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-21_1.PDB 5.45266 -7.56000 -1.82000 -5.12000 -5.97000 -0.61000 5.72000 -7.95000 2.55000 4.86000 1.92000 0.00000 0.00000 0.00000 0.31000 0.69000 0.00000 -0.55000 0.00000 -0.92000 0.00000 2.38000 67.00000 NBP2_1SEM-21_2.PDB 4.16984 -6.76000 -1.76000 -4.95000 -6.05000 -0.21000 5.61000 -8.15000 2.33000 4.71000 1.68000 0.00000 0.00000 0.00000 0.69000 0.58000 0.00000 -0.32000 0.00000 -0.34000 0.00000 2.38000 67.00000 NBP2_1SEM-21_3.PDB 7.41135 -8.39000 -1.88000 -3.52000 -5.73000 -1.33000 5.24000 -7.51000 2.29000 4.49000 1.80000 0.00000 0.00000 0.00000 0.15000 0.65000 0.00000 -0.78000 0.00000 -1.59000 0.00000 2.38000 67.00000 NBP2_1SEM-21_4.PDB 7.31123 -7.40000 -1.88000 -4.67000 -5.85000 -0.54000 5.50000 -7.99000 2.32000 4.58000 1.70000 0.00000 0.00000 0.00000 0.39000 0.60000 0.00000 -0.18000 0.00000 -0.78000 0.00000 2.38000 67.00000 NBP2_1SEM-21_5.PDB 5.02138 -4.02000 -0.12000 -2.52000 -6.51000 -1.63000 6.28000 -8.29000 3.81000 5.24000 1.62000 0.00000 0.00000 0.00000 0.42000 0.93000 0.00000 -0.95000 0.00000 -1.38000 0.00000 2.38000 67.00000 NBP2_1SEM-21_6.PDB 7.02806 -8.04000 -1.73000 -3.39000 -6.10000 -1.23000 5.31000 -8.22000 3.21000 4.63000 1.45000 0.00000 0.00000 0.00000 0.21000 0.55000 0.00000 -0.75000 0.00000 -1.41000 0.00000 2.38000 67.00000 NBP2_1SEM-21_7.PDB 3.66667 -5.98000 -1.73000 -5.08000 -5.97000 -0.15000 5.83000 -7.99000 2.77000 4.78000 1.76000 0.00000 0.00000 0.00000 0.36000 0.63000 0.00000 -0.29000 0.00000 -0.26000 0.00000 2.38000 67.00000 NBP2_1SEM-21_8.PDB 4.96429 -7.66000 -1.73000 -3.40000 -5.58000 -0.98000 5.05000 -7.33000 2.11000 4.36000 1.53000 0.00000 0.00000 0.00000 0.11000 0.61000 0.00000 -0.72000 0.00000 -1.07000 0.00000 2.38000 67.00000 NBP2_1SEM-21_9.PDB 5.04348 -3.13000 -0.59000 -2.02000 -5.26000 -0.57000 4.54000 -7.16000 3.79000 3.54000 1.79000 0.00000 0.00000 0.00000 0.26000 0.88000 0.00000 -0.73000 0.00000 -0.73000 0.00000 2.38000 67.00000 NBP2_1SEM-21_10.PDB 5.50811 -3.69000 -0.51000 -2.82000 -6.50000 -1.81000 6.74000 -8.06000 4.22000 5.57000 1.87000 0.00000 0.00000 0.00000 0.32000 1.04000 0.00000 -1.00000 0.00000 -1.71000 0.00000 2.38000 67.00000 NBP2_1SEM-21_11.PDB 3.37429 -5.44000 -1.58000 -3.45000 -5.37000 -0.07000 4.72000 -7.26000 2.75000 3.63000 1.46000 0.00000 0.00000 0.00000 0.22000 0.64000 0.00000 -0.32000 0.00000 -0.17000 0.00000 2.38000 67.00000 NBP2_1SEM-21_12.PDB 5.12588 -3.71000 -0.09000 -2.54000 -7.10000 -1.45000 6.91000 -9.10000 3.73000 5.69000 1.60000 0.00000 0.00000 0.00000 0.56000 0.83000 0.00000 -0.74000 0.00000 -1.19000 0.00000 2.38000 67.00000 NBP2_1SEM-21_13.PDB 6.24392 -7.68000 -1.83000 -4.49000 -6.30000 -0.81000 5.67000 -8.61000 2.97000 4.88000 1.78000 0.00000 0.00000 0.00000 0.83000 0.61000 0.00000 -0.65000 0.00000 -1.10000 0.00000 2.38000 67.00000 NBP2_1SEM-21_14.PDB 5.71462 -4.95000 -1.17000 -3.49000 -6.36000 -2.04000 6.73000 -7.77000 4.31000 5.62000 1.72000 0.00000 0.00000 0.00000 0.40000 1.11000 0.00000 -0.98000 0.00000 -1.93000 0.00000 2.38000 67.00000 NBP2_1SEM-21_15.PDB 6.89787 -7.99000 -0.80000 -2.54000 -6.09000 -1.73000 5.21000 -8.48000 1.01000 4.65000 1.67000 0.00000 0.00000 0.00000 1.04000 0.43000 0.00000 -0.35000 0.00000 -1.58000 0.00000 2.38000 67.00000 NBP2_1SEM-21_16.PDB 4.35827 -7.09000 -1.73000 -3.45000 -6.09000 -0.36000 5.57000 -8.17000 2.46000 4.08000 1.39000 0.00000 0.00000 0.00000 0.33000 0.82000 0.00000 -0.59000 0.00000 -0.53000 0.00000 2.38000 67.00000 NBP2_1SEM-21_17.PDB 5.55506 -1.66000 -0.57000 -2.16000 -4.96000 -0.59000 4.46000 -6.72000 4.77000 3.62000 1.61000 0.00000 0.00000 0.00000 0.23000 0.83000 0.00000 -0.62000 0.00000 -0.74000 0.00000 2.38000 67.00000 NBP2_1SEM-21_18.PDB 4.49583 -9.18000 -2.53000 -4.39000 -7.05000 -2.23000 7.46000 -8.72000 2.92000 5.61000 1.85000 0.00000 0.00000 0.00000 0.31000 0.82000 0.00000 -0.72000 0.00000 -1.70000 0.00000 2.38000 67.00000 NBP2_1SEM-21_19.PDB 4.82955 -6.12000 -0.67000 -3.01000 -7.46000 -2.01000 6.88000 -10.10000 4.32000 5.26000 2.00000 0.00000 0.00000 0.00000 0.41000 0.92000 0.00000 -0.52000 0.00000 -1.21000 0.00000 2.38000 67.00000 NBP2_1SEM-21_20.PDB 6.70758 -8.62000 -1.68000 -3.48000 -5.86000 -1.50000 5.47000 -7.60000 2.12000 4.65000 1.60000 0.00000 0.00000 0.00000 0.12000 0.82000 0.00000 -0.83000 0.00000 -1.62000 0.00000 2.38000 67.00000 NBP2_1SEM-21_21.PDB 5.45411 -7.58000 -1.75000 -5.20000 -6.00000 -0.60000 5.86000 -8.01000 2.39000 4.82000 1.59000 0.00000 0.00000 0.00000 0.33000 0.77000 0.00000 -0.18000 0.00000 -0.84000 0.00000 2.38000 67.00000 NBP2_1SEM-21_22.PDB 4.31240 -7.11000 -1.83000 -5.32000 -6.59000 -0.20000 6.05000 -8.96000 3.03000 5.26000 1.72000 0.00000 0.00000 0.00000 0.69000 0.85000 0.00000 -0.60000 0.00000 -0.35000 0.00000 2.38000 67.00000 NBP2_1SEM-21_23.PDB 6.73812 -6.14000 -0.49000 -2.33000 -6.30000 -1.53000 5.46000 -8.70000 2.44000 4.53000 1.42000 0.00000 0.00000 0.00000 1.16000 0.54000 0.00000 -0.45000 0.00000 -1.35000 0.00000 2.38000 67.00000 NBP2_1SEM-21_24.PDB 4.32890 -7.00000 -1.78000 -3.51000 -5.95000 -1.00000 5.42000 -7.88000 2.47000 4.65000 1.96000 0.00000 0.00000 0.00000 0.12000 0.70000 0.00000 -0.43000 0.00000 -1.08000 0.00000 2.38000 67.00000 NBP2_1SEM-21_25.PDB 3.89808 -5.70000 -1.74000 -5.07000 -6.13000 -0.27000 5.81000 -8.26000 3.94000 4.82000 1.72000 0.00000 0.00000 0.00000 0.34000 0.69000 0.00000 -0.46000 0.00000 -0.42000 0.00000 2.38000 67.00000 NBP2_1SEM-21_26.PDB 4.98867 -4.47000 -0.63000 -2.50000 -7.34000 -2.10000 7.25000 -9.78000 4.11000 5.11000 2.03000 0.00000 0.00000 0.00000 0.84000 0.80000 0.00000 -0.25000 0.00000 -1.21000 0.00000 2.38000 67.00000 NBP2_1SEM-21_27.PDB 6.88954 -8.78000 -1.72000 -3.53000 -6.16000 -1.59000 5.58000 -8.08000 2.25000 4.82000 1.54000 0.00000 0.00000 0.00000 0.42000 0.66000 0.00000 -0.57000 0.00000 -1.75000 0.00000 2.38000 67.00000 NBP2_1SEM-21_28.PDB 5.33684 -7.14000 -1.91000 -5.23000 -6.04000 -0.54000 5.86000 -8.01000 2.59000 4.89000 2.06000 0.00000 0.00000 0.00000 0.32000 0.76000 0.00000 -0.35000 0.00000 -0.79000 0.00000 2.38000 67.00000 NBP2_1SEM-21_29.PDB 3.65796 -7.34000 -1.71000 -3.33000 -4.80000 -1.22000 4.70000 -6.27000 2.10000 4.11000 1.08000 0.00000 0.00000 0.00000 0.11000 0.69000 0.00000 -0.76000 0.00000 -1.35000 0.00000 2.38000 67.00000 NBP2_1SEM-21_30.PDB 6.47723 -4.49000 -1.41000 -4.47000 -6.09000 -0.70000 5.63000 -8.29000 4.66000 5.59000 1.62000 0.00000 0.00000 0.00000 0.46000 0.92000 0.00000 -0.57000 0.00000 -0.92000 0.00000 2.38000 67.00000