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-20_1.PDB 2.47423 -10.68000 -2.20000 -3.73000 -9.46000 -1.84000 10.06000 -12.08000 0.50000 7.40000 3.29000 0.00000 0.00000 0.00000 0.11000 0.43000 0.00000 -0.58000 0.00000 -2.15000 0.00000 2.38000 66.00000 NBP2_1GCQ-20_2.PDB 2.92321 -9.75000 -3.09000 -3.04000 -8.51000 -1.91000 9.79000 -10.60000 0.50000 6.51000 3.72000 0.00000 0.00000 0.00000 0.13000 0.45000 0.00000 -1.04000 0.00000 -2.21000 0.00000 2.38000 66.00000 NBP2_1GCQ-20_3.PDB 2.38278 -10.66000 -1.45000 -1.45000 -8.51000 -1.65000 7.36000 -11.54000 0.57000 5.19000 3.34000 0.00000 0.00000 0.00000 0.13000 0.36000 0.00000 -0.59000 0.00000 -2.07000 0.00000 2.38000 66.00000 NBP2_1GCQ-20_4.PDB 2.64278 -10.84000 -2.80000 -2.83000 -9.26000 -2.15000 9.75000 -11.86000 1.97000 6.49000 3.04000 0.00000 0.00000 0.00000 0.13000 0.60000 0.00000 -0.87000 0.00000 -2.45000 0.00000 2.38000 66.00000 NBP2_1GCQ-20_5.PDB 2.48224 -9.57000 -2.22000 -2.75000 -8.68000 -1.89000 8.91000 -11.33000 2.04000 5.86000 3.02000 0.00000 0.00000 0.00000 0.12000 0.33000 0.00000 -0.41000 0.00000 -2.24000 0.00000 2.38000 66.00000 NBP2_1GCQ-20_6.PDB 3.12126 -9.17000 -1.44000 -1.43000 -7.80000 -1.45000 6.99000 -10.55000 0.54000 4.66000 3.30000 0.00000 0.00000 0.00000 0.19000 0.38000 0.00000 -0.47000 0.00000 -1.72000 0.00000 2.38000 66.00000 NBP2_1GCQ-20_7.PDB 2.41542 -11.12000 -2.21000 -2.51000 -8.74000 -1.68000 8.82000 -11.71000 0.83000 5.52000 3.38000 0.00000 0.00000 0.00000 0.10000 0.37000 0.00000 -0.89000 0.00000 -2.05000 0.00000 2.38000 66.00000 NBP2_1GCQ-20_8.PDB 6.18504 -6.49000 -2.20000 -2.29000 -7.94000 -1.77000 8.36000 -10.17000 2.40000 5.06000 4.09000 0.00000 0.00000 0.00000 0.37000 0.62000 0.00000 -0.55000 0.00000 -1.85000 0.00000 2.38000 66.00000 NBP2_1GCQ-20_9.PDB 2.43321 -11.58000 -2.26000 -2.48000 -8.69000 -1.85000 9.14000 -11.50000 0.81000 5.27000 2.88000 0.00000 0.00000 0.00000 0.12000 0.40000 0.00000 -0.77000 0.00000 -2.26000 0.00000 2.38000 66.00000 NBP2_1GCQ-20_10.PDB 2.87848 -9.62000 -2.06000 -2.65000 -9.16000 -1.91000 9.17000 -11.94000 1.11000 6.38000 3.83000 0.00000 0.00000 0.00000 0.13000 0.43000 0.00000 -0.44000 0.00000 -2.09000 0.00000 2.38000 66.00000 NBP2_1GCQ-20_11.PDB 3.40555 -10.26000 -1.45000 -1.45000 -8.94000 -0.84000 7.67000 -12.27000 0.36000 4.90000 3.39000 0.00000 0.00000 0.00000 0.11000 0.32000 0.00000 -0.72000 0.00000 -1.02000 0.00000 2.38000 66.00000 NBP2_1GCQ-20_12.PDB 5.44543 -8.76000 -2.29000 -3.86000 -8.22000 -1.39000 9.35000 -10.60000 1.77000 5.25000 3.08000 0.00000 0.00000 0.00000 0.36000 0.53000 0.00000 -0.91000 0.00000 -1.31000 0.00000 2.38000 66.00000 NBP2_1GCQ-20_13.PDB 2.90997 -10.45000 -2.20000 -2.82000 -8.66000 -1.98000 9.18000 -11.20000 0.60000 5.98000 3.21000 0.00000 0.00000 0.00000 0.11000 0.34000 0.00000 -0.39000 0.00000 -2.27000 0.00000 2.38000 66.00000 NBP2_1GCQ-20_14.PDB 3.29286 -8.98000 -2.19000 -2.46000 -8.45000 -2.14000 9.17000 -10.82000 0.80000 5.88000 3.90000 0.00000 0.00000 0.00000 0.17000 0.47000 0.00000 -0.50000 0.00000 -2.32000 0.00000 2.38000 66.00000 NBP2_1GCQ-20_15.PDB 2.30801 -10.18000 -2.19000 -2.22000 -9.09000 -1.49000 8.66000 -12.11000 0.57000 5.87000 4.06000 0.00000 0.00000 0.00000 0.12000 0.47000 0.00000 -0.52000 0.00000 -1.85000 0.00000 2.38000 66.00000 NBP2_1GCQ-20_16.PDB 3.53586 -11.64000 -2.29000 -2.24000 -8.69000 -1.60000 8.61000 -11.62000 0.47000 5.15000 3.33000 0.00000 0.00000 0.00000 0.11000 0.39000 0.00000 -0.92000 0.00000 -1.95000 0.00000 2.38000 66.00000 NBP2_1GCQ-20_17.PDB 2.83705 -9.25000 -2.27000 -2.24000 -8.19000 -1.46000 8.40000 -10.85000 0.63000 4.84000 4.11000 0.00000 0.00000 0.00000 0.27000 0.44000 0.00000 -0.75000 0.00000 -1.73000 0.00000 2.38000 66.00000 NBP2_1GCQ-20_18.PDB 3.02194 -10.34000 -2.27000 -2.23000 -8.89000 -1.23000 8.84000 -11.76000 0.67000 5.30000 3.67000 0.00000 0.00000 0.00000 0.12000 0.42000 0.00000 -0.95000 0.00000 -1.61000 0.00000 2.38000 66.00000 NBP2_1GCQ-20_19.PDB 2.96963 -9.29000 -1.40000 -2.18000 -8.90000 -1.34000 7.84000 -12.26000 2.11000 5.54000 3.28000 0.00000 0.00000 0.00000 0.10000 0.39000 0.00000 -0.42000 0.00000 -1.66000 0.00000 2.38000 66.00000 NBP2_1GCQ-20_20.PDB 2.63595 -9.09000 -2.20000 -2.88000 -8.11000 -1.25000 9.20000 -10.57000 0.48000 5.20000 3.05000 0.00000 0.00000 0.00000 0.13000 0.40000 0.00000 -0.75000 0.00000 -1.38000 0.00000 2.38000 66.00000 NBP2_1GCQ-20_21.PDB 4.71736 -8.70000 -2.26000 -3.76000 -8.61000 -1.12000 9.73000 -10.88000 1.58000 4.93000 3.26000 0.00000 0.00000 0.00000 0.29000 0.50000 0.00000 -0.78000 0.00000 -1.07000 0.00000 2.38000 66.00000 NBP2_1GCQ-20_22.PDB 3.86423 -9.85000 -1.45000 -1.74000 -8.86000 -1.34000 7.38000 -12.12000 1.40000 5.50000 3.90000 0.00000 0.00000 0.00000 0.05000 0.46000 0.00000 -0.78000 0.00000 -1.80000 0.00000 2.38000 66.00000 NBP2_1GCQ-20_23.PDB 2.67272 -9.13000 -2.17000 -2.15000 -8.84000 -1.14000 8.74000 -11.69000 0.99000 5.19000 4.11000 0.00000 0.00000 0.00000 0.14000 0.47000 0.00000 -0.87000 0.00000 -1.44000 0.00000 2.38000 66.00000 NBP2_1GCQ-20_24.PDB 2.34853 -9.52000 -1.44000 -1.95000 -8.66000 -1.01000 7.72000 -11.82000 0.40000 5.37000 3.62000 0.00000 0.00000 0.00000 0.13000 0.28000 0.00000 -0.61000 0.00000 -1.28000 0.00000 2.38000 66.00000 NBP2_1GCQ-20_25.PDB 2.75319 -11.41000 -1.45000 -2.66000 -9.04000 -1.98000 7.98000 -12.25000 0.86000 6.68000 3.52000 0.00000 0.00000 0.00000 0.11000 0.46000 0.00000 -0.77000 0.00000 -2.40000 0.00000 2.38000 66.00000 NBP2_1GCQ-20_26.PDB 2.43284 -12.69000 -2.25000 -4.12000 -9.05000 -1.81000 9.32000 -11.87000 0.77000 5.85000 3.53000 0.00000 0.00000 0.00000 0.13000 0.44000 0.00000 -0.92000 0.00000 -2.27000 0.00000 2.38000 66.00000 NBP2_1GCQ-20_27.PDB 2.76628 -8.45000 -2.26000 -2.22000 -8.23000 -1.18000 9.13000 -10.70000 0.54000 5.05000 3.27000 0.00000 0.00000 0.00000 0.16000 0.43000 0.00000 -0.71000 0.00000 -1.31000 0.00000 2.38000 66.00000 NBP2_1GCQ-20_28.PDB 1.95937 -11.08000 -3.00000 -2.99000 -8.90000 -1.54000 10.18000 -11.49000 0.46000 5.41000 3.23000 0.00000 0.00000 0.00000 0.14000 0.35000 0.00000 -0.76000 0.00000 -1.80000 0.00000 2.38000 66.00000 NBP2_1GCQ-20_29.PDB 2.15234 -10.86000 -2.20000 -2.91000 -8.80000 -2.76000 9.93000 -10.91000 0.39000 6.19000 3.33000 0.00000 0.00000 0.00000 0.10000 0.48000 0.00000 -0.45000 0.00000 -2.78000 0.00000 2.38000 66.00000 NBP2_1GCQ-20_30.PDB 3.40023 -10.51000 -2.24000 -2.20000 -8.67000 -1.38000 8.37000 -11.63000 0.65000 5.26000 3.65000 0.00000 0.00000 0.00000 0.17000 0.46000 0.00000 -0.65000 0.00000 -1.83000 0.00000 2.38000 66.00000