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_1GCQ-12_1.PDB 2.38600 -9.24000 -2.04000 -2.09000 -6.86000 -2.10000 7.07000 -8.63000 0.08000 4.52000 2.63000 0.00000 0.00000 0.00000 0.07000 1.02000 0.00000 -0.18000 0.00000 -1.71000 0.00000 2.38000 65.00000 NBP2_1GCQ-12_2.PDB 1.99986 -9.21000 -2.00000 -2.06000 -6.70000 -1.77000 6.46000 -8.55000 0.13000 4.09000 2.63000 0.00000 0.00000 0.00000 0.06000 1.03000 0.00000 -0.17000 0.00000 -1.32000 0.00000 2.38000 65.00000 NBP2_1GCQ-12_3.PDB 1.87182 -9.33000 -2.06000 -2.14000 -6.80000 -1.78000 6.87000 -8.60000 0.07000 4.10000 2.43000 0.00000 0.00000 0.00000 0.06000 1.04000 0.00000 -0.15000 0.00000 -1.32000 0.00000 2.38000 65.00000 NBP2_1GCQ-12_4.PDB 2.13672 -9.14000 -2.14000 -2.23000 -6.66000 -1.89000 6.95000 -8.36000 0.08000 4.35000 2.36000 0.00000 0.00000 0.00000 0.05000 1.04000 0.00000 -0.21000 0.00000 -1.45000 0.00000 2.38000 65.00000 NBP2_1GCQ-12_5.PDB 2.21900 -8.52000 -2.07000 -2.17000 -6.35000 -1.74000 6.52000 -7.95000 0.19000 3.98000 2.42000 0.00000 0.00000 0.00000 0.05000 0.95000 0.00000 -0.19000 0.00000 -1.21000 0.00000 2.38000 65.00000 NBP2_1GCQ-12_6.PDB 1.76864 -8.91000 -2.07000 -2.18000 -6.55000 -1.71000 6.84000 -8.23000 0.06000 4.06000 2.26000 0.00000 0.00000 0.00000 0.03000 1.01000 0.00000 -0.19000 0.00000 -1.22000 0.00000 2.38000 65.00000 NBP2_1GCQ-12_7.PDB 2.12788 -9.02000 -2.09000 -2.16000 -6.65000 -1.64000 6.61000 -8.52000 0.08000 4.35000 2.50000 0.00000 0.00000 0.00000 0.04000 0.97000 0.00000 -0.13000 0.00000 -1.41000 0.00000 2.38000 65.00000 NBP2_1GCQ-12_8.PDB 1.84949 -9.36000 -1.93000 -1.96000 -6.63000 -2.07000 6.84000 -8.39000 0.08000 4.17000 2.30000 0.00000 0.00000 0.00000 0.05000 0.89000 0.00000 -0.19000 0.00000 -1.64000 0.00000 2.38000 65.00000 NBP2_1GCQ-12_9.PDB 1.94131 -9.00000 -2.06000 -2.17000 -6.64000 -1.78000 6.86000 -8.35000 0.09000 4.10000 2.38000 0.00000 0.00000 0.00000 0.05000 0.97000 0.00000 -0.18000 0.00000 -1.29000 0.00000 2.38000 65.00000 NBP2_1GCQ-12_10.PDB 2.14100 -9.10000 -2.06000 -2.13000 -6.65000 -1.77000 6.77000 -8.42000 0.14000 4.04000 2.39000 0.00000 0.00000 0.00000 0.05000 1.03000 0.00000 -0.17000 0.00000 -1.30000 0.00000 2.38000 65.00000 NBP2_1GCQ-12_11.PDB 1.75696 -9.12000 -2.12000 -2.19000 -6.28000 -1.54000 6.40000 -8.00000 0.08000 3.73000 2.16000 0.00000 0.00000 0.00000 0.05000 0.80000 0.00000 -0.16000 0.00000 -1.26000 0.00000 2.38000 65.00000 NBP2_1GCQ-12_12.PDB 2.48479 -9.05000 -2.04000 -2.21000 -6.35000 -2.13000 6.66000 -7.92000 0.98000 3.89000 1.93000 0.00000 0.00000 0.00000 0.03000 0.83000 0.00000 -0.37000 0.00000 -1.52000 0.00000 2.38000 65.00000 NBP2_1GCQ-12_13.PDB 2.14301 -9.71000 -2.15000 -2.25000 -6.48000 -2.04000 6.75000 -8.17000 0.09000 4.10000 2.26000 0.00000 0.00000 0.00000 0.05000 0.87000 0.00000 -0.19000 0.00000 -1.69000 0.00000 2.38000 65.00000 NBP2_1GCQ-12_14.PDB 1.68564 -7.86000 -2.02000 -2.09000 -6.15000 -1.47000 6.65000 -7.67000 0.08000 3.74000 2.29000 0.00000 0.00000 0.00000 0.05000 0.78000 0.00000 -0.18000 0.00000 -1.07000 0.00000 2.38000 65.00000 NBP2_1GCQ-12_15.PDB 1.69019 -8.93000 -2.09000 -2.19000 -6.30000 -1.68000 6.78000 -7.85000 0.05000 3.68000 2.01000 0.00000 0.00000 0.00000 0.05000 0.80000 0.00000 -0.18000 0.00000 -1.21000 0.00000 2.38000 65.00000 NBP2_1GCQ-12_16.PDB 2.02047 -9.36000 -2.04000 -2.10000 -6.92000 -1.96000 7.03000 -8.76000 0.06000 4.43000 2.55000 0.00000 0.00000 0.00000 0.06000 1.06000 0.00000 -0.18000 0.00000 -1.54000 0.00000 2.38000 65.00000 NBP2_1GCQ-12_17.PDB 1.89948 -9.43000 -2.03000 -2.10000 -6.46000 -1.94000 6.50000 -8.13000 0.05000 3.93000 2.43000 0.00000 0.00000 0.00000 0.06000 0.92000 0.00000 -0.18000 0.00000 -1.56000 0.00000 2.38000 65.00000 NBP2_1GCQ-12_18.PDB 1.78045 -8.13000 -2.04000 -2.12000 -5.61000 -1.65000 6.19000 -6.96000 0.06000 3.40000 1.79000 0.00000 0.00000 0.00000 0.06000 0.67000 0.00000 -0.07000 0.00000 -1.19000 0.00000 2.38000 65.00000 NBP2_1GCQ-12_19.PDB 2.57721 -7.83000 -1.23000 -1.26000 -6.50000 -1.94000 6.47000 -8.16000 0.11000 4.09000 2.18000 0.00000 0.00000 0.00000 0.08000 0.74000 0.00000 -0.11000 0.00000 -1.55000 0.00000 2.38000 65.00000 NBP2_1GCQ-12_20.PDB 2.25097 -9.05000 -2.08000 -2.16000 -6.56000 -1.86000 6.54000 -8.30000 0.10000 4.18000 2.64000 0.00000 0.00000 0.00000 0.04000 0.93000 0.00000 -0.21000 0.00000 -1.39000 0.00000 2.38000 65.00000 NBP2_1GCQ-12_21.PDB 2.33262 -9.07000 -2.11000 -2.21000 -6.43000 -1.82000 6.35000 -8.12000 0.19000 4.08000 2.53000 0.00000 0.00000 0.00000 0.05000 0.97000 0.00000 -0.18000 0.00000 -1.41000 0.00000 2.38000 65.00000 NBP2_1GCQ-12_22.PDB 1.88713 -7.67000 -2.00000 -2.12000 -5.40000 -1.46000 5.89000 -6.66000 0.07000 3.18000 1.90000 0.00000 0.00000 0.00000 0.05000 0.62000 0.00000 -0.15000 0.00000 -0.97000 0.00000 2.38000 65.00000 NBP2_1GCQ-12_23.PDB 1.75718 -9.40000 -2.06000 -2.13000 -6.75000 -1.70000 6.76000 -8.62000 0.05000 4.07000 2.43000 0.00000 0.00000 0.00000 0.05000 1.01000 0.00000 -0.18000 0.00000 -1.31000 0.00000 2.38000 65.00000 NBP2_1GCQ-12_24.PDB 1.86160 -8.15000 -1.99000 -2.07000 -5.73000 -1.56000 6.16000 -7.24000 0.11000 3.54000 1.90000 0.00000 0.00000 0.00000 0.03000 0.58000 0.00000 -0.07000 0.00000 -1.24000 0.00000 2.38000 65.00000 NBP2_1GCQ-12_25.PDB 1.62782 -9.34000 -2.03000 -2.11000 -6.54000 -1.75000 6.71000 -8.26000 0.16000 3.71000 2.21000 0.00000 0.00000 0.00000 0.05000 0.85000 0.00000 -0.18000 0.00000 -1.29000 0.00000 2.38000 65.00000 NBP2_1GCQ-12_26.PDB 2.00695 -7.98000 -2.01000 -2.09000 -5.65000 -1.72000 6.32000 -6.98000 0.15000 3.44000 1.89000 0.00000 0.00000 0.00000 0.06000 0.64000 0.00000 -0.09000 0.00000 -1.29000 0.00000 2.38000 65.00000 NBP2_1GCQ-12_27.PDB 2.16760 -8.78000 -2.07000 -2.14000 -6.38000 -1.95000 6.80000 -7.89000 0.08000 4.24000 2.14000 0.00000 0.00000 0.00000 0.05000 0.90000 0.00000 -0.17000 0.00000 -1.50000 0.00000 2.38000 65.00000 NBP2_1GCQ-12_28.PDB 1.89234 -8.53000 -2.03000 -2.12000 -6.24000 -1.58000 6.72000 -7.76000 0.10000 3.65000 2.02000 0.00000 0.00000 0.00000 0.04000 0.88000 0.00000 -0.17000 0.00000 -1.18000 0.00000 2.38000 65.00000 NBP2_1GCQ-12_29.PDB 2.03160 -7.55000 -1.98000 -2.06000 -5.51000 -1.72000 6.36000 -6.74000 0.11000 3.50000 1.73000 0.00000 0.00000 0.00000 0.05000 0.59000 0.00000 -0.07000 0.00000 -1.22000 0.00000 2.38000 65.00000 NBP2_1GCQ-12_30.PDB 2.15678 -8.26000 -2.05000 -2.13000 -5.66000 -1.72000 6.27000 -7.00000 0.12000 3.33000 1.80000 0.00000 0.00000 0.00000 0.06000 0.64000 0.00000 -0.07000 0.00000 -1.21000 0.00000 2.38000 65.00000