 9.41897 -5.40000 -4.04000 0.03000 -9.83000 -0.89000 12.76000 -13.08000 2.64000 3.68000 4.21000 0.00000 0.00000 0.00000 0.24000 2.71000 -0.10000 -0.44000 0.00000 -0.60000 0.00000 2.38000 93.00000 2OQS2_23.PDB 8.70885 -5.33000 -4.01000 0.07000 -9.70000 -1.06000 13.08000 -12.59000 2.88000 3.26000 4.18000 0.00000 0.00000 0.00000 0.22000 2.71000 -0.08000 -0.61000 0.00000 -0.97000 0.00000 2.38000 93.00000 2OQS2_24.PDB 9.34550 -4.70000 -4.00000 -0.04000 -9.70000 -0.78000 13.93000 -12.53000 2.29000 3.22000 4.20000 0.00000 0.00000 0.00000 0.23000 2.63000 -0.10000 -0.65000 0.00000 -0.77000 0.00000 2.38000 93.00000 2OQS2_25.PDB 8.13487 -5.20000 -4.08000 0.02000 -9.89000 -0.68000 12.68000 -13.27000 3.21000 3.47000 4.16000 0.00000 0.00000 0.00000 0.27000 2.68000 -0.05000 -0.42000 0.00000 -0.63000 0.00000 2.38000 93.00000 2OQS2_26.PDB 9.48765 -4.27000 -4.04000 -1.11000 -9.93000 -0.83000 14.53000 -12.54000 2.86000 3.69000 4.33000 0.00000 0.00000 0.00000 0.31000 2.72000 -0.10000 -0.62000 0.00000 -0.82000 0.00000 2.38000 93.00000 2OQS2_27.PDB 9.49029 -6.01000 -4.12000 -0.06000 -10.42000 -0.88000 13.28000 -13.95000 3.10000 3.78000 4.14000 0.00000 0.00000 0.00000 0.26000 2.80000 -0.10000 -0.43000 0.00000 -0.63000 0.00000 2.38000 93.00000 2OQS2_28.PDB 8.42699 -4.65000 -4.54000 -0.52000 -9.93000 -0.78000 14.35000 -12.72000 2.94000 3.66000 4.21000 0.00000 0.00000 0.00000 0.22000 2.71000 -0.10000 -0.67000 0.00000 -0.75000 0.00000 2.38000 93.00000 2OQS2_29.PDB 7.92027 -5.50000 -3.97000 -2.53000 -9.25000 -0.88000 13.00000 -11.92000 2.32000 4.69000 4.08000 0.00000 0.00000 0.00000 0.26000 2.71000 -0.04000 -0.57000 0.00000 -0.68000 0.00000 2.38000 93.00000 2OQS2_30.PDB 9.46210 -6.10000 -4.09000 -1.07000 -9.65000 -0.88000 13.06000 -12.47000 2.52000 3.62000 3.97000 0.00000 0.00000 0.00000 0.25000 2.78000 0.09000 -0.72000 0.00000 -0.75000 0.00000 2.38000 93.00000