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-11_1.PDB 2.58777 -12.25000 -5.03000 -4.98000 -8.52000 -5.61000 14.18000 -8.08000 0.16000 8.21000 3.02000 0.00000 0.00000 0.00000 0.30000 0.83000 0.00000 -1.10000 0.00000 -4.80000 0.00000 2.38000 64.00000 NBP2_1SEM-11_2.PDB 2.14379 -8.92000 -3.34000 -5.07000 -8.30000 -4.99000 13.49000 -8.25000 0.42000 8.20000 3.48000 0.00000 0.00000 0.00000 0.28000 1.04000 0.00000 -0.97000 0.00000 -3.87000 0.00000 2.38000 64.00000 NBP2_1SEM-11_3.PDB 2.01965 -9.53000 -2.60000 -2.59000 -8.61000 -5.37000 11.84000 -9.20000 0.24000 7.72000 3.53000 0.00000 0.00000 0.00000 0.06000 0.98000 0.00000 -0.58000 0.00000 -3.97000 0.00000 2.38000 64.00000 NBP2_1SEM-11_4.PDB 1.95347 -9.37000 -2.62000 -3.98000 -7.63000 -4.38000 11.29000 -7.89000 0.29000 7.36000 3.15000 0.00000 0.00000 0.00000 0.17000 0.58000 0.00000 -0.97000 0.00000 -4.16000 0.00000 2.38000 64.00000 NBP2_1SEM-11_5.PDB 2.30511 -12.74000 -5.24000 -5.08000 -8.09000 -4.88000 13.49000 -7.89000 0.20000 7.21000 3.25000 0.00000 0.00000 0.00000 0.22000 0.66000 0.00000 -1.66000 0.00000 -4.27000 0.00000 2.38000 64.00000 NBP2_1SEM-11_6.PDB 2.11357 -7.70000 -3.26000 -4.88000 -8.32000 -5.49000 13.21000 -8.35000 2.46000 8.03000 3.45000 0.00000 0.00000 0.00000 0.26000 0.65000 0.00000 -0.62000 0.00000 -4.19000 0.00000 2.38000 64.00000 NBP2_1SEM-11_7.PDB 2.59042 -9.99000 -4.92000 -5.82000 -8.45000 -4.39000 13.12000 -8.92000 2.29000 8.75000 3.29000 0.00000 0.00000 0.00000 0.15000 0.95000 0.00000 -1.12000 0.00000 -3.97000 0.00000 2.38000 64.00000 NBP2_1SEM-11_8.PDB 2.02697 -9.24000 -3.47000 -3.52000 -8.43000 -5.52000 13.59000 -8.47000 0.10000 7.45000 3.66000 0.00000 0.00000 0.00000 0.18000 0.67000 0.00000 -0.70000 0.00000 -4.10000 0.00000 2.38000 64.00000 NBP2_1SEM-11_9.PDB 2.49397 -9.64000 -3.16000 -6.17000 -7.70000 -3.96000 11.31000 -8.45000 1.82000 7.51000 3.32000 0.00000 0.00000 0.00000 0.29000 0.71000 0.00000 -1.28000 0.00000 -3.17000 0.00000 2.38000 64.00000 NBP2_1SEM-11_10.PDB 2.32920 -8.31000 -3.37000 -4.96000 -7.52000 -4.04000 12.21000 -7.65000 0.88000 7.23000 3.10000 0.00000 0.00000 0.00000 0.13000 0.67000 0.00000 -0.69000 0.00000 -3.63000 0.00000 2.38000 64.00000 NBP2_1SEM-11_11.PDB 2.38095 -10.44000 -5.14000 -5.11000 -8.59000 -6.02000 14.50000 -8.26000 2.23000 8.22000 3.04000 0.00000 0.00000 0.00000 0.26000 0.72000 0.00000 -0.72000 0.00000 -4.86000 0.00000 2.38000 64.00000 NBP2_1SEM-11_12.PDB 1.74198 -11.62000 -4.31000 -5.02000 -8.54000 -5.49000 12.57000 -9.11000 2.31000 7.56000 3.41000 0.00000 0.00000 0.00000 0.10000 0.85000 0.00000 -0.61000 0.00000 -4.49000 0.00000 2.38000 64.00000 NBP2_1SEM-11_13.PDB 1.65871 -10.61000 -4.13000 -4.19000 -7.73000 -3.77000 10.39000 -8.65000 0.33000 7.70000 3.64000 0.00000 0.00000 0.00000 0.06000 0.91000 0.00000 -0.54000 0.00000 -3.74000 0.00000 2.38000 64.00000 NBP2_1SEM-11_14.PDB 2.18448 -12.54000 -4.35000 -4.20000 -8.02000 -4.21000 10.86000 -8.69000 0.11000 7.29000 3.22000 0.00000 0.00000 0.00000 0.07000 0.76000 0.00000 -0.87000 0.00000 -3.75000 0.00000 2.38000 64.00000 NBP2_1SEM-11_15.PDB 1.95884 -10.57000 -3.48000 -4.87000 -7.63000 -2.88000 10.17000 -8.45000 0.32000 6.41000 3.14000 0.00000 0.00000 0.00000 0.36000 1.00000 0.00000 -1.13000 0.00000 -2.52000 0.00000 2.38000 64.00000 NBP2_1SEM-11_16.PDB 2.48164 -11.54000 -4.27000 -4.98000 -8.28000 -4.65000 12.46000 -8.48000 0.48000 7.26000 3.51000 0.00000 0.00000 0.00000 0.24000 1.08000 0.00000 -0.89000 0.00000 -3.94000 0.00000 2.38000 64.00000 NBP2_1SEM-11_17.PDB 1.94641 -11.21000 -5.25000 -5.21000 -8.77000 -5.29000 13.71000 -8.87000 2.31000 8.10000 3.13000 0.00000 0.00000 0.00000 0.18000 0.95000 0.00000 -0.74000 0.00000 -4.52000 0.00000 2.38000 64.00000 NBP2_1SEM-11_18.PDB 2.10072 -8.21000 -3.43000 -3.47000 -8.16000 -5.34000 13.32000 -8.16000 0.25000 7.28000 3.50000 0.00000 0.00000 0.00000 0.22000 0.72000 0.00000 -0.23000 0.00000 -3.97000 0.00000 2.38000 64.00000 NBP2_1SEM-11_19.PDB 2.40337 -11.29000 -5.14000 -5.10000 -8.60000 -4.99000 13.39000 -8.86000 2.35000 7.97000 3.04000 0.00000 0.00000 0.00000 0.09000 0.88000 0.00000 -1.14000 0.00000 -4.32000 0.00000 2.38000 64.00000 NBP2_1SEM-11_20.PDB 2.66132 -10.48000 -2.65000 -4.10000 -7.29000 -2.53000 8.00000 -8.95000 0.21000 6.49000 3.22000 0.00000 0.00000 0.00000 0.08000 0.96000 0.00000 -0.55000 0.00000 -2.40000 0.00000 2.38000 64.00000 NBP2_1SEM-11_21.PDB 1.36123 -9.22000 -4.03000 -4.16000 -6.98000 -3.55000 9.58000 -7.56000 1.44000 7.30000 3.05000 0.00000 0.00000 0.00000 0.06000 0.71000 0.00000 -0.72000 0.00000 -3.66000 0.00000 2.38000 64.00000 NBP2_1SEM-11_22.PDB 2.03338 -10.67000 -3.47000 -5.09000 -7.52000 -3.05000 10.55000 -8.28000 0.19000 6.31000 3.23000 0.00000 0.00000 0.00000 0.16000 0.75000 0.00000 -1.04000 0.00000 -2.66000 0.00000 2.38000 64.00000 NBP2_1SEM-11_23.PDB 2.77186 -13.13000 -5.15000 -5.81000 -8.57000 -5.39000 13.70000 -8.44000 0.50000 8.49000 2.97000 0.00000 0.00000 0.00000 0.23000 1.13000 0.00000 -1.35000 0.00000 -4.30000 0.00000 2.38000 64.00000 NBP2_1SEM-11_24.PDB 2.96334 -11.75000 -5.23000 -5.09000 -8.17000 -4.67000 12.60000 -8.37000 1.45000 7.27000 3.20000 0.00000 0.00000 0.00000 0.33000 0.97000 0.00000 -1.24000 0.00000 -3.85000 0.00000 2.38000 64.00000 NBP2_1SEM-11_25.PDB 2.19556 -9.80000 -3.25000 -4.93000 -7.29000 -3.05000 10.35000 -8.12000 0.13000 6.07000 3.46000 0.00000 0.00000 0.00000 0.18000 0.64000 0.00000 -0.67000 0.00000 -2.69000 0.00000 2.38000 64.00000 NBP2_1SEM-11_26.PDB 2.28579 -8.86000 -1.78000 -4.62000 -7.05000 -2.94000 9.00000 -8.03000 0.24000 6.74000 3.06000 0.00000 0.00000 0.00000 0.19000 0.58000 0.00000 -0.96000 0.00000 -2.70000 0.00000 2.38000 64.00000 NBP2_1SEM-11_27.PDB 2.21342 -7.39000 -3.30000 -3.31000 -6.82000 -2.11000 8.91000 -8.03000 2.32000 5.59000 2.71000 0.00000 0.00000 0.00000 0.15000 0.99000 0.00000 -1.41000 0.00000 -2.07000 0.00000 2.38000 64.00000 NBP2_1SEM-11_28.PDB 1.45348 -9.85000 -2.56000 -4.34000 -7.80000 -4.82000 10.49000 -8.30000 1.01000 7.78000 2.95000 0.00000 0.00000 0.00000 0.04000 0.63000 0.00000 -0.61000 0.00000 -3.69000 0.00000 2.38000 64.00000 NBP2_1SEM-11_29.PDB 1.97569 -9.27000 -3.44000 -4.08000 -7.14000 -2.98000 9.99000 -8.03000 0.22000 6.27000 3.10000 0.00000 0.00000 0.00000 0.13000 0.78000 0.00000 -0.60000 0.00000 -2.69000 0.00000 2.38000 64.00000 NBP2_1SEM-11_30.PDB 2.04753 -10.22000 -3.31000 -5.00000 -7.51000 -3.13000 10.79000 -8.29000 0.38000 6.48000 3.21000 0.00000 0.00000 0.00000 0.14000 0.78000 0.00000 -1.31000 0.00000 -2.67000 0.00000 2.38000 64.00000