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 BUD14_1GCQ-2_1.PDB 19.56000 -43.24000 -12.71000 -68.24000 -1.42000 82.42000 -88.21000 17.92000 37.49000 95.54000 0.00000 0.00000 0.00000 2.66000 17.53000 0.00000 -2.21000 0.00000 -0.44000 0.00000 0.00000 67.00000 BUD14_1GCQ-2_2.PDB 19.90000 -42.89000 -10.71000 -68.19000 -1.33000 81.48000 -88.45000 18.16000 36.50000 95.68000 0.00000 0.00000 0.00000 2.59000 17.61000 0.00000 -2.20000 0.00000 -0.74000 0.00000 0.00000 67.00000 BUD14_1GCQ-2_3.PDB 18.84000 -41.45000 -10.32000 -68.00000 -0.94000 79.97000 -88.36000 18.46000 35.46000 94.28000 0.00000 0.00000 0.00000 2.34000 17.48000 0.00000 -2.11000 0.00000 -0.47000 0.00000 0.00000 67.00000 BUD14_1GCQ-2_4.PDB 20.29000 -41.51000 -10.27000 -67.46000 -1.36000 80.47000 -87.29000 16.27000 35.77000 94.88000 0.00000 0.00000 0.00000 3.59000 17.38000 0.00000 -2.03000 0.00000 -0.78000 0.00000 0.00000 67.00000 BUD14_1GCQ-2_5.PDB 18.13000 -42.38000 -11.03000 -67.81000 -1.08000 80.37000 -88.14000 17.63000 35.90000 94.83000 0.00000 0.00000 0.00000 2.47000 17.50000 0.00000 -2.16000 0.00000 -0.47000 0.00000 0.00000 67.00000 BUD14_1GCQ-2_6.PDB 20.35000 -42.03000 -9.84000 -68.33000 -0.93000 80.83000 -88.63000 18.31000 35.80000 95.37000 0.00000 0.00000 0.00000 2.51000 17.59000 0.00000 -2.17000 0.00000 -0.54000 0.00000 0.00000 67.00000 BUD14_1GCQ-2_7.PDB 19.52000 -41.51000 -10.24000 -68.19000 -0.96000 80.57000 -88.48000 15.28000 35.84000 95.36000 0.00000 0.00000 0.00000 4.97000 17.52000 0.00000 -2.39000 0.00000 -0.72000 0.00000 0.00000 67.00000 BUD14_1GCQ-2_8.PDB 20.76000 -41.25000 -9.87000 -68.01000 -1.08000 80.45000 -88.22000 18.25000 35.86000 95.13000 0.00000 0.00000 0.00000 2.74000 17.45000 0.00000 -2.50000 0.00000 -0.73000 0.00000 0.00000 67.00000 BUD14_1GCQ-2_9.PDB 19.56000 -41.59000 -10.20000 -67.92000 -1.10000 81.49000 -87.66000 15.58000 36.51000 94.75000 0.00000 0.00000 0.00000 2.66000 17.98000 0.00000 -2.23000 0.00000 -0.72000 0.00000 0.00000 67.00000 BUD14_1GCQ-2_10.PDB 19.78000 -42.39000 -11.19000 -67.96000 -1.47000 81.22000 -88.02000 16.84000 36.43000 95.62000 0.00000 0.00000 0.00000 3.83000 17.47000 0.00000 -2.46000 0.00000 -0.68000 0.00000 0.00000 67.00000 BUD14_1GCQ-2_11.PDB 18.67000 -41.91000 -9.73000 -67.26000 -1.12000 80.08000 -87.25000 17.22000 35.35000 93.81000 0.00000 0.00000 0.00000 2.16000 17.39000 0.00000 -2.13000 0.00000 -0.54000 0.00000 0.00000 67.00000 BUD14_1GCQ-2_12.PDB 20.11000 -42.25000 -11.22000 -68.16000 -1.44000 81.28000 -88.37000 18.14000 36.53000 95.54000 0.00000 0.00000 0.00000 2.71000 17.52000 0.00000 -2.03000 0.00000 -0.63000 0.00000 0.00000 67.00000 BUD14_1GCQ-2_13.PDB 20.13000 -41.55000 -10.36000 -68.44000 -0.91000 80.76000 -88.73000 18.42000 35.96000 95.47000 0.00000 0.00000 0.00000 2.64000 17.65000 0.00000 -2.42000 0.00000 -0.70000 0.00000 0.00000 67.00000 BUD14_1GCQ-2_14.PDB 18.44000 -41.50000 -10.36000 -68.40000 -0.80000 80.47000 -88.83000 17.75000 35.77000 94.62000 0.00000 0.00000 0.00000 2.32000 17.43000 0.00000 -2.23000 0.00000 -0.36000 0.00000 0.00000 67.00000 BUD14_1GCQ-2_15.PDB 17.32000 -42.18000 -11.73000 -67.23000 -0.92000 80.93000 -87.01000 15.38000 36.01000 94.30000 0.00000 0.00000 0.00000 1.99000 17.72000 0.00000 -1.85000 0.00000 -0.37000 0.00000 0.00000 67.00000 BUD14_1GCQ-2_16.PDB 19.04000 -41.92000 -12.15000 -67.92000 -1.01000 81.76000 -87.66000 16.22000 36.95000 95.50000 0.00000 0.00000 0.00000 2.44000 17.82000 0.00000 -2.52000 0.00000 -0.66000 0.00000 0.00000 67.00000 BUD14_1GCQ-2_17.PDB 17.53000 -42.41000 -12.01000 -67.86000 -1.06000 81.01000 -88.14000 16.40000 36.07000 95.00000 0.00000 0.00000 0.00000 3.25000 17.47000 0.00000 -2.29000 0.00000 -0.43000 0.00000 0.00000 67.00000 BUD14_1GCQ-2_18.PDB 19.81000 -40.74000 -9.34000 -67.65000 -0.85000 80.60000 -87.52000 15.84000 35.67000 94.52000 0.00000 0.00000 0.00000 2.03000 17.72000 0.00000 -2.33000 0.00000 -0.44000 0.00000 0.00000 67.00000 BUD14_1GCQ-2_19.PDB 18.13000 -42.39000 -11.07000 -67.42000 -1.29000 80.39000 -87.58000 14.77000 35.93000 94.81000 0.00000 0.00000 0.00000 4.67000 17.38000 0.00000 -2.21000 0.00000 -0.48000 0.00000 0.00000 67.00000 BUD14_1GCQ-2_20.PDB 20.76000 -42.01000 -9.85000 -67.30000 -1.05000 80.18000 -87.27000 16.74000 35.51000 94.80000 0.00000 0.00000 0.00000 3.57000 17.34000 0.00000 -2.02000 0.00000 -0.53000 0.00000 0.00000 67.00000 BUD14_1GCQ-2_21.PDB 21.06000 -43.22000 -11.04000 -67.95000 -1.14000 81.62000 -87.86000 18.13000 36.52000 95.32000 0.00000 0.00000 0.00000 3.45000 17.78000 0.00000 -2.38000 0.00000 -0.38000 0.00000 0.00000 67.00000 BUD14_1GCQ-2_22.PDB 20.04000 -41.38000 -10.38000 -67.82000 -0.98000 80.30000 -87.90000 17.66000 35.58000 95.09000 0.00000 0.00000 0.00000 2.60000 17.63000 0.00000 -2.11000 0.00000 -0.62000 0.00000 0.00000 67.00000 BUD14_1GCQ-2_23.PDB 19.48000 -41.57000 -12.16000 -67.70000 -0.78000 80.64000 -87.64000 16.41000 36.55000 95.39000 0.00000 0.00000 0.00000 3.35000 17.55000 0.00000 -2.36000 0.00000 -0.63000 0.00000 0.00000 67.00000 BUD14_1GCQ-2_24.PDB 18.18000 -42.34000 -11.06000 -67.81000 -1.24000 80.71000 -87.96000 17.75000 36.06000 94.69000 0.00000 0.00000 0.00000 2.45000 17.40000 0.00000 -2.64000 0.00000 -0.44000 0.00000 0.00000 67.00000 BUD14_1GCQ-2_25.PDB 19.77000 -42.90000 -10.70000 -68.11000 -0.94000 81.43000 -88.37000 16.68000 36.17000 95.68000 0.00000 0.00000 0.00000 3.66000 17.56000 0.00000 -2.31000 0.00000 -0.52000 0.00000 0.00000 67.00000 BUD14_1GCQ-2_26.PDB 20.35000 -42.03000 -11.43000 -68.30000 -1.05000 81.42000 -88.45000 17.81000 36.82000 95.47000 0.00000 0.00000 0.00000 2.60000 17.41000 0.00000 -2.05000 0.00000 -0.46000 0.00000 0.00000 67.00000 BUD14_1GCQ-2_27.PDB 18.87000 -41.48000 -10.47000 -68.28000 -0.88000 80.21000 -88.76000 18.47000 35.73000 94.42000 0.00000 0.00000 0.00000 2.50000 17.44000 0.00000 -2.12000 0.00000 -0.44000 0.00000 0.00000 67.00000 BUD14_1GCQ-2_28.PDB 20.27000 -41.56000 -10.26000 -68.06000 -0.96000 80.47000 -88.27000 15.62000 35.75000 95.25000 0.00000 0.00000 0.00000 4.94000 17.51000 0.00000 -1.95000 0.00000 -0.67000 0.00000 0.00000 67.00000 BUD14_1GCQ-2_29.PDB 17.89000 -41.64000 -12.17000 -68.00000 -0.65000 81.13000 -87.82000 15.88000 36.94000 94.51000 0.00000 0.00000 0.00000 2.29000 17.79000 0.00000 -2.21000 0.00000 -0.37000 0.00000 0.00000 67.00000 BUD14_1GCQ-2_30.PDB 20.90000 -41.22000 -11.73000 -68.30000 -0.79000 80.65000 -88.52000 19.62000 36.42000 94.85000 0.00000 0.00000 0.00000 2.39000 17.73000 0.00000 -1.99000 0.00000 -0.48000 0.00000 0.00000 67.00000