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-29_1.PDB 7.31000 -45.80000 -15.94000 -69.56000 -2.07000 85.81000 -89.36000 8.65000 40.91000 96.86000 0.00000 0.00000 0.00000 2.18000 18.01000 0.00000 -3.20000 0.00000 -1.16000 0.00000 0.00000 67.00000 BUD14_1GCQ-29_2.PDB 12.85000 -43.24000 -15.79000 -68.38000 -1.95000 83.38000 -88.52000 12.61000 39.94000 97.18000 0.00000 0.00000 0.00000 1.98000 17.99000 0.00000 -3.09000 0.00000 -1.27000 0.00000 0.00000 67.00000 BUD14_1GCQ-29_3.PDB 9.71000 -43.59000 -13.21000 -68.11000 -1.81000 82.65000 -87.84000 8.56000 38.81000 96.67000 0.00000 0.00000 0.00000 1.95000 17.75000 0.00000 -2.95000 0.00000 -1.41000 0.00000 0.00000 67.00000 BUD14_1GCQ-29_4.PDB 6.74000 -44.78000 -14.21000 -69.87000 -2.59000 85.39000 -89.81000 9.07000 39.79000 95.48000 0.00000 0.00000 0.00000 3.21000 18.20000 0.00000 -3.69000 0.00000 -1.26000 0.00000 0.00000 67.00000 BUD14_1GCQ-29_5.PDB 9.82000 -42.46000 -12.02000 -67.57000 -2.04000 80.35000 -87.79000 7.94000 38.68000 96.46000 0.00000 0.00000 0.00000 2.27000 17.60000 0.00000 -2.65000 0.00000 -1.34000 0.00000 0.00000 67.00000 BUD14_1GCQ-29_6.PDB 8.31000 -43.72000 -14.12000 -67.61000 -1.85000 81.14000 -87.38000 7.61000 39.92000 96.09000 0.00000 0.00000 0.00000 2.36000 17.39000 0.00000 -2.69000 0.00000 -1.43000 0.00000 0.00000 67.00000 BUD14_1GCQ-29_7.PDB 8.34000 -44.95000 -14.47000 -68.57000 -2.36000 84.57000 -88.11000 9.19000 39.39000 96.00000 0.00000 0.00000 0.00000 2.05000 17.85000 0.00000 -2.91000 0.00000 -1.48000 0.00000 0.00000 67.00000 BUD14_1GCQ-29_8.PDB 8.27000 -43.92000 -14.88000 -70.04000 -2.79000 85.90000 -89.32000 8.72000 39.84000 96.62000 0.00000 0.00000 0.00000 2.24000 17.99000 0.00000 -2.55000 0.00000 -1.55000 0.00000 0.00000 67.00000 BUD14_1GCQ-29_9.PDB 8.06000 -44.07000 -14.26000 -68.93000 -2.65000 83.77000 -88.34000 8.75000 39.29000 96.30000 0.00000 0.00000 0.00000 2.46000 18.03000 0.00000 -2.89000 0.00000 -1.37000 0.00000 0.00000 67.00000 BUD14_1GCQ-29_10.PDB 11.44000 -44.49000 -14.77000 -69.64000 -1.56000 84.82000 -89.94000 12.87000 40.43000 95.89000 0.00000 0.00000 0.00000 2.12000 18.05000 0.00000 -3.11000 0.00000 -1.17000 0.00000 0.00000 67.00000 BUD14_1GCQ-29_11.PDB 9.43000 -42.91000 -14.21000 -67.43000 -1.79000 80.64000 -86.67000 7.52000 39.73000 96.00000 0.00000 0.00000 0.00000 2.07000 17.55000 0.00000 -2.73000 0.00000 -0.81000 0.00000 0.00000 67.00000 BUD14_1GCQ-29_12.PDB 7.49000 -42.89000 -13.24000 -68.80000 -1.87000 81.76000 -89.12000 7.64000 39.83000 96.38000 0.00000 0.00000 0.00000 2.02000 17.44000 0.00000 -2.86000 0.00000 -1.35000 0.00000 0.00000 67.00000 BUD14_1GCQ-29_13.PDB 9.60000 -44.11000 -14.29000 -67.46000 -1.49000 81.95000 -86.74000 8.43000 39.14000 96.00000 0.00000 0.00000 0.00000 2.18000 17.74000 0.00000 -2.91000 0.00000 -1.11000 0.00000 0.00000 67.00000 BUD14_1GCQ-29_14.PDB 8.20000 -44.89000 -15.12000 -68.99000 -2.48000 85.02000 -88.67000 8.15000 41.00000 95.78000 0.00000 0.00000 0.00000 3.07000 17.91000 0.00000 -3.43000 0.00000 -1.25000 0.00000 0.00000 67.00000 BUD14_1GCQ-29_15.PDB 9.36000 -43.17000 -13.50000 -66.94000 -1.94000 80.51000 -86.54000 7.70000 39.02000 96.30000 0.00000 0.00000 0.00000 1.91000 17.57000 0.00000 -2.54000 0.00000 -1.45000 0.00000 0.00000 67.00000 BUD14_1GCQ-29_16.PDB 9.30000 -44.92000 -15.21000 -69.23000 -2.94000 85.32000 -88.39000 9.44000 40.40000 96.88000 0.00000 0.00000 0.00000 2.26000 18.01000 0.00000 -2.88000 0.00000 -1.43000 0.00000 0.00000 67.00000 BUD14_1GCQ-29_17.PDB 9.39000 -43.95000 -14.32000 -67.67000 -1.54000 82.24000 -87.17000 7.55000 40.06000 96.24000 0.00000 0.00000 0.00000 1.95000 17.47000 0.00000 -2.79000 0.00000 -1.21000 0.00000 0.00000 67.00000 BUD14_1GCQ-29_18.PDB 8.44000 -44.70000 -14.66000 -68.26000 -1.84000 82.90000 -87.71000 8.70000 39.89000 96.22000 0.00000 0.00000 0.00000 2.29000 17.72000 0.00000 -2.97000 0.00000 -1.40000 0.00000 0.00000 67.00000 BUD14_1GCQ-29_19.PDB 9.60000 -44.86000 -14.38000 -67.75000 -2.31000 82.85000 -87.18000 8.72000 39.51000 96.97000 0.00000 0.00000 0.00000 2.09000 17.62000 0.00000 -2.75000 0.00000 -1.33000 0.00000 0.00000 67.00000 BUD14_1GCQ-29_20.PDB 11.42000 -44.21000 -13.95000 -70.63000 -2.00000 85.50000 -91.22000 13.76000 39.46000 96.89000 0.00000 0.00000 0.00000 2.02000 18.34000 0.00000 -3.10000 0.00000 -1.09000 0.00000 0.00000 67.00000 BUD14_1GCQ-29_21.PDB 9.56000 -44.43000 -15.02000 -68.39000 -1.52000 83.72000 -87.95000 8.61000 39.25000 96.69000 0.00000 0.00000 0.00000 2.13000 17.84000 0.00000 -2.32000 0.00000 -1.22000 0.00000 0.00000 67.00000 BUD14_1GCQ-29_22.PDB 8.47000 -44.59000 -14.94000 -67.47000 -1.96000 82.65000 -86.81000 8.62000 40.02000 95.12000 0.00000 0.00000 0.00000 2.04000 17.57000 0.00000 -2.83000 0.00000 -1.38000 0.00000 0.00000 67.00000 BUD14_1GCQ-29_23.PDB 11.79000 -43.91000 -14.14000 -70.18000 -2.04000 84.76000 -90.42000 12.45000 40.28000 96.51000 0.00000 0.00000 0.00000 2.25000 18.13000 0.00000 -3.06000 0.00000 -0.72000 0.00000 0.00000 67.00000 BUD14_1GCQ-29_24.PDB 9.16000 -42.82000 -13.21000 -67.15000 -1.74000 80.26000 -86.86000 7.59000 39.34000 95.41000 0.00000 0.00000 0.00000 1.98000 17.51000 0.00000 -2.48000 0.00000 -1.16000 0.00000 0.00000 67.00000 BUD14_1GCQ-29_25.PDB 9.01000 -44.33000 -14.57000 -67.88000 -2.06000 82.76000 -87.48000 9.41000 39.32000 96.02000 0.00000 0.00000 0.00000 2.03000 17.69000 0.00000 -2.89000 0.00000 -1.31000 0.00000 0.00000 67.00000 BUD14_1GCQ-29_26.PDB 8.86000 -43.65000 -13.27000 -67.25000 -1.61000 81.13000 -86.89000 7.54000 39.35000 95.39000 0.00000 0.00000 0.00000 2.26000 17.45000 0.00000 -2.85000 0.00000 -1.30000 0.00000 0.00000 67.00000 BUD14_1GCQ-29_27.PDB 11.67000 -43.18000 -14.28000 -70.40000 -2.22000 84.50000 -90.63000 12.37000 40.24000 96.70000 0.00000 0.00000 0.00000 2.17000 18.15000 0.00000 -2.97000 0.00000 -0.61000 0.00000 0.00000 67.00000 BUD14_1GCQ-29_28.PDB 8.58000 -42.87000 -13.98000 -68.43000 -0.73000 80.69000 -88.39000 7.79000 39.42000 95.98000 0.00000 0.00000 0.00000 2.26000 17.33000 0.00000 -2.56000 0.00000 -0.58000 0.00000 0.00000 67.00000 BUD14_1GCQ-29_29.PDB 9.32000 -44.17000 -14.30000 -68.04000 -2.04000 82.63000 -87.92000 8.69000 39.14000 96.90000 0.00000 0.00000 0.00000 2.26000 17.80000 0.00000 -2.66000 0.00000 -1.18000 0.00000 0.00000 67.00000 BUD14_1GCQ-29_30.PDB 7.32000 -45.27000 -16.34000 -68.47000 -2.44000 85.18000 -87.91000 8.72000 40.37000 96.06000 0.00000 0.00000 0.00000 2.70000 17.84000 0.00000 -3.94000 0.00000 -1.33000 0.00000 0.00000 67.00000