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 BUD14_1GCQ-12_1.PDB 1.95942 -7.12000 -0.54000 -0.43000 -4.76000 -0.23000 2.71000 -7.43000 0.29000 2.61000 1.10000 0.00000 0.00000 0.00000 0.00000 0.43000 0.00000 -0.12000 0.00000 -0.31000 0.00000 2.38000 65.00000 BUD14_1GCQ-12_2.PDB 2.61183 -6.12000 -0.46000 -0.36000 -5.21000 -0.15000 3.46000 -8.00000 1.05000 2.72000 1.15000 0.00000 0.00000 0.00000 0.01000 0.40000 0.00000 -0.14000 0.00000 -0.18000 0.00000 2.38000 65.00000 BUD14_1GCQ-12_3.PDB 2.61565 -6.21000 -0.51000 -0.38000 -5.19000 -0.23000 3.08000 -8.06000 1.19000 2.94000 1.26000 0.00000 0.00000 0.00000 0.10000 0.50000 0.00000 -0.10000 0.00000 -0.31000 0.00000 2.38000 65.00000 BUD14_1GCQ-12_4.PDB 1.48481 -5.82000 -0.54000 -0.42000 -5.45000 -0.22000 3.65000 -8.23000 1.90000 2.91000 1.21000 0.00000 0.00000 0.00000 0.00000 0.40000 0.00000 -0.33000 0.00000 -0.30000 0.00000 2.38000 65.00000 BUD14_1GCQ-12_5.PDB 1.77758 -7.35000 -0.52000 -0.42000 -4.72000 -0.15000 2.52000 -7.44000 0.16000 2.51000 1.00000 0.00000 0.00000 0.00000 0.00000 0.33000 0.00000 -0.11000 0.00000 -0.17000 0.00000 2.38000 65.00000 BUD14_1GCQ-12_6.PDB 2.09528 -5.84000 -0.54000 -0.40000 -4.89000 -0.22000 2.69000 -7.65000 1.88000 2.64000 1.13000 0.00000 0.00000 0.00000 0.00000 0.43000 0.00000 -0.20000 0.00000 -0.26000 0.00000 2.38000 65.00000 BUD14_1GCQ-12_7.PDB 3.04194 -7.61000 -0.52000 -0.41000 -6.17000 -0.19000 4.10000 -9.48000 0.39000 3.65000 1.37000 0.00000 0.00000 0.00000 0.07000 0.71000 0.00000 -0.16000 0.00000 -0.24000 0.00000 2.38000 65.00000 BUD14_1GCQ-12_8.PDB 1.65581 -7.31000 -0.53000 -0.42000 -6.28000 -0.19000 4.09000 -9.55000 1.36000 3.45000 1.32000 0.00000 0.00000 0.00000 0.03000 0.73000 0.00000 -0.34000 0.00000 -0.25000 0.00000 2.38000 65.00000 BUD14_1GCQ-12_9.PDB 2.63214 -7.17000 -0.53000 -0.40000 -4.67000 -0.18000 2.55000 -7.36000 0.23000 2.49000 0.97000 0.00000 0.00000 0.00000 0.00000 0.37000 0.00000 -0.07000 0.00000 -0.21000 0.00000 2.38000 65.00000 BUD14_1GCQ-12_10.PDB 2.19397 -5.49000 -0.52000 -0.40000 -5.21000 -0.09000 3.29000 -7.98000 1.89000 2.66000 1.09000 0.00000 0.00000 0.00000 0.01000 0.38000 0.00000 -0.13000 0.00000 -0.10000 0.00000 2.38000 65.00000 BUD14_1GCQ-12_11.PDB 2.50373 -7.29000 -0.52000 -0.42000 -5.19000 -0.18000 3.39000 -8.00000 0.19000 2.84000 1.14000 0.00000 0.00000 0.00000 0.00000 0.31000 0.00000 -0.32000 0.00000 -0.22000 0.00000 2.38000 65.00000 BUD14_1GCQ-12_12.PDB 2.99688 -7.71000 -0.52000 -0.39000 -6.03000 -0.17000 3.92000 -9.30000 0.28000 3.65000 1.20000 0.00000 0.00000 0.00000 0.13000 0.70000 0.00000 -0.30000 0.00000 -0.20000 0.00000 2.38000 65.00000 BUD14_1GCQ-12_13.PDB 2.89629 -6.99000 -0.50000 -0.38000 -4.85000 -0.23000 2.89000 -7.63000 0.07000 2.86000 1.13000 0.00000 0.00000 0.00000 0.14000 0.44000 0.00000 -0.19000 0.00000 -0.29000 0.00000 2.38000 65.00000 BUD14_1GCQ-12_14.PDB 1.58835 -6.36000 -0.51000 -0.40000 -5.07000 -0.17000 2.84000 -7.94000 1.18000 2.83000 1.25000 0.00000 0.00000 0.00000 0.02000 0.50000 0.00000 -0.18000 0.00000 -0.21000 0.00000 2.38000 65.00000 BUD14_1GCQ-12_15.PDB 2.51261 -7.05000 -0.52000 -0.41000 -6.46000 -0.14000 4.24000 -9.89000 1.30000 3.75000 1.40000 0.00000 0.00000 0.00000 0.07000 0.77000 0.00000 -0.25000 0.00000 -0.16000 0.00000 2.38000 65.00000 BUD14_1GCQ-12_16.PDB 2.08283 -7.27000 -0.53000 -0.42000 -5.98000 -0.20000 3.90000 -9.14000 1.04000 3.46000 1.13000 0.00000 0.00000 0.00000 0.02000 0.67000 0.00000 -0.30000 0.00000 -0.24000 0.00000 2.38000 65.00000 BUD14_1GCQ-12_17.PDB 2.48365 -7.31000 -0.48000 -0.36000 -6.52000 -0.08000 4.19000 -9.90000 1.38000 3.34000 1.40000 0.00000 0.00000 0.00000 0.03000 0.89000 0.00000 -0.25000 0.00000 -0.06000 0.00000 2.38000 65.00000 BUD14_1GCQ-12_18.PDB 2.78012 -6.56000 -0.52000 -0.39000 -4.78000 -0.22000 2.63000 -7.51000 1.07000 2.62000 1.03000 0.00000 0.00000 0.00000 0.01000 0.45000 0.00000 -0.21000 0.00000 -0.29000 0.00000 2.38000 65.00000 BUD14_1GCQ-12_19.PDB 2.30979 -6.85000 -0.59000 -0.42000 -4.90000 -0.18000 2.70000 -7.58000 1.36000 2.52000 0.67000 0.00000 0.00000 0.00000 0.01000 0.42000 0.00000 -0.24000 0.00000 -0.21000 0.00000 2.38000 65.00000 BUD14_1GCQ-12_20.PDB 2.89829 -7.95000 -0.52000 -0.40000 -6.06000 -0.18000 3.87000 -9.41000 0.29000 3.68000 1.22000 0.00000 0.00000 0.00000 0.07000 0.72000 0.00000 -0.30000 0.00000 -0.22000 0.00000 2.38000 65.00000 BUD14_1GCQ-12_21.PDB 2.41823 -5.84000 -0.51000 -0.39000 -5.58000 -0.10000 3.83000 -8.49000 1.28000 3.09000 1.27000 0.00000 0.00000 0.00000 0.11000 0.43000 0.00000 -0.24000 0.00000 -0.09000 0.00000 2.38000 65.00000 BUD14_1GCQ-12_22.PDB 2.49765 -6.16000 -0.51000 -0.39000 -5.54000 -0.22000 3.69000 -8.51000 1.24000 3.16000 1.24000 0.00000 0.00000 0.00000 0.12000 0.41000 0.00000 -0.19000 0.00000 -0.26000 0.00000 2.38000 65.00000 BUD14_1GCQ-12_23.PDB 2.33068 -7.44000 -0.56000 -0.44000 -6.04000 -0.23000 3.91000 -9.32000 0.26000 3.54000 1.75000 0.00000 0.00000 0.00000 0.12000 0.82000 0.00000 -0.13000 0.00000 -0.29000 0.00000 2.38000 65.00000 BUD14_1GCQ-12_24.PDB 1.81996 -6.16000 -0.51000 -0.40000 -5.47000 -0.17000 3.60000 -8.39000 1.19000 3.10000 1.24000 0.00000 0.00000 0.00000 0.11000 0.44000 0.00000 -0.27000 0.00000 -0.19000 0.00000 2.38000 65.00000 BUD14_1GCQ-12_25.PDB 1.55775 -6.38000 -0.54000 -0.42000 -5.19000 -0.13000 3.21000 -7.95000 1.22000 2.68000 1.09000 0.00000 0.00000 0.00000 0.01000 0.43000 0.00000 -0.21000 0.00000 -0.14000 0.00000 2.38000 65.00000 BUD14_1GCQ-12_26.PDB 2.11007 -7.17000 -0.54000 -0.42000 -6.04000 -0.05000 3.85000 -9.25000 1.01000 3.33000 1.18000 0.00000 0.00000 0.00000 0.05000 0.68000 0.00000 -0.27000 0.00000 -0.01000 0.00000 2.38000 65.00000 BUD14_1GCQ-12_27.PDB 2.14049 -6.32000 -0.51000 -0.39000 -4.93000 -0.11000 2.73000 -7.71000 1.26000 2.50000 1.14000 0.00000 0.00000 0.00000 0.01000 0.43000 0.00000 -0.18000 0.00000 -0.11000 0.00000 2.38000 65.00000 BUD14_1GCQ-12_28.PDB 1.92581 -6.59000 -0.52000 -0.42000 -4.56000 -0.21000 2.54000 -7.17000 0.79000 2.46000 0.95000 0.00000 0.00000 0.00000 0.01000 0.36000 0.00000 -0.20000 0.00000 -0.26000 0.00000 2.38000 65.00000 BUD14_1GCQ-12_29.PDB 2.98123 -7.44000 -0.52000 -0.42000 -6.16000 -0.08000 4.04000 -9.40000 0.79000 3.43000 1.32000 0.00000 0.00000 0.00000 0.02000 0.77000 0.00000 -0.40000 0.00000 -0.05000 0.00000 2.38000 65.00000 BUD14_1GCQ-12_30.PDB 1.68540 -7.09000 -0.51000 -0.42000 -4.72000 -0.19000 2.68000 -7.41000 0.34000 2.49000 1.08000 0.00000 0.00000 0.00000 0.00000 0.44000 0.00000 -0.19000 0.00000 -0.22000 0.00000 2.38000 65.00000