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-18_1.PDB 3.80565 -5.72000 -0.06000 0.00000 -7.61000 -0.62000 5.14000 -11.42000 3.42000 3.68000 2.68000 0.00000 0.00000 0.00000 0.24000 0.88000 0.00000 -0.36000 0.00000 -0.82000 0.00000 2.38000 67.00000 NBP2_1SEM-18_2.PDB 4.00465 -6.18000 -0.85000 -0.80000 -7.62000 -1.37000 5.67000 -11.15000 3.58000 4.77000 3.52000 0.00000 0.00000 0.00000 0.17000 0.69000 0.00000 -0.57000 0.00000 -1.54000 0.00000 2.38000 67.00000 NBP2_1SEM-18_3.PDB 4.06576 -6.40000 -0.85000 -1.55000 -7.69000 -2.15000 6.67000 -10.81000 3.51000 5.47000 3.26000 0.00000 0.00000 0.00000 0.21000 0.68000 0.00000 -0.61000 0.00000 -1.87000 0.00000 2.38000 67.00000 NBP2_1SEM-18_4.PDB 4.11575 -6.89000 -1.72000 -3.03000 -8.38000 -1.76000 8.02000 -11.34000 3.55000 6.30000 3.55000 0.00000 0.00000 0.00000 0.28000 0.91000 0.00000 -1.05000 0.00000 -1.31000 0.00000 2.38000 67.00000 NBP2_1SEM-18_5.PDB 3.61570 -6.40000 -1.40000 -1.38000 -7.72000 -0.90000 6.29000 -11.15000 3.28000 4.98000 3.37000 0.00000 0.00000 0.00000 0.20000 0.94000 0.00000 -0.90000 0.00000 -1.08000 0.00000 2.38000 67.00000 NBP2_1SEM-18_6.PDB 4.47561 -7.17000 -0.86000 -4.12000 -8.20000 -1.44000 7.61000 -11.41000 3.43000 6.75000 3.79000 0.00000 0.00000 0.00000 0.27000 1.04000 0.00000 -1.45000 0.00000 -1.53000 0.00000 2.38000 67.00000 NBP2_1SEM-18_7.PDB 3.70135 -6.84000 -1.72000 -1.71000 -7.82000 -1.57000 6.65000 -11.04000 3.72000 5.04000 3.67000 0.00000 0.00000 0.00000 0.17000 0.80000 0.00000 -0.51000 0.00000 -1.72000 0.00000 2.38000 67.00000 NBP2_1SEM-18_8.PDB 4.79903 -6.41000 -0.84000 -2.46000 -8.23000 -2.08000 7.47000 -11.39000 3.59000 6.46000 3.87000 0.00000 0.00000 0.00000 0.32000 0.78000 0.00000 -1.02000 0.00000 -2.10000 0.00000 2.38000 67.00000 NBP2_1SEM-18_9.PDB 3.07346 -6.93000 -0.84000 -2.57000 -7.88000 -1.03000 5.97000 -11.40000 3.53000 5.71000 3.40000 0.00000 0.00000 0.00000 0.23000 1.08000 0.00000 -0.76000 0.00000 -1.30000 0.00000 2.38000 67.00000 NBP2_1SEM-18_10.PDB 3.83583 -6.62000 -1.72000 -1.71000 -7.66000 -1.58000 6.60000 -10.88000 3.35000 5.27000 3.96000 0.00000 0.00000 0.00000 0.19000 0.79000 0.00000 -0.67000 0.00000 -1.76000 0.00000 2.38000 67.00000 NBP2_1SEM-18_11.PDB 4.66869 -5.69000 -0.88000 -1.52000 -7.75000 -2.10000 6.77000 -10.88000 3.39000 5.91000 4.07000 0.00000 0.00000 0.00000 0.26000 0.79000 0.00000 -0.71000 0.00000 -2.24000 0.00000 2.38000 67.00000 NBP2_1SEM-18_12.PDB 4.01257 -5.10000 -0.84000 -0.80000 -8.10000 -1.17000 6.18000 -11.78000 3.52000 5.46000 3.82000 0.00000 0.00000 0.00000 0.22000 0.92000 0.00000 -0.65000 0.00000 -0.96000 0.00000 2.38000 67.00000 NBP2_1SEM-18_13.PDB 4.06433 -6.21000 -0.94000 -0.88000 -7.63000 -0.89000 5.43000 -11.34000 3.24000 4.81000 3.47000 0.00000 0.00000 0.00000 0.23000 0.91000 0.00000 -0.57000 0.00000 -1.14000 0.00000 2.38000 67.00000 NBP2_1SEM-18_14.PDB 4.45317 -7.58000 -0.81000 -0.79000 -7.70000 -2.14000 6.36000 -10.89000 3.28000 4.59000 3.22000 0.00000 0.00000 0.00000 0.19000 0.78000 0.00000 -0.62000 0.00000 -2.27000 0.00000 2.38000 67.00000 NBP2_1SEM-18_15.PDB 4.45952 -5.29000 -0.95000 -2.25000 -8.18000 -1.36000 6.70000 -11.61000 3.73000 6.34000 3.87000 0.00000 0.00000 0.00000 0.21000 0.97000 0.00000 -0.57000 0.00000 -1.22000 0.00000 2.38000 67.00000 NBP2_1SEM-18_16.PDB 4.95033 -6.74000 -1.71000 -1.69000 -7.86000 -2.59000 7.52000 -10.72000 3.52000 5.68000 3.92000 0.00000 0.00000 0.00000 0.22000 0.76000 0.00000 -0.80000 0.00000 -2.23000 0.00000 2.38000 67.00000 NBP2_1SEM-18_17.PDB 4.43974 -6.15000 -0.92000 -0.87000 -8.70000 -1.10000 7.02000 -12.33000 3.73000 5.10000 3.52000 0.00000 0.00000 0.00000 0.26000 0.80000 0.00000 -0.73000 0.00000 -1.13000 0.00000 2.38000 67.00000 NBP2_1SEM-18_18.PDB 4.07470 -6.09000 -0.91000 -0.86000 -7.84000 -0.71000 5.58000 -11.54000 3.64000 4.65000 3.07000 0.00000 0.00000 0.00000 0.25000 0.86000 0.00000 -0.49000 0.00000 -0.90000 0.00000 2.38000 67.00000 NBP2_1SEM-18_19.PDB 3.91979 -6.55000 -0.83000 -0.77000 -7.64000 -1.41000 5.73000 -11.17000 3.19000 4.58000 3.69000 0.00000 0.00000 0.00000 0.22000 0.82000 0.00000 -0.49000 0.00000 -1.66000 0.00000 2.38000 67.00000 NBP2_1SEM-18_20.PDB 6.15883 -7.41000 -0.87000 -0.83000 -8.39000 -0.87000 5.90000 -12.32000 3.66000 4.70000 2.78000 0.00000 0.00000 0.00000 0.15000 0.88000 0.00000 -0.26000 0.00000 -1.06000 0.00000 2.38000 67.00000 NBP2_1SEM-18_21.PDB 4.63570 -4.58000 -0.88000 -0.82000 -7.63000 -1.91000 6.30000 -10.93000 3.45000 5.66000 4.22000 0.00000 0.00000 0.00000 0.26000 0.79000 0.00000 -0.65000 0.00000 -1.66000 0.00000 2.38000 67.00000 NBP2_1SEM-18_22.PDB 4.53599 -5.87000 -1.70000 -3.32000 -8.41000 -1.36000 7.77000 -11.50000 3.68000 6.72000 4.24000 0.00000 0.00000 0.00000 0.30000 1.02000 0.00000 -1.23000 0.00000 -1.07000 0.00000 2.38000 67.00000 NBP2_1SEM-18_23.PDB 4.28949 -6.68000 -0.91000 -0.86000 -7.85000 -2.10000 6.59000 -10.98000 3.41000 5.30000 3.40000 0.00000 0.00000 0.00000 0.16000 0.74000 0.00000 -0.61000 0.00000 -2.24000 0.00000 2.38000 67.00000 NBP2_1SEM-18_24.PDB 4.33061 -7.00000 -0.81000 -0.77000 -7.83000 -2.14000 6.15000 -11.35000 3.47000 5.06000 3.68000 0.00000 0.00000 0.00000 0.19000 0.74000 0.00000 -0.47000 0.00000 -2.18000 0.00000 2.38000 67.00000 NBP2_1SEM-18_25.PDB 3.90227 -7.47000 -0.83000 -2.18000 -8.33000 -1.77000 6.74000 -11.88000 3.69000 5.96000 3.44000 0.00000 0.00000 0.00000 0.26000 0.99000 0.00000 -0.70000 0.00000 -1.87000 0.00000 2.38000 67.00000 NBP2_1SEM-18_26.PDB 3.94968 -7.08000 -0.88000 -1.53000 -7.53000 -1.33000 6.01000 -10.76000 3.27000 4.82000 2.87000 0.00000 0.00000 0.00000 0.19000 0.86000 0.00000 -0.81000 0.00000 -1.38000 0.00000 2.38000 67.00000 NBP2_1SEM-18_27.PDB 3.73933 -6.38000 -0.86000 -2.12000 -8.21000 -2.13000 7.13000 -11.40000 3.85000 6.43000 3.70000 0.00000 0.00000 0.00000 0.23000 0.96000 0.00000 -1.11000 0.00000 -1.88000 0.00000 2.38000 67.00000 NBP2_1SEM-18_28.PDB 4.44531 -7.07000 -0.83000 -0.78000 -7.79000 -1.68000 5.88000 -11.42000 3.48000 4.75000 3.59000 0.00000 0.00000 0.00000 0.21000 0.76000 0.00000 -0.44000 0.00000 -2.02000 0.00000 2.38000 67.00000 NBP2_1SEM-18_29.PDB 4.42059 -6.73000 -1.53000 -1.51000 -8.06000 -2.68000 8.28000 -10.93000 3.25000 5.67000 4.07000 0.00000 0.00000 0.00000 0.24000 0.82000 0.00000 -0.93000 0.00000 -2.61000 0.00000 2.38000 67.00000 NBP2_1SEM-18_30.PDB 3.83432 -7.78000 -0.77000 -0.76000 -8.54000 -1.46000 6.80000 -12.27000 3.76000 4.55000 2.62000 0.00000 0.00000 0.00000 0.10000 0.84000 0.00000 -0.36000 0.00000 -1.46000 0.00000 2.38000 67.00000