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-23_1.PDB 2.06172 -6.62000 -0.45000 -0.46000 -4.47000 -2.75000 4.37000 -5.57000 0.03000 3.78000 2.17000 0.00000 0.00000 0.00000 0.07000 0.26000 0.00000 0.01000 0.00000 -3.35000 0.00000 2.38000 64.00000 NBP2_1SEM-23_2.PDB 2.03958 -10.46000 -1.48000 -2.35000 -5.37000 -4.06000 6.17000 -5.83000 0.17000 5.20000 1.88000 0.00000 0.00000 0.00000 0.08000 0.13000 0.00000 -0.90000 0.00000 -3.96000 0.00000 2.38000 64.00000 NBP2_1SEM-23_3.PDB 1.96817 -8.34000 -0.60000 -1.11000 -4.77000 -2.42000 4.20000 -6.08000 0.15000 3.32000 1.96000 0.00000 0.00000 0.00000 0.06000 0.10000 0.00000 -0.14000 0.00000 -2.91000 0.00000 2.38000 64.00000 NBP2_1SEM-23_4.PDB 1.58079 -10.30000 -0.60000 -2.78000 -4.74000 -3.62000 6.02000 -5.62000 0.08000 4.16000 1.56000 0.00000 0.00000 0.00000 0.13000 0.08000 0.00000 -0.76000 0.00000 -4.12000 0.00000 2.38000 64.00000 NBP2_1SEM-23_5.PDB 2.65019 -10.15000 -2.23000 -3.03000 -5.45000 -3.82000 6.30000 -6.06000 1.58000 5.06000 2.08000 0.00000 0.00000 0.00000 0.09000 0.17000 0.00000 -0.42000 0.00000 -4.25000 0.00000 2.38000 64.00000 NBP2_1SEM-23_6.PDB 1.34268 -8.01000 -0.53000 -0.74000 -4.61000 -2.49000 4.00000 -5.83000 0.04000 3.27000 1.67000 0.00000 0.00000 0.00000 0.09000 0.12000 0.00000 -0.11000 0.00000 -2.76000 0.00000 2.38000 64.00000 NBP2_1SEM-23_7.PDB 2.33885 -7.82000 -0.60000 -1.51000 -4.92000 -2.42000 4.40000 -6.11000 0.41000 3.83000 2.00000 0.00000 0.00000 0.00000 0.07000 0.25000 0.00000 -0.32000 0.00000 -2.64000 0.00000 2.38000 64.00000 NBP2_1SEM-23_8.PDB 2.57469 -9.61000 -2.22000 -2.29000 -5.27000 -3.98000 6.15000 -6.02000 0.21000 5.45000 2.55000 0.00000 0.00000 0.00000 0.14000 0.19000 0.00000 -0.28000 0.00000 -4.04000 0.00000 2.38000 64.00000 NBP2_1SEM-23_9.PDB 2.42779 -10.14000 -1.43000 -2.24000 -5.63000 -3.31000 5.77000 -6.38000 0.22000 4.92000 1.85000 0.00000 0.00000 0.00000 0.11000 0.21000 0.00000 -0.77000 0.00000 -3.25000 0.00000 2.38000 64.00000 NBP2_1SEM-23_10.PDB 2.04986 -8.54000 -0.55000 -0.99000 -4.89000 -2.57000 4.26000 -6.19000 0.16000 3.62000 1.80000 0.00000 0.00000 0.00000 0.06000 0.12000 0.00000 -0.28000 0.00000 -2.95000 0.00000 2.38000 64.00000 NBP2_1SEM-23_11.PDB 1.59549 -9.23000 -1.36000 -1.90000 -4.93000 -3.54000 4.95000 -6.23000 0.05000 5.78000 2.17000 0.00000 0.00000 0.00000 0.11000 0.25000 0.00000 -0.44000 0.00000 -3.89000 0.00000 2.38000 64.00000 NBP2_1SEM-23_12.PDB 2.06696 -10.25000 -1.46000 -2.98000 -5.29000 -3.32000 5.89000 -6.61000 0.13000 5.49000 1.77000 0.00000 0.00000 0.00000 0.07000 0.18000 0.00000 -0.40000 0.00000 -3.56000 0.00000 2.38000 64.00000 NBP2_1SEM-23_13.PDB 1.96786 -8.36000 -0.38000 -1.24000 -5.42000 -2.37000 4.76000 -6.88000 0.12000 3.96000 1.96000 0.00000 0.00000 0.00000 0.07000 0.10000 0.00000 -0.22000 0.00000 -2.73000 0.00000 2.38000 64.00000 NBP2_1SEM-23_14.PDB 1.45355 -10.20000 -0.60000 -2.28000 -5.52000 -2.85000 5.19000 -6.70000 0.10000 3.85000 1.67000 0.00000 0.00000 0.00000 0.13000 0.11000 0.00000 -0.37000 0.00000 -2.81000 0.00000 2.38000 64.00000 NBP2_1SEM-23_15.PDB 1.93228 -8.05000 -0.60000 -1.46000 -5.32000 -2.40000 4.82000 -6.58000 0.23000 4.13000 2.25000 0.00000 0.00000 0.00000 0.06000 0.17000 0.00000 -0.50000 0.00000 -2.68000 0.00000 2.38000 64.00000 NBP2_1SEM-23_16.PDB 1.33013 -8.08000 -0.52000 -1.27000 -4.66000 -2.11000 3.99000 -5.87000 0.06000 3.41000 1.60000 0.00000 0.00000 0.00000 0.06000 0.15000 0.00000 -0.25000 0.00000 -2.53000 0.00000 2.38000 64.00000 NBP2_1SEM-23_17.PDB 2.02866 -6.76000 -0.61000 -0.61000 -4.33000 -2.36000 4.20000 -5.85000 0.09000 3.55000 1.82000 0.00000 0.00000 0.00000 0.09000 0.17000 0.00000 -0.09000 0.00000 -2.65000 0.00000 2.38000 64.00000 NBP2_1SEM-23_18.PDB 1.94079 -7.81000 -1.42000 -2.23000 -4.62000 -2.93000 5.35000 -6.31000 0.20000 5.45000 2.49000 0.00000 0.00000 0.00000 0.05000 0.17000 0.00000 -0.59000 0.00000 -3.26000 0.00000 2.38000 64.00000 NBP2_1SEM-23_19.PDB 1.29777 -7.40000 -0.61000 -2.05000 -4.63000 -2.39000 4.10000 -6.55000 0.11000 5.28000 2.14000 0.00000 0.00000 0.00000 0.06000 0.24000 0.00000 0.05000 0.00000 -2.90000 0.00000 2.38000 64.00000 NBP2_1SEM-23_20.PDB 1.85332 -7.71000 -0.24000 -0.59000 -4.25000 -2.46000 4.09000 -5.48000 0.24000 3.00000 1.11000 0.00000 0.00000 0.00000 0.05000 0.11000 0.00000 -0.40000 0.00000 -2.78000 0.00000 2.38000 64.00000 NBP2_1SEM-23_21.PDB 1.59660 -6.40000 -0.60000 -0.60000 -4.38000 -1.74000 3.83000 -6.11000 0.16000 3.12000 2.12000 0.00000 0.00000 0.00000 0.08000 0.08000 0.00000 -0.19000 0.00000 -2.07000 0.00000 2.38000 64.00000 NBP2_1SEM-23_22.PDB 1.40767 -8.44000 -0.60000 -1.45000 -4.82000 -2.15000 4.42000 -6.44000 0.04000 3.64000 1.75000 0.00000 0.00000 0.00000 0.10000 0.13000 0.00000 -0.41000 0.00000 -2.52000 0.00000 2.38000 64.00000 NBP2_1SEM-23_23.PDB 1.82779 -6.82000 -1.22000 -2.06000 -4.64000 -2.67000 5.29000 -6.10000 0.10000 5.18000 2.60000 0.00000 0.00000 0.00000 0.08000 0.18000 0.00000 -0.50000 0.00000 -2.87000 0.00000 2.38000 64.00000 NBP2_1SEM-23_24.PDB 2.12526 -7.77000 -0.47000 -1.24000 -4.62000 -2.33000 4.29000 -5.96000 0.10000 3.41000 1.73000 0.00000 0.00000 0.00000 0.06000 0.13000 0.00000 -0.23000 0.00000 -2.51000 0.00000 2.38000 64.00000 NBP2_1SEM-23_25.PDB 1.57900 -8.79000 -2.34000 -2.36000 -6.10000 -3.65000 7.61000 -7.46000 0.25000 6.14000 2.57000 0.00000 0.00000 0.00000 0.07000 0.52000 0.00000 -0.39000 0.00000 -3.12000 0.00000 2.38000 64.00000 NBP2_1SEM-23_26.PDB 1.14179 -7.05000 -0.60000 -0.59000 -4.35000 -1.84000 3.64000 -6.16000 0.06000 3.29000 1.86000 0.00000 0.00000 0.00000 0.05000 0.18000 0.00000 -0.08000 0.00000 -2.33000 0.00000 2.38000 64.00000 NBP2_1SEM-23_27.PDB 1.26024 -6.82000 -0.60000 -0.62000 -4.42000 -2.09000 4.04000 -6.33000 0.08000 3.68000 1.97000 0.00000 0.00000 0.00000 0.05000 0.12000 0.00000 -0.07000 0.00000 -2.52000 0.00000 2.38000 64.00000 NBP2_1SEM-23_28.PDB 1.76512 -5.89000 -0.51000 -0.51000 -4.72000 -1.91000 4.38000 -6.55000 0.21000 3.65000 2.33000 0.00000 0.00000 0.00000 0.05000 0.16000 0.00000 0.03000 0.00000 -2.34000 0.00000 2.38000 64.00000 NBP2_1SEM-23_29.PDB 2.18928 -10.78000 -4.02000 -4.07000 -7.41000 -4.79000 9.51000 -8.37000 2.22000 7.76000 2.62000 0.00000 0.00000 0.00000 0.18000 0.69000 0.00000 -0.38000 0.00000 -4.02000 0.00000 2.38000 64.00000 NBP2_1SEM-23_30.PDB 1.61196 -6.76000 -1.15000 -1.15000 -4.11000 -3.47000 4.70000 -4.83000 0.09000 4.73000 2.29000 0.00000 0.00000 0.00000 0.04000 0.13000 0.00000 -0.10000 0.00000 -3.80000 0.00000 2.38000 64.00000