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-21_1.PDB 4.64662 -9.04000 -1.91000 -3.52000 -6.49000 -1.55000 6.67000 -7.78000 1.03000 5.13000 0.89000 0.00000 0.00000 0.00000 0.80000 0.68000 0.00000 -0.93000 0.00000 -1.39000 0.00000 2.38000 67.00000 NBP2_1GCQ-21_2.PDB 5.06834 -8.01000 -1.59000 -1.63000 -6.38000 -1.42000 5.72000 -7.71000 1.70000 3.68000 0.98000 0.00000 0.00000 0.00000 0.34000 0.53000 0.00000 -0.45000 0.00000 -1.25000 0.00000 2.38000 67.00000 NBP2_1GCQ-21_3.PDB 6.29531 -10.08000 -3.64000 -6.41000 -6.60000 -1.45000 8.39000 -7.98000 2.05000 6.45000 1.01000 0.00000 0.00000 0.00000 0.41000 0.84000 0.00000 -1.07000 0.00000 -1.24000 0.00000 2.38000 67.00000 NBP2_1GCQ-21_4.PDB 6.91602 -10.65000 -3.09000 -4.97000 -6.77000 -1.97000 7.82000 -8.18000 1.59000 5.60000 1.15000 0.00000 0.00000 0.00000 0.44000 0.81000 0.00000 -0.45000 0.00000 -1.83000 0.00000 2.38000 67.00000 NBP2_1GCQ-21_5.PDB 6.03925 -7.95000 -2.29000 -2.33000 -6.48000 -1.81000 6.38000 -7.74000 1.02000 4.96000 1.57000 0.00000 0.00000 0.00000 0.89000 0.63000 0.00000 -0.48000 0.00000 -1.65000 0.00000 2.38000 67.00000 NBP2_1GCQ-21_6.PDB 4.83251 -8.99000 -2.09000 -3.96000 -6.27000 -0.44000 5.64000 -8.74000 1.77000 4.64000 0.93000 0.00000 0.00000 0.00000 0.37000 0.57000 0.00000 -0.19000 0.00000 -0.64000 0.00000 2.38000 67.00000 NBP2_1GCQ-21_7.PDB 5.94469 -10.26000 -3.51000 -4.79000 -6.38000 -1.54000 7.27000 -7.92000 1.86000 5.08000 0.81000 0.00000 0.00000 0.00000 0.49000 0.75000 0.00000 -0.48000 0.00000 -1.15000 0.00000 2.38000 67.00000 NBP2_1GCQ-21_8.PDB 7.33454 -11.29000 -3.40000 -3.88000 -6.92000 -2.11000 7.33000 -8.41000 1.47000 5.57000 0.98000 0.00000 0.00000 0.00000 0.42000 0.63000 0.00000 -0.52000 0.00000 -1.81000 0.00000 2.38000 67.00000 NBP2_1GCQ-21_9.PDB 6.36597 -9.51000 -3.44000 -3.58000 -6.63000 -2.21000 7.12000 -7.71000 2.36000 4.83000 0.80000 0.00000 0.00000 0.00000 0.96000 0.72000 0.00000 -0.37000 0.00000 -1.62000 0.00000 2.38000 67.00000 NBP2_1GCQ-21_10.PDB 6.46654 -9.42000 -2.59000 -2.64000 -6.34000 -2.16000 6.87000 -7.74000 1.09000 4.62000 0.80000 0.00000 0.00000 0.00000 1.26000 0.59000 0.00000 -0.85000 0.00000 -1.74000 0.00000 2.38000 67.00000 NBP2_1GCQ-21_11.PDB 8.16127 -9.92000 -2.76000 -5.61000 -6.61000 -1.95000 7.60000 -7.98000 1.71000 6.10000 1.02000 0.00000 0.00000 0.00000 0.59000 0.87000 0.00000 -0.35000 0.00000 -1.69000 0.00000 2.38000 67.00000 NBP2_1GCQ-21_12.PDB 7.94733 -10.03000 -2.58000 -2.59000 -6.36000 -2.26000 6.32000 -7.84000 1.35000 5.28000 0.95000 0.00000 0.00000 0.00000 0.86000 0.52000 0.00000 -1.00000 0.00000 -2.17000 0.00000 2.38000 67.00000 NBP2_1GCQ-21_13.PDB 3.57642 -8.75000 -1.67000 -1.72000 -6.12000 -0.43000 4.59000 -8.56000 0.88000 4.09000 0.98000 0.00000 0.00000 0.00000 0.26000 0.46000 0.00000 -0.43000 0.00000 -0.64000 0.00000 2.38000 67.00000 NBP2_1GCQ-21_14.PDB 4.30222 -8.77000 -1.77000 -2.80000 -6.15000 -0.46000 4.87000 -8.69000 0.89000 4.63000 0.94000 0.00000 0.00000 0.00000 0.50000 0.48000 0.00000 -0.05000 0.00000 -0.70000 0.00000 2.38000 67.00000 NBP2_1GCQ-21_15.PDB 5.85533 -9.40000 -1.65000 -1.76000 -6.42000 -0.83000 4.46000 -9.08000 0.89000 4.55000 1.84000 0.00000 0.00000 0.00000 0.29000 0.55000 0.00000 -0.52000 0.00000 -1.17000 0.00000 2.38000 67.00000 NBP2_1GCQ-21_16.PDB 4.50484 -8.31000 -1.75000 -1.80000 -6.18000 -0.94000 5.12000 -8.38000 0.89000 4.14000 1.57000 0.00000 0.00000 0.00000 0.75000 0.59000 0.00000 -0.73000 0.00000 -1.00000 0.00000 2.38000 67.00000 NBP2_1GCQ-21_17.PDB 6.91674 -8.95000 -2.58000 -2.62000 -6.36000 -2.12000 6.78000 -7.64000 1.19000 4.72000 0.81000 0.00000 0.00000 0.00000 1.20000 0.60000 0.00000 -0.64000 0.00000 -1.67000 0.00000 2.38000 67.00000 NBP2_1GCQ-21_18.PDB 6.98957 -9.08000 -3.02000 -5.89000 -6.64000 -1.77000 8.71000 -8.03000 1.45000 6.17000 1.50000 0.00000 0.00000 0.00000 0.60000 0.88000 0.00000 -0.51000 0.00000 -1.63000 0.00000 2.38000 67.00000 NBP2_1GCQ-21_19.PDB 7.77098 -11.17000 -3.42000 -3.73000 -6.64000 -2.77000 7.34000 -7.75000 1.57000 5.17000 0.97000 0.00000 0.00000 0.00000 0.92000 0.73000 0.00000 -0.52000 0.00000 -2.29000 0.00000 2.38000 67.00000 NBP2_1GCQ-21_20.PDB 8.03160 -9.46000 -2.18000 -2.84000 -6.20000 -2.37000 6.47000 -7.66000 1.50000 4.79000 0.84000 0.00000 0.00000 0.00000 0.85000 0.66000 0.00000 -0.42000 0.00000 -2.23000 0.00000 2.38000 67.00000 NBP2_1GCQ-21_21.PDB 4.79735 -8.14000 -1.70000 -1.78000 -6.41000 -0.90000 5.04000 -8.94000 1.90000 4.25000 0.83000 0.00000 0.00000 0.00000 0.90000 0.49000 0.00000 -0.42000 0.00000 -0.91000 0.00000 2.38000 67.00000 NBP2_1GCQ-21_22.PDB 5.81361 -8.41000 -1.67000 -1.80000 -6.00000 -0.39000 4.13000 -8.67000 1.46000 4.15000 0.87000 0.00000 0.00000 0.00000 0.48000 0.49000 0.00000 -0.36000 0.00000 -0.60000 0.00000 2.38000 67.00000 NBP2_1GCQ-21_23.PDB 3.87333 -7.80000 -1.07000 -2.70000 -5.80000 -1.60000 5.48000 -7.12000 1.20000 5.10000 0.84000 0.00000 0.00000 0.00000 0.16000 0.76000 0.00000 -0.59000 0.00000 -1.69000 0.00000 2.38000 67.00000 NBP2_1GCQ-21_24.PDB 5.16579 -7.72000 -1.12000 -2.82000 -6.12000 -0.53000 4.83000 -8.49000 1.59000 4.62000 0.99000 0.00000 0.00000 0.00000 0.31000 0.75000 0.00000 -0.17000 0.00000 -0.82000 0.00000 2.38000 67.00000 NBP2_1GCQ-21_25.PDB 4.94983 -8.31000 -1.67000 -1.65000 -5.84000 -1.21000 4.94000 -8.07000 1.01000 3.98000 0.85000 0.00000 0.00000 0.00000 0.80000 0.56000 0.00000 -0.31000 0.00000 -1.13000 0.00000 2.38000 67.00000 NBP2_1GCQ-21_26.PDB 5.96120 -9.71000 -1.67000 -2.75000 -6.15000 -0.85000 4.76000 -8.85000 0.90000 4.91000 1.04000 0.00000 0.00000 0.00000 0.51000 0.59000 0.00000 -0.31000 0.00000 -1.26000 0.00000 2.38000 67.00000 NBP2_1GCQ-21_27.PDB 6.21105 -9.43000 -1.72000 -1.88000 -6.42000 -1.32000 4.97000 -8.58000 1.20000 4.42000 1.02000 0.00000 0.00000 0.00000 0.80000 0.64000 0.00000 -0.38000 0.00000 -1.55000 0.00000 2.38000 67.00000 NBP2_1GCQ-21_28.PDB 8.26416 -9.67000 -3.34000 -3.37000 -6.42000 -2.13000 6.91000 -7.85000 1.99000 5.11000 0.81000 0.00000 0.00000 0.00000 1.01000 0.81000 0.00000 -0.34000 0.00000 -2.04000 0.00000 2.38000 67.00000 NBP2_1GCQ-21_29.PDB 4.15104 -7.14000 -1.38000 -3.16000 -5.81000 -1.19000 6.24000 -7.41000 1.20000 4.71000 1.01000 0.00000 0.00000 0.00000 0.42000 0.74000 0.00000 -0.43000 0.00000 -1.34000 0.00000 2.38000 67.00000 NBP2_1GCQ-21_30.PDB 5.11795 -9.46000 -2.90000 -5.05000 -6.83000 -2.26000 8.09000 -7.92000 1.82000 6.39000 0.99000 0.00000 0.00000 0.00000 0.38000 0.66000 0.00000 -0.32000 0.00000 -1.85000 0.00000 2.38000 67.00000