name total energy Backbone Hbon 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-19_1.PDB 17.85000 -41.98000 -12.65000 -62.50000 -0.81000 81.83000 -80.13000 9.34000 31.30000 95.13000 0.00000 0.00000 0.00000 2.25000 20.23000 0.00000 -2.04000 0.00000 -1.89000 0.00000 0.00000 66.00000 NBP2_1GCQ-19_2.PDB 16.35000 -42.64000 -11.44000 -63.79000 -1.42000 82.37000 -82.29000 9.21000 32.97000 95.46000 0.00000 0.00000 0.00000 2.27000 20.46000 0.00000 -2.37000 0.00000 -1.98000 0.00000 0.00000 66.00000 NBP2_1GCQ-19_3.PDB 16.53000 -41.80000 -12.97000 -63.87000 -1.45000 82.90000 -81.68000 8.89000 33.56000 95.99000 0.00000 0.00000 0.00000 2.56000 20.67000 0.00000 -2.67000 0.00000 -2.93000 0.00000 0.00000 66.00000 NBP2_1GCQ-19_4.PDB 14.10000 -42.19000 -13.62000 -63.82000 -1.71000 81.69000 -82.03000 9.64000 32.82000 95.42000 0.00000 0.00000 0.00000 2.86000 20.55000 0.00000 -2.78000 0.00000 -2.19000 0.00000 0.00000 66.00000 NBP2_1GCQ-19_5.PDB 16.63000 -43.10000 -13.75000 -64.11000 -1.85000 83.21000 -82.43000 9.05000 33.87000 96.58000 0.00000 0.00000 0.00000 3.56000 20.60000 0.00000 -2.23000 0.00000 -2.17000 0.00000 0.00000 66.00000 NBP2_1GCQ-19_6.PDB 16.37000 -43.67000 -12.62000 -63.06000 -2.11000 82.61000 -81.18000 9.52000 33.16000 96.24000 0.00000 0.00000 0.00000 2.28000 20.42000 0.00000 -2.28000 0.00000 -2.51000 0.00000 0.00000 66.00000 NBP2_1GCQ-19_7.PDB 17.50000 -41.26000 -11.97000 -63.47000 -1.30000 82.49000 -81.08000 9.26000 31.26000 94.67000 0.00000 0.00000 0.00000 3.06000 20.16000 0.00000 -2.04000 0.00000 -2.11000 0.00000 0.00000 66.00000 NBP2_1GCQ-19_8.PDB 16.99000 -43.28000 -12.13000 -63.48000 -1.69000 83.24000 -81.13000 10.19000 32.57000 95.98000 0.00000 0.00000 0.00000 1.87000 20.22000 0.00000 -2.45000 0.00000 -2.69000 0.00000 0.00000 66.00000 NBP2_1GCQ-19_9.PDB 18.03000 -42.81000 -11.61000 -62.31000 -2.11000 81.99000 -79.50000 9.03000 32.18000 96.03000 0.00000 0.00000 0.00000 2.13000 20.27000 0.00000 -2.24000 0.00000 -2.76000 0.00000 0.00000 66.00000 NBP2_1GCQ-19_10.PDB 12.64000 -45.26000 -14.69000 -66.96000 -3.76000 88.27000 -84.41000 9.65000 36.05000 97.18000 0.00000 0.00000 0.00000 2.88000 20.85000 0.00000 -2.49000 0.00000 -3.83000 0.00000 0.00000 66.00000 NBP2_1GCQ-19_11.PDB 18.26000 -42.82000 -11.61000 -63.63000 -1.05000 82.70000 -81.65000 9.50000 32.63000 95.53000 0.00000 0.00000 0.00000 3.29000 20.63000 0.00000 -2.68000 0.00000 -1.96000 0.00000 0.00000 66.00000 NBP2_1GCQ-19_12.PDB 13.53000 -44.51000 -13.39000 -65.42000 -3.17000 85.46000 -83.41000 9.67000 35.04000 96.79000 0.00000 0.00000 0.00000 2.41000 20.40000 0.00000 -2.53000 0.00000 -3.41000 0.00000 0.00000 66.00000 NBP2_1GCQ-19_13.PDB 15.93000 -43.90000 -12.11000 -64.15000 -1.76000 83.29000 -82.09000 9.28000 33.23000 96.13000 0.00000 0.00000 0.00000 2.73000 20.77000 0.00000 -2.47000 0.00000 -2.24000 0.00000 0.00000 66.00000 NBP2_1GCQ-19_14.PDB 20.15000 -41.99000 -10.55000 -63.42000 -0.93000 81.77000 -82.09000 11.65000 30.92000 96.08000 0.00000 0.00000 0.00000 2.24000 20.05000 0.00000 -1.97000 0.00000 -1.55000 0.00000 0.00000 66.00000 NBP2_1GCQ-19_15.PDB 17.95000 -42.78000 -11.55000 -63.79000 -1.30000 82.29000 -82.33000 10.61000 32.02000 96.00000 0.00000 0.00000 0.00000 3.03000 20.31000 0.00000 -2.01000 0.00000 -2.24000 0.00000 0.00000 66.00000 NBP2_1GCQ-19_16.PDB 17.24000 -43.80000 -12.08000 -65.36000 -1.52000 84.47000 -84.20000 10.48000 33.46000 96.95000 0.00000 0.00000 0.00000 2.94000 20.66000 0.00000 -2.30000 0.00000 -1.79000 0.00000 0.00000 66.00000 NBP2_1GCQ-19_17.PDB 16.27000 -43.58000 -12.69000 -64.34000 -1.50000 82.68000 -83.24000 10.59000 33.30000 96.44000 0.00000 0.00000 0.00000 2.51000 20.58000 0.00000 -2.25000 0.00000 -1.65000 0.00000 0.00000 66.00000 NBP2_1GCQ-19_18.PDB 18.17000 -41.49000 -11.66000 -64.21000 -1.53000 82.32000 -82.67000 10.24000 33.25000 95.73000 0.00000 0.00000 0.00000 2.48000 20.38000 0.00000 -2.15000 0.00000 -2.15000 0.00000 0.00000 66.00000 NBP2_1GCQ-19_19.PDB 17.47000 -42.52000 -11.75000 -62.25000 -1.61000 81.01000 -79.84000 9.42000 32.19000 95.11000 0.00000 0.00000 0.00000 2.30000 20.31000 0.00000 -2.62000 0.00000 -1.97000 0.00000 0.00000 66.00000 NBP2_1GCQ-19_20.PDB 17.52000 -44.35000 -13.15000 -64.32000 -1.80000 84.77000 -82.58000 10.12000 34.70000 95.86000 0.00000 0.00000 0.00000 2.24000 20.58000 0.00000 -2.16000 0.00000 -1.82000 0.00000 0.00000 66.00000 NBP2_1GCQ-19_21.PDB 15.93000 -41.48000 -11.97000 -62.92000 -1.58000 81.21000 -80.87000 9.11000 31.84000 95.23000 0.00000 0.00000 0.00000 2.20000 20.20000 0.00000 -2.31000 0.00000 -2.52000 0.00000 0.00000 66.00000 NBP2_1GCQ-19_22.PDB 19.38000 -41.33000 -11.99000 -64.57000 -0.71000 84.15000 -82.92000 9.75000 32.53000 95.52000 0.00000 0.00000 0.00000 2.63000 20.60000 0.00000 -2.09000 0.00000 -1.57000 0.00000 0.00000 66.00000 NBP2_1GCQ-19_23.PDB 13.22000 -44.06000 -12.98000 -66.42000 -2.44000 85.62000 -84.58000 9.42000 34.68000 96.91000 0.00000 0.00000 0.00000 2.06000 20.99000 0.00000 -2.29000 0.00000 -2.71000 0.00000 0.00000 66.00000 NBP2_1GCQ-19_24.PDB 15.75000 -43.44000 -12.09000 -62.54000 -1.10000 81.03000 -80.51000 9.40000 31.65000 96.06000 0.00000 0.00000 0.00000 1.98000 20.25000 0.00000 -2.50000 0.00000 -2.19000 0.00000 0.00000 66.00000 NBP2_1GCQ-19_25.PDB 16.35000 -42.23000 -13.44000 -65.51000 -1.38000 84.59000 -84.33000 10.55000 34.84000 95.46000 0.00000 0.00000 0.00000 1.98000 20.63000 0.00000 -2.06000 0.00000 -2.13000 0.00000 0.00000 66.00000 NBP2_1GCQ-19_26.PDB 19.21000 -42.54000 -11.46000 -63.78000 -1.44000 83.73000 -81.79000 9.22000 32.67000 96.45000 0.00000 0.00000 0.00000 2.47000 20.49000 0.00000 -2.23000 0.00000 -2.10000 0.00000 0.00000 66.00000 NBP2_1GCQ-19_27.PDB 17.41000 -42.48000 -11.26000 -65.18000 -1.61000 84.38000 -83.49000 9.66000 33.28000 96.08000 0.00000 0.00000 0.00000 2.72000 21.02000 0.00000 -2.20000 0.00000 -2.48000 0.00000 0.00000 66.00000 NBP2_1GCQ-19_28.PDB 14.56000 -43.42000 -15.76000 -63.98000 -2.78000 84.74000 -81.60000 9.24000 35.40000 96.48000 0.00000 0.00000 0.00000 2.23000 20.51000 0.00000 -2.86000 0.00000 -3.13000 0.00000 0.00000 66.00000 NBP2_1GCQ-19_29.PDB 16.13000 -43.88000 -12.08000 -64.46000 -1.99000 83.76000 -82.36000 9.11000 33.39000 96.09000 0.00000 0.00000 0.00000 3.14000 20.68000 0.00000 -2.15000 0.00000 -2.44000 0.00000 0.00000 66.00000 NBP2_1GCQ-19_30.PDB 16.87000 -43.16000 -13.61000 -63.95000 -1.84000 83.26000 -82.25000 10.11000 34.11000 96.45000 0.00000 0.00000 0.00000 2.51000 20.45000 0.00000 -2.32000 0.00000 -2.42000 0.00000 0.00000 66.00000