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_1CKB-23_1.PDB 2.80000 -41.82000 -15.28000 -65.39000 -0.55000 77.75000 -85.87000 8.73000 35.88000 89.47000 0.00000 0.00000 0.00000 1.55000 20.49000 0.00000 -1.66000 0.00000 -0.03000 0.00000 0.00000 64.00000 BUD14_1CKB-23_2.PDB 2.07000 -41.78000 -16.20000 -66.13000 -0.56000 78.61000 -86.86000 8.88000 36.41000 89.79000 0.00000 0.00000 0.00000 1.61000 20.62000 0.00000 -1.65000 0.00000 -0.03000 0.00000 0.00000 64.00000 BUD14_1CKB-23_3.PDB 2.32000 -41.80000 -15.30000 -65.92000 -0.61000 78.17000 -86.74000 8.78000 36.35000 89.46000 0.00000 0.00000 0.00000 1.62000 20.43000 0.00000 -1.66000 0.00000 -0.03000 0.00000 0.00000 64.00000 BUD14_1CKB-23_4.PDB 2.14000 -41.79000 -16.23000 -65.50000 -0.58000 78.01000 -85.96000 8.84000 36.13000 89.39000 0.00000 0.00000 0.00000 1.54000 20.58000 0.00000 -1.68000 0.00000 -0.02000 0.00000 0.00000 64.00000 BUD14_1CKB-23_5.PDB 1.88000 -40.89000 -14.35000 -65.64000 -0.71000 77.57000 -86.22000 7.99000 36.13000 87.97000 0.00000 0.00000 0.00000 1.74000 20.49000 0.00000 -1.66000 0.00000 -0.05000 0.00000 0.00000 64.00000 BUD14_1CKB-23_6.PDB 1.58000 -40.95000 -15.28000 -66.26000 -0.71000 78.46000 -86.92000 8.18000 36.54000 88.36000 0.00000 0.00000 0.00000 1.80000 20.67000 0.00000 -1.61000 0.00000 -0.04000 0.00000 0.00000 64.00000 BUD14_1CKB-23_7.PDB 3.92000 -40.98000 -14.26000 -66.03000 -0.61000 78.32000 -86.61000 8.75000 36.30000 89.16000 0.00000 0.00000 0.00000 1.58000 20.53000 0.00000 -1.66000 0.00000 -0.04000 0.00000 0.00000 64.00000 BUD14_1CKB-23_8.PDB 1.71000 -40.63000 -14.10000 -65.61000 -0.69000 77.56000 -86.30000 8.02000 35.84000 87.68000 0.00000 0.00000 0.00000 1.74000 20.44000 0.00000 -1.75000 0.00000 -0.07000 0.00000 0.00000 64.00000 BUD14_1CKB-23_9.PDB 3.29000 -41.78000 -16.30000 -66.05000 -0.55000 78.64000 -86.63000 8.83000 36.53000 90.63000 0.00000 0.00000 0.00000 1.70000 20.63000 0.00000 -1.70000 0.00000 -0.03000 0.00000 0.00000 64.00000 BUD14_1CKB-23_10.PDB 1.47000 -40.98000 -15.49000 -65.76000 -0.71000 77.91000 -86.21000 8.38000 36.31000 88.03000 0.00000 0.00000 0.00000 1.66000 20.67000 0.00000 -1.61000 0.00000 -0.05000 0.00000 0.00000 64.00000 BUD14_1CKB-23_11.PDB 2.63000 -42.66000 -17.43000 -66.50000 -0.61000 80.09000 -86.53000 8.92000 37.54000 89.90000 0.00000 0.00000 0.00000 1.78000 20.59000 0.00000 -1.92000 0.00000 0.06000 0.00000 0.00000 64.00000 BUD14_1CKB-23_12.PDB 2.38000 -40.61000 -14.07000 -66.75000 -0.72000 78.84000 -87.82000 7.98000 36.47000 89.07000 0.00000 0.00000 0.00000 1.94000 20.63000 0.00000 -1.61000 0.00000 -0.33000 0.00000 0.00000 64.00000 BUD14_1CKB-23_13.PDB 3.68000 -41.79000 -15.24000 -65.62000 -0.59000 78.11000 -86.22000 8.75000 36.02000 90.30000 0.00000 0.00000 0.00000 1.65000 20.47000 0.00000 -1.65000 0.00000 -0.05000 0.00000 0.00000 64.00000 BUD14_1CKB-23_14.PDB 2.96000 -41.72000 -16.23000 -65.93000 -0.59000 78.37000 -86.54000 8.73000 36.55000 90.48000 0.00000 0.00000 0.00000 1.73000 20.63000 0.00000 -1.70000 0.00000 -0.21000 0.00000 0.00000 64.00000 BUD14_1CKB-23_15.PDB 2.43000 -41.36000 -14.82000 -65.72000 -0.53000 77.36000 -86.54000 7.89000 36.52000 89.70000 0.00000 0.00000 0.00000 1.70000 20.48000 0.00000 -1.69000 0.00000 -0.08000 0.00000 0.00000 64.00000 BUD14_1CKB-23_16.PDB 3.32000 -41.81000 -16.37000 -65.85000 -0.57000 78.52000 -86.31000 9.16000 36.23000 90.31000 0.00000 0.00000 0.00000 1.71000 20.65000 0.00000 -1.67000 0.00000 -0.03000 0.00000 0.00000 64.00000 BUD14_1CKB-23_17.PDB 4.19000 -42.56000 -17.61000 -66.21000 -0.54000 80.07000 -86.35000 9.78000 37.66000 89.96000 0.00000 0.00000 0.00000 1.70000 20.44000 0.00000 -1.80000 0.00000 0.09000 0.00000 0.00000 64.00000 BUD14_1CKB-23_18.PDB 2.58000 -41.81000 -15.26000 -66.94000 -0.62000 79.11000 -87.73000 8.87000 37.63000 89.24000 0.00000 0.00000 0.00000 1.79000 20.76000 0.00000 -1.65000 0.00000 -0.05000 0.00000 0.00000 64.00000 BUD14_1CKB-23_19.PDB 2.00000 -41.56000 -15.97000 -65.84000 -0.57000 78.07000 -86.30000 8.25000 36.96000 89.09000 0.00000 0.00000 0.00000 1.60000 20.60000 0.00000 -1.68000 0.00000 -0.05000 0.00000 0.00000 64.00000 BUD14_1CKB-23_20.PDB 2.19000 -42.57000 -16.99000 -66.60000 -0.56000 79.20000 -87.26000 7.68000 37.58000 90.83000 0.00000 0.00000 0.00000 2.40000 20.54000 0.00000 -1.45000 0.00000 -0.08000 0.00000 0.00000 64.00000 BUD14_1CKB-23_21.PDB 1.81000 -40.99000 -16.03000 -66.35000 -0.62000 78.92000 -86.76000 8.10000 37.23000 88.13000 0.00000 0.00000 0.00000 1.79000 20.54000 0.00000 -1.59000 0.00000 -0.03000 0.00000 0.00000 64.00000 BUD14_1CKB-23_22.PDB 2.78000 -41.88000 -18.05000 -66.60000 -0.48000 79.46000 -86.96000 9.08000 37.62000 90.49000 0.00000 0.00000 0.00000 1.91000 20.72000 0.00000 -1.74000 0.00000 -0.07000 0.00000 0.00000 64.00000 BUD14_1CKB-23_23.PDB 2.27000 -41.06000 -16.18000 -65.96000 -0.73000 78.24000 -86.57000 7.91000 37.28000 89.75000 0.00000 0.00000 0.00000 1.57000 20.49000 0.00000 -1.71000 0.00000 -0.29000 0.00000 0.00000 64.00000 BUD14_1CKB-23_24.PDB 3.06000 -40.59000 -13.99000 -65.88000 -0.68000 77.97000 -86.57000 7.88000 36.03000 88.90000 0.00000 0.00000 0.00000 1.68000 20.54000 0.00000 -1.62000 0.00000 -0.07000 0.00000 0.00000 64.00000 BUD14_1CKB-23_25.PDB 3.40000 -40.91000 -15.53000 -65.54000 -0.67000 78.14000 -85.81000 8.84000 36.20000 88.67000 0.00000 0.00000 0.00000 1.83000 20.69000 0.00000 -1.64000 0.00000 -0.20000 0.00000 0.00000 64.00000 BUD14_1CKB-23_26.PDB 3.34000 -41.80000 -16.32000 -65.96000 -0.61000 78.56000 -86.41000 8.79000 36.63000 90.56000 0.00000 0.00000 0.00000 1.67000 20.69000 0.00000 -1.72000 0.00000 -0.07000 0.00000 0.00000 64.00000 BUD14_1CKB-23_27.PDB 1.22000 -41.58000 -16.59000 -66.14000 -0.70000 78.29000 -86.81000 8.04000 37.92000 88.91000 0.00000 0.00000 0.00000 1.53000 20.58000 0.00000 -1.61000 0.00000 -0.04000 0.00000 0.00000 64.00000 BUD14_1CKB-23_28.PDB 2.45000 -42.61000 -16.14000 -66.61000 -0.53000 78.84000 -87.53000 8.77000 37.51000 90.82000 0.00000 0.00000 0.00000 1.63000 20.60000 0.00000 -1.66000 0.00000 -0.06000 0.00000 0.00000 64.00000 BUD14_1CKB-23_29.PDB 2.39000 -42.41000 -16.92000 -65.92000 -0.56000 78.33000 -86.45000 9.09000 36.88000 90.38000 0.00000 0.00000 0.00000 1.69000 20.67000 0.00000 -1.67000 0.00000 -0.04000 0.00000 0.00000 64.00000 BUD14_1CKB-23_30.PDB 2.23000 -42.66000 -17.64000 -66.15000 -0.64000 79.48000 -86.22000 8.84000 37.52000 89.80000 0.00000 0.00000 0.00000 1.80000 20.62000 0.00000 -1.96000 0.00000 0.06000 0.00000 0.00000 64.00000