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-25_1.PDB 1.39616 -11.66000 -2.78000 -4.37000 -8.29000 -3.81000 10.28000 -9.96000 1.24000 6.86000 2.26000 0.00000 0.00000 0.00000 0.05000 0.84000 0.00000 -0.31000 0.00000 -2.84000 0.00000 2.38000 66.00000 NBP2_1GCQ-25_2.PDB 1.83448 -10.27000 -2.80000 -5.10000 -8.19000 -3.48000 10.47000 -9.88000 1.39000 7.56000 2.82000 0.00000 0.00000 0.00000 0.03000 0.81000 0.00000 -0.51000 0.00000 -2.56000 0.00000 2.38000 66.00000 NBP2_1GCQ-25_3.PDB 1.43936 -12.13000 -2.83000 -4.24000 -8.61000 -4.49000 11.10000 -10.14000 1.74000 7.14000 2.25000 0.00000 0.00000 0.00000 0.05000 0.82000 0.00000 -0.74000 0.00000 -3.36000 0.00000 2.38000 66.00000 NBP2_1GCQ-25_4.PDB 1.58296 -11.64000 -2.79000 -4.31000 -8.52000 -3.96000 10.80000 -10.18000 1.59000 7.09000 2.39000 0.00000 0.00000 0.00000 0.04000 0.90000 0.00000 -0.71000 0.00000 -3.08000 0.00000 2.38000 66.00000 NBP2_1GCQ-25_5.PDB 1.42117 -11.87000 -2.78000 -5.05000 -8.32000 -3.84000 10.47000 -10.08000 1.03000 7.31000 2.42000 0.00000 0.00000 0.00000 0.05000 0.89000 0.00000 -0.16000 0.00000 -2.92000 0.00000 2.38000 66.00000 NBP2_1GCQ-25_6.PDB 1.62342 -12.28000 -2.77000 -4.30000 -8.70000 -4.67000 11.28000 -10.16000 1.12000 7.22000 2.48000 0.00000 0.00000 0.00000 0.04000 0.89000 0.00000 -0.35000 0.00000 -3.48000 0.00000 2.38000 66.00000 NBP2_1GCQ-25_7.PDB 3.17532 -13.27000 -3.70000 -3.54000 -9.60000 -3.83000 11.28000 -11.64000 1.39000 7.17000 2.58000 0.00000 0.00000 0.00000 0.04000 0.92000 0.00000 -0.54000 0.00000 -2.89000 0.00000 2.38000 66.00000 NBP2_1GCQ-25_8.PDB 1.12742 -11.50000 -2.68000 -4.87000 -8.33000 -4.25000 10.90000 -10.00000 1.31000 7.46000 2.51000 0.00000 0.00000 0.00000 0.03000 0.87000 0.00000 -0.35000 0.00000 -3.23000 0.00000 2.38000 66.00000 NBP2_1GCQ-25_9.PDB 2.73035 -13.13000 -2.76000 -4.93000 -8.92000 -4.67000 11.36000 -10.98000 1.28000 7.86000 2.28000 0.00000 0.00000 0.00000 0.04000 0.79000 0.00000 -0.18000 0.00000 -3.52000 0.00000 2.38000 66.00000 NBP2_1GCQ-25_10.PDB 1.40781 -10.14000 -1.06000 -4.87000 -8.00000 -2.87000 8.99000 -10.23000 1.31000 6.46000 2.38000 0.00000 0.00000 0.00000 0.03000 0.84000 0.00000 -0.50000 0.00000 -1.79000 0.00000 2.38000 66.00000 NBP2_1GCQ-25_11.PDB 1.33585 -11.81000 -2.76000 -4.27000 -8.39000 -4.10000 10.47000 -10.07000 1.24000 7.10000 2.39000 0.00000 0.00000 0.00000 0.04000 0.89000 0.00000 -0.24000 0.00000 -3.21000 0.00000 2.38000 66.00000 NBP2_1GCQ-25_12.PDB 1.37188 -10.01000 -1.07000 -4.70000 -7.84000 -2.82000 8.75000 -10.15000 1.32000 6.36000 2.45000 0.00000 0.00000 0.00000 0.04000 0.84000 0.00000 -0.60000 0.00000 -1.75000 0.00000 2.38000 66.00000 NBP2_1GCQ-25_13.PDB 1.97361 -12.57000 -2.75000 -4.30000 -9.07000 -4.00000 10.93000 -11.25000 1.61000 7.52000 2.14000 0.00000 0.00000 0.00000 0.04000 0.89000 0.00000 -0.36000 0.00000 -3.08000 0.00000 2.38000 66.00000 NBP2_1GCQ-25_14.PDB 2.01109 -11.80000 -2.69000 -4.35000 -8.26000 -4.53000 10.76000 -9.93000 1.03000 7.31000 2.62000 0.00000 0.00000 0.00000 0.04000 0.91000 0.00000 -0.16000 0.00000 -3.64000 0.00000 2.38000 66.00000 NBP2_1GCQ-25_15.PDB 1.23777 -11.73000 -2.68000 -5.01000 -8.32000 -4.09000 10.70000 -10.20000 1.48000 7.61000 2.45000 0.00000 0.00000 0.00000 0.04000 0.85000 0.00000 -0.50000 0.00000 -3.21000 0.00000 2.38000 66.00000 NBP2_1GCQ-25_16.PDB 2.59624 -12.39000 -3.61000 -3.60000 -8.99000 -3.48000 10.87000 -10.87000 1.22000 7.67000 2.41000 0.00000 0.00000 0.00000 0.05000 0.88000 0.00000 -1.06000 0.00000 -3.00000 0.00000 2.38000 66.00000 NBP2_1GCQ-25_17.PDB 1.23595 -11.70000 -2.73000 -5.06000 -8.36000 -3.95000 10.57000 -10.13000 1.44000 7.45000 2.52000 0.00000 0.00000 0.00000 0.04000 0.87000 0.00000 -0.32000 0.00000 -3.17000 0.00000 2.38000 66.00000 NBP2_1GCQ-25_18.PDB 2.85574 -10.15000 -2.78000 -5.25000 -8.27000 -3.93000 10.67000 -9.81000 2.57000 7.44000 2.65000 0.00000 0.00000 0.00000 0.03000 0.91000 0.00000 -0.34000 0.00000 -3.12000 0.00000 2.38000 66.00000 NBP2_1GCQ-25_19.PDB 1.40402 -9.53000 -1.01000 -4.36000 -7.96000 -2.85000 8.79000 -10.23000 1.75000 6.17000 2.43000 0.00000 0.00000 0.00000 0.05000 0.84000 0.00000 -0.53000 0.00000 -1.79000 0.00000 2.38000 66.00000 NBP2_1GCQ-25_20.PDB 2.81909 -12.33000 -3.48000 -3.47000 -9.38000 -3.38000 10.62000 -11.59000 1.43000 7.28000 2.71000 0.00000 0.00000 0.00000 0.04000 0.92000 0.00000 -0.40000 0.00000 -2.71000 0.00000 2.38000 66.00000 NBP2_1GCQ-25_21.PDB 2.38047 -11.76000 -3.61000 -3.82000 -8.89000 -3.37000 10.55000 -10.73000 1.22000 7.65000 2.44000 0.00000 0.00000 0.00000 0.04000 0.87000 0.00000 -0.41000 0.00000 -2.83000 0.00000 2.38000 66.00000 NBP2_1GCQ-25_22.PDB 2.57466 -11.94000 -3.62000 -3.63000 -9.09000 -4.17000 11.19000 -10.45000 1.30000 8.18000 2.41000 0.00000 0.00000 0.00000 0.06000 0.86000 0.00000 -0.68000 0.00000 -3.45000 0.00000 2.38000 66.00000 NBP2_1GCQ-25_23.PDB 1.62286 -10.13000 -1.07000 -4.14000 -7.97000 -3.15000 8.90000 -10.20000 1.13000 6.24000 2.48000 0.00000 0.00000 0.00000 0.02000 0.87000 0.00000 -0.28000 0.00000 -2.08000 0.00000 2.38000 66.00000 NBP2_1GCQ-25_24.PDB 2.68960 -10.50000 -1.10000 -4.87000 -8.51000 -2.84000 9.23000 -11.37000 1.63000 6.91000 2.49000 0.00000 0.00000 0.00000 0.05000 0.89000 0.00000 -0.27000 0.00000 -1.84000 0.00000 2.38000 66.00000 NBP2_1GCQ-25_25.PDB 1.37129 -11.87000 -2.79000 -5.08000 -8.26000 -3.85000 10.50000 -9.93000 1.30000 7.29000 2.35000 0.00000 0.00000 0.00000 0.04000 0.81000 0.00000 -0.50000 0.00000 -2.92000 0.00000 2.38000 66.00000 NBP2_1GCQ-25_26.PDB 2.43013 -11.88000 -3.61000 -3.61000 -9.33000 -4.22000 11.47000 -10.66000 1.46000 8.21000 2.44000 0.00000 0.00000 0.00000 0.03000 0.90000 0.00000 -0.61000 0.00000 -3.44000 0.00000 2.38000 66.00000 NBP2_1GCQ-25_27.PDB 1.72927 -10.38000 -1.08000 -4.89000 -7.61000 -2.88000 8.40000 -9.95000 1.26000 6.45000 2.43000 0.00000 0.00000 0.00000 0.05000 0.82000 0.00000 -0.53000 0.00000 -2.04000 0.00000 2.38000 66.00000 NBP2_1GCQ-25_28.PDB 2.25522 -9.93000 -1.07000 -3.69000 -7.77000 -1.99000 7.06000 -10.81000 1.71000 6.52000 2.29000 0.00000 0.00000 0.00000 0.05000 0.79000 0.00000 -0.58000 0.00000 -1.64000 0.00000 2.38000 66.00000 NBP2_1GCQ-25_29.PDB 1.98344 -11.47000 -2.79000 -4.87000 -8.33000 -4.05000 10.94000 -9.89000 0.99000 7.43000 2.36000 0.00000 0.00000 0.00000 0.03000 0.83000 0.00000 -0.24000 0.00000 -3.04000 0.00000 2.38000 66.00000 NBP2_1GCQ-25_30.PDB 1.49052 -12.39000 -2.74000 -5.08000 -8.46000 -3.92000 10.33000 -10.64000 1.77000 7.85000 2.18000 0.00000 0.00000 0.00000 0.04000 0.77000 0.00000 -0.49000 0.00000 -3.23000 0.00000 2.38000 66.00000