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-9_1.PDB 1.37198 -14.52000 -3.63000 -4.18000 -8.67000 -3.92000 9.33000 -10.25000 0.10000 8.13000 2.61000 0.00000 0.00000 0.00000 0.07000 0.68000 0.00000 -0.59000 0.00000 -3.51000 0.00000 2.38000 65.00000 NBP2_1SEM-9_2.PDB 1.56944 -14.01000 -3.78000 -5.26000 -8.75000 -5.09000 10.91000 -10.05000 2.00000 7.98000 2.72000 0.00000 0.00000 0.00000 0.11000 0.72000 0.00000 -0.54000 0.00000 -4.26000 0.00000 2.38000 65.00000 NBP2_1SEM-9_3.PDB 3.02424 -12.28000 -3.64000 -3.66000 -7.99000 -3.00000 8.84000 -9.66000 0.17000 7.32000 2.70000 0.00000 0.00000 0.00000 0.02000 0.59000 0.00000 -0.50000 0.00000 -2.89000 0.00000 2.38000 65.00000 NBP2_1SEM-9_4.PDB 1.60302 -13.13000 -3.64000 -4.03000 -8.51000 -4.29000 10.39000 -9.30000 0.17000 8.35000 2.64000 0.00000 0.00000 0.00000 0.06000 0.69000 0.00000 -0.97000 0.00000 -4.00000 0.00000 2.38000 65.00000 NBP2_1SEM-9_5.PDB 1.17718 -11.85000 -2.77000 -3.36000 -7.89000 -2.75000 7.60000 -9.82000 0.14000 7.67000 2.55000 0.00000 0.00000 0.00000 0.06000 0.64000 0.00000 -0.43000 0.00000 -2.85000 0.00000 2.38000 65.00000 NBP2_1SEM-9_6.PDB 1.15233 -13.86000 -4.48000 -4.53000 -8.25000 -3.74000 10.19000 -9.44000 0.12000 7.79000 2.71000 0.00000 0.00000 0.00000 0.04000 0.68000 0.00000 -0.83000 0.00000 -3.45000 0.00000 2.38000 65.00000 NBP2_1SEM-9_7.PDB 1.00262 -13.61000 -3.64000 -3.90000 -8.38000 -3.36000 9.28000 -9.82000 0.10000 7.55000 2.66000 0.00000 0.00000 0.00000 0.05000 0.63000 0.00000 -0.95000 0.00000 -3.19000 0.00000 2.38000 65.00000 NBP2_1SEM-9_8.PDB 1.58960 -12.95000 -3.42000 -3.47000 -8.17000 -3.53000 9.14000 -9.37000 0.17000 7.51000 2.74000 0.00000 0.00000 0.00000 0.06000 0.60000 0.00000 -1.12000 0.00000 -3.49000 0.00000 2.38000 65.00000 NBP2_1SEM-9_9.PDB 1.09146 -12.23000 -2.68000 -2.75000 -8.56000 -4.87000 9.91000 -10.06000 0.24000 7.59000 3.22000 0.00000 0.00000 0.00000 0.07000 0.67000 0.00000 -0.64000 0.00000 -3.70000 0.00000 2.38000 65.00000 NBP2_1SEM-9_10.PDB 1.39213 -12.52000 -2.63000 -2.78000 -8.61000 -6.41000 11.36000 -9.30000 0.13000 7.77000 3.26000 0.00000 0.00000 0.00000 0.08000 0.65000 0.00000 -0.70000 0.00000 -4.68000 0.00000 2.38000 65.00000 NBP2_1SEM-9_11.PDB 1.77352 -14.58000 -3.73000 -5.70000 -9.00000 -4.34000 10.87000 -10.40000 2.08000 7.57000 2.37000 0.00000 0.00000 0.00000 0.09000 0.68000 0.00000 -0.80000 0.00000 -3.60000 0.00000 2.38000 65.00000 NBP2_1SEM-9_12.PDB 1.17213 -11.28000 -3.56000 -4.43000 -8.08000 -2.88000 9.22000 -9.78000 0.04000 8.01000 3.35000 0.00000 0.00000 0.00000 0.06000 0.80000 0.00000 -0.41000 0.00000 -2.82000 0.00000 2.38000 65.00000 NBP2_1SEM-9_13.PDB 1.32012 -13.21000 -3.65000 -3.96000 -8.28000 -3.74000 9.33000 -9.70000 0.17000 7.95000 3.14000 0.00000 0.00000 0.00000 0.06000 0.68000 0.00000 -0.80000 0.00000 -3.72000 0.00000 2.38000 65.00000 NBP2_1SEM-9_14.PDB 1.24139 -13.94000 -3.63000 -4.01000 -8.44000 -3.59000 9.33000 -9.92000 0.37000 7.66000 2.81000 0.00000 0.00000 0.00000 0.07000 0.71000 0.00000 -1.36000 0.00000 -3.24000 0.00000 2.38000 65.00000 NBP2_1SEM-9_15.PDB 1.17369 -13.95000 -4.65000 -5.46000 -8.34000 -4.75000 11.39000 -9.44000 1.05000 7.55000 2.91000 0.00000 0.00000 0.00000 0.05000 0.67000 0.00000 -0.44000 0.00000 -3.84000 0.00000 2.38000 65.00000 NBP2_1SEM-9_16.PDB 1.85441 -14.50000 -4.62000 -5.30000 -8.66000 -5.36000 12.22000 -9.24000 1.10000 7.89000 2.42000 0.00000 0.00000 0.00000 0.05000 0.66000 0.00000 -0.65000 0.00000 -4.36000 0.00000 2.38000 65.00000 NBP2_1SEM-9_17.PDB 1.66173 -13.73000 -3.94000 -5.14000 -8.52000 -4.60000 10.85000 -9.72000 1.48000 7.57000 2.73000 0.00000 0.00000 0.00000 0.08000 0.65000 0.00000 -0.64000 0.00000 -3.89000 0.00000 2.38000 65.00000 NBP2_1SEM-9_18.PDB 2.61940 -13.46000 -3.75000 -4.90000 -8.35000 -4.66000 10.97000 -9.34000 0.18000 7.59000 2.41000 0.00000 0.00000 0.00000 0.44000 0.69000 0.00000 -0.23000 0.00000 -3.81000 0.00000 2.38000 65.00000 NBP2_1SEM-9_19.PDB 1.83659 -11.13000 -2.58000 -2.62000 -7.61000 -3.15000 8.72000 -9.03000 0.09000 6.05000 2.43000 0.00000 0.00000 0.00000 0.03000 0.43000 0.00000 -0.41000 0.00000 -3.04000 0.00000 2.38000 65.00000 NBP2_1SEM-9_20.PDB 1.24673 -13.10000 -3.64000 -3.99000 -8.58000 -3.09000 9.68000 -10.00000 0.18000 7.61000 2.72000 0.00000 0.00000 0.00000 0.06000 0.61000 0.00000 -0.98000 0.00000 -3.05000 0.00000 2.38000 65.00000 NBP2_1SEM-9_21.PDB 1.92386 -14.14000 -4.77000 -5.53000 -8.97000 -4.95000 12.28000 -10.04000 0.98000 7.91000 3.24000 0.00000 0.00000 0.00000 0.11000 0.83000 0.00000 -0.47000 0.00000 -3.93000 0.00000 2.38000 65.00000 NBP2_1SEM-9_22.PDB 1.68846 -12.77000 -3.68000 -4.20000 -8.56000 -3.54000 9.76000 -9.98000 0.16000 8.03000 3.52000 0.00000 0.00000 0.00000 0.09000 0.80000 0.00000 -1.03000 0.00000 -3.35000 0.00000 2.38000 65.00000 NBP2_1SEM-9_23.PDB 1.35653 -14.45000 -4.71000 -5.39000 -8.93000 -4.73000 11.88000 -10.08000 1.17000 8.02000 2.66000 0.00000 0.00000 0.00000 0.09000 0.93000 0.00000 -0.52000 0.00000 -3.91000 0.00000 2.38000 65.00000 NBP2_1SEM-9_24.PDB 2.01993 -13.14000 -3.87000 -5.35000 -8.94000 -5.70000 12.42000 -9.51000 2.00000 8.44000 2.79000 0.00000 0.00000 0.00000 0.16000 0.84000 0.00000 -0.93000 0.00000 -4.65000 0.00000 2.38000 65.00000 NBP2_1SEM-9_25.PDB 1.17781 -13.79000 -4.61000 -5.36000 -9.15000 -4.69000 12.62000 -10.20000 1.08000 7.85000 2.68000 0.00000 0.00000 0.00000 0.09000 0.82000 0.00000 -0.42000 0.00000 -3.68000 0.00000 2.38000 65.00000 NBP2_1SEM-9_26.PDB 2.24379 -14.77000 -4.74000 -4.60000 -8.88000 -4.81000 11.50000 -9.53000 0.32000 7.75000 2.67000 0.00000 0.00000 0.00000 0.10000 0.69000 0.00000 -0.60000 0.00000 -3.96000 0.00000 2.38000 65.00000 NBP2_1SEM-9_27.PDB 1.96404 -10.85000 -3.01000 -3.71000 -7.66000 -3.23000 8.99000 -9.01000 0.14000 7.27000 3.47000 0.00000 0.00000 0.00000 0.03000 0.58000 0.00000 -0.83000 0.00000 -3.32000 0.00000 2.38000 65.00000 NBP2_1SEM-9_28.PDB 1.19964 -13.85000 -4.39000 -4.44000 -8.51000 -3.94000 10.47000 -9.75000 0.06000 7.71000 3.20000 0.00000 0.00000 0.00000 0.03000 0.74000 0.00000 -0.64000 0.00000 -3.64000 0.00000 2.38000 65.00000 NBP2_1SEM-9_29.PDB 1.51537 -15.20000 -4.78000 -5.47000 -9.05000 -5.01000 11.99000 -10.15000 1.30000 7.61000 2.59000 0.00000 0.00000 0.00000 0.06000 0.73000 0.00000 -0.49000 0.00000 -3.80000 0.00000 2.38000 65.00000 NBP2_1SEM-9_30.PDB 1.33435 -12.18000 -2.88000 -3.03000 -8.63000 -5.83000 11.48000 -9.24000 0.08000 7.60000 3.30000 0.00000 0.00000 0.00000 0.05000 0.67000 0.00000 -0.82000 0.00000 -4.28000 0.00000 2.38000 65.00000