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 NBP2_1SEM-1_1.PDB 2.55793 -11.66000 -3.33000 -3.33000 -10.35000 -4.88000 12.70000 -12.21000 2.17000 8.79000 3.78000 0.00000 0.00000 0.00000 0.27000 1.12000 0.00000 -1.20000 0.00000 -4.06000 0.00000 2.38000 67.00000 NBP2_1SEM-1_2.PDB 2.54763 -10.70000 -4.04000 -4.07000 -10.16000 -4.14000 12.56000 -11.99000 2.34000 9.14000 4.65000 0.00000 0.00000 0.00000 0.22000 0.87000 0.00000 -1.40000 0.00000 -3.81000 0.00000 2.38000 67.00000 NBP2_1SEM-1_3.PDB 5.87963 -15.11000 -3.79000 -3.91000 -10.58000 -6.04000 13.24000 -12.57000 0.54000 9.38000 4.98000 0.00000 0.00000 0.00000 0.55000 1.02000 0.00000 -1.99000 0.00000 -4.94000 0.00000 2.38000 67.00000 NBP2_1SEM-1_4.PDB 3.75355 -14.72000 -4.84000 -5.58000 -11.24000 -6.08000 15.99000 -12.89000 0.42000 10.06000 4.83000 0.00000 0.00000 0.00000 0.39000 1.20000 0.00000 -0.83000 0.00000 -4.96000 0.00000 2.38000 67.00000 NBP2_1SEM-1_5.PDB 4.06689 -15.12000 -3.24000 -3.97000 -9.54000 -4.84000 10.87000 -11.20000 0.31000 8.79000 3.35000 0.00000 0.00000 0.00000 0.30000 1.03000 0.00000 -1.67000 0.00000 -4.29000 0.00000 2.38000 67.00000 NBP2_1SEM-1_6.PDB 3.65531 -7.45000 -3.19000 -3.84000 -10.79000 -4.53000 12.94000 -12.95000 6.05000 9.12000 4.74000 0.00000 0.00000 0.00000 0.38000 1.25000 0.00000 -1.20000 0.00000 -4.17000 0.00000 2.38000 67.00000 NBP2_1SEM-1_7.PDB 2.68853 -12.14000 -3.41000 -3.45000 -9.41000 -3.27000 9.89000 -11.53000 1.25000 8.39000 4.14000 0.00000 0.00000 0.00000 0.26000 0.96000 0.00000 -1.72000 0.00000 -3.27000 0.00000 2.38000 67.00000 NBP2_1SEM-1_8.PDB 3.32374 -13.41000 -3.28000 -4.13000 -10.09000 -4.73000 12.44000 -11.89000 0.31000 9.01000 4.09000 0.00000 0.00000 0.00000 0.25000 1.17000 0.00000 -1.35000 0.00000 -4.04000 0.00000 2.38000 67.00000 NBP2_1SEM-1_9.PDB 2.31585 -11.45000 -2.66000 -3.23000 -9.67000 -5.20000 11.58000 -11.43000 2.26000 10.26000 3.68000 0.00000 0.00000 0.00000 0.15000 1.02000 0.00000 -2.38000 0.00000 -4.81000 0.00000 2.38000 67.00000 NBP2_1SEM-1_10.PDB 2.30344 -11.67000 -4.15000 -5.37000 -10.34000 -5.16000 14.09000 -11.82000 2.42000 10.23000 4.27000 0.00000 0.00000 0.00000 0.24000 0.80000 0.00000 -1.78000 0.00000 -4.28000 0.00000 2.38000 67.00000 NBP2_1SEM-1_11.PDB 3.49084 -7.07000 -2.66000 -3.50000 -9.58000 -3.79000 10.53000 -11.82000 5.91000 9.02000 3.52000 0.00000 0.00000 0.00000 0.39000 0.86000 0.00000 -1.42000 0.00000 -3.67000 0.00000 2.38000 67.00000 NBP2_1SEM-1_12.PDB 3.72770 -13.07000 -4.05000 -4.12000 -11.43000 -4.16000 14.13000 -13.60000 0.21000 9.67000 5.15000 0.00000 0.00000 0.00000 0.69000 1.00000 0.00000 -1.61000 0.00000 -3.93000 0.00000 2.38000 67.00000 NBP2_1SEM-1_13.PDB 3.44134 -12.00000 -1.75000 -1.77000 -10.14000 -3.21000 9.82000 -12.96000 0.14000 7.96000 3.40000 0.00000 0.00000 0.00000 0.69000 1.04000 0.00000 -0.73000 0.00000 -3.46000 0.00000 2.38000 67.00000 NBP2_1SEM-1_14.PDB 2.63989 -13.19000 -2.61000 -4.22000 -10.16000 -5.19000 11.48000 -12.47000 2.35000 9.75000 4.34000 0.00000 0.00000 0.00000 0.26000 1.08000 0.00000 -1.96000 0.00000 -4.75000 0.00000 2.38000 67.00000 NBP2_1SEM-1_15.PDB 3.50880 -11.89000 -2.51000 -2.40000 -10.69000 -4.97000 12.31000 -12.89000 0.30000 9.21000 4.32000 0.00000 0.00000 0.00000 0.35000 1.43000 0.00000 -0.65000 0.00000 -4.29000 0.00000 2.38000 67.00000 NBP2_1SEM-1_16.PDB 3.54629 -7.63000 -1.68000 -3.30000 -9.68000 -4.55000 10.52000 -11.87000 5.72000 8.49000 3.63000 0.00000 0.00000 0.00000 0.38000 1.18000 0.00000 -1.08000 0.00000 -4.21000 0.00000 2.38000 67.00000 NBP2_1SEM-1_17.PDB 4.55342 -11.70000 -2.53000 -3.37000 -9.91000 -4.18000 10.90000 -12.23000 0.96000 8.99000 4.82000 0.00000 0.00000 0.00000 0.31000 1.21000 0.00000 -1.53000 0.00000 -3.93000 0.00000 2.38000 67.00000 NBP2_1SEM-1_18.PDB 3.37296 -8.29000 -2.49000 -4.08000 -9.84000 -4.93000 11.68000 -11.41000 6.09000 9.30000 3.44000 0.00000 0.00000 0.00000 0.36000 0.86000 0.00000 -1.86000 0.00000 -4.55000 0.00000 2.38000 67.00000 NBP2_1SEM-1_19.PDB 3.08185 -13.93000 -2.48000 -4.01000 -10.82000 -4.87000 12.55000 -12.60000 0.13000 10.15000 3.56000 0.00000 0.00000 0.00000 0.46000 0.97000 0.00000 -1.57000 0.00000 -4.43000 0.00000 2.38000 67.00000 NBP2_1SEM-1_20.PDB 3.18754 -14.61000 -3.45000 -3.87000 -11.02000 -4.48000 12.37000 -12.71000 0.13000 9.89000 3.95000 0.00000 0.00000 0.00000 0.44000 1.08000 0.00000 -1.57000 0.00000 -4.29000 0.00000 2.38000 67.00000 NBP2_1SEM-1_21.PDB 3.46485 -13.62000 -2.51000 -3.39000 -11.49000 -4.57000 13.11000 -13.95000 0.20000 9.50000 4.36000 0.00000 0.00000 0.00000 0.71000 1.26000 0.00000 -1.39000 0.00000 -4.20000 0.00000 2.38000 67.00000 NBP2_1SEM-1_22.PDB 3.02101 -15.39000 -3.48000 -4.09000 -11.59000 -4.95000 13.28000 -14.18000 1.21000 9.72000 4.48000 0.00000 0.00000 0.00000 0.36000 1.05000 0.00000 -1.84000 0.00000 -4.31000 0.00000 2.38000 67.00000 NBP2_1SEM-1_23.PDB 3.46349 -12.35000 -2.67000 -3.83000 -10.68000 -3.24000 10.98000 -13.60000 0.08000 9.62000 4.64000 0.00000 0.00000 0.00000 0.54000 1.22000 0.00000 -0.91000 0.00000 -3.28000 0.00000 2.38000 67.00000 NBP2_1SEM-1_24.PDB 3.82695 -6.14000 -1.65000 -2.49000 -8.66000 -3.43000 9.10000 -10.81000 5.89000 7.22000 3.41000 0.00000 0.00000 0.00000 0.28000 0.88000 0.00000 -1.48000 0.00000 -3.52000 0.00000 2.38000 67.00000 NBP2_1SEM-1_25.PDB 2.95835 -12.32000 -1.80000 -3.43000 -10.95000 -4.50000 11.58000 -14.00000 1.22000 9.96000 4.52000 0.00000 0.00000 0.00000 0.30000 1.11000 0.00000 -0.87000 0.00000 -4.36000 0.00000 2.38000 67.00000 NBP2_1SEM-1_26.PDB 3.87978 -8.11000 -1.63000 -3.29000 -9.20000 -4.54000 10.13000 -11.20000 5.98000 8.30000 3.34000 0.00000 0.00000 0.00000 0.29000 0.93000 0.00000 -1.83000 0.00000 -4.47000 0.00000 2.38000 67.00000 NBP2_1SEM-1_27.PDB 2.15719 -12.64000 -4.07000 -4.05000 -9.99000 -4.42000 11.44000 -11.62000 2.53000 9.02000 3.68000 0.00000 0.00000 0.00000 0.21000 0.84000 0.00000 -1.28000 0.00000 -4.10000 0.00000 2.38000 67.00000 NBP2_1SEM-1_28.PDB 2.64453 -12.47000 -3.48000 -3.96000 -9.79000 -4.78000 11.78000 -11.50000 2.09000 9.34000 3.73000 0.00000 0.00000 0.00000 0.19000 0.83000 0.00000 -1.67000 0.00000 -4.41000 0.00000 2.38000 67.00000 NBP2_1SEM-1_29.PDB 3.34819 -14.94000 -3.45000 -4.38000 -11.17000 -5.01000 13.65000 -13.10000 0.12000 9.65000 3.92000 0.00000 0.00000 0.00000 0.69000 1.10000 0.00000 -1.43000 0.00000 -4.43000 0.00000 2.38000 67.00000 NBP2_1SEM-1_30.PDB 3.64819 -13.96000 -2.60000 -3.93000 -10.47000 -5.15000 11.91000 -12.27000 0.33000 9.72000 4.47000 0.00000 0.00000 0.00000 0.36000 1.35000 0.00000 -1.79000 0.00000 -4.55000 0.00000 2.38000 67.00000