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 PIN3_1CKA-12_1.PDB 7.99000 -36.74000 -8.59000 -61.81000 -2.51000 72.10000 -80.59000 12.92000 30.72000 80.90000 0.00000 0.00000 0.00000 4.15000 16.02000 0.00000 -1.69000 0.00000 -0.87000 0.00000 0.00000 63.00000 PIN3_1CKA-12_2.PDB 7.87000 -37.12000 -8.43000 -60.52000 -0.89000 70.32000 -79.55000 11.96000 29.64000 80.47000 0.00000 0.00000 0.00000 3.38000 15.88000 0.00000 -1.31000 0.00000 -0.08000 0.00000 0.00000 63.00000 PIN3_1CKA-12_3.PDB 6.07000 -37.32000 -9.83000 -61.98000 -2.99000 73.14000 -80.43000 12.40000 31.33000 80.21000 0.00000 0.00000 0.00000 3.96000 15.85000 0.00000 -1.59000 0.00000 -0.83000 0.00000 0.00000 63.00000 PIN3_1CKA-12_4.PDB 6.04000 -37.35000 -8.71000 -60.57000 -0.73000 70.06000 -79.59000 12.12000 29.57000 79.44000 0.00000 0.00000 0.00000 3.17000 15.81000 0.00000 -1.35000 0.00000 0.00000 0.00000 0.00000 63.00000 PIN3_1CKA-12_5.PDB 7.93000 -37.12000 -8.54000 -60.70000 -0.75000 70.86000 -79.58000 11.82000 29.74000 80.56000 0.00000 0.00000 0.00000 3.14000 15.85000 0.00000 -1.45000 0.00000 -0.05000 0.00000 0.00000 63.00000 PIN3_1CKA-12_6.PDB 8.06000 -36.29000 -8.83000 -62.03000 -2.84000 73.16000 -80.70000 12.78000 30.19000 80.90000 0.00000 0.00000 0.00000 3.79000 15.95000 0.00000 -1.20000 0.00000 -0.88000 0.00000 0.00000 63.00000 PIN3_1CKA-12_7.PDB 6.74000 -36.27000 -7.99000 -61.70000 -2.25000 72.11000 -80.41000 12.15000 30.01000 79.44000 0.00000 0.00000 0.00000 3.69000 15.91000 0.00000 -1.32000 0.00000 -0.72000 0.00000 0.00000 63.00000 PIN3_1CKA-12_8.PDB 7.67000 -36.26000 -7.66000 -61.71000 -2.91000 72.50000 -80.58000 12.05000 29.80000 80.86000 0.00000 0.00000 0.00000 3.85000 16.00000 0.00000 -1.36000 0.00000 -0.92000 0.00000 0.00000 63.00000 PIN3_1CKA-12_9.PDB 7.32000 -36.70000 -8.44000 -61.88000 -2.40000 72.68000 -80.54000 12.39000 29.67000 81.04000 0.00000 0.00000 0.00000 3.70000 16.05000 0.00000 -1.31000 0.00000 -0.90000 0.00000 0.00000 63.00000 PIN3_1CKA-12_10.PDB 6.80000 -36.30000 -7.55000 -61.62000 -0.82000 70.15000 -81.68000 12.06000 29.51000 80.63000 0.00000 0.00000 0.00000 3.78000 15.87000 0.00000 -1.24000 0.00000 -0.10000 0.00000 0.00000 63.00000 PIN3_1CKA-12_11.PDB 6.32000 -37.45000 -8.72000 -61.86000 -0.65000 70.51000 -81.74000 13.14000 30.79000 80.04000 0.00000 0.00000 0.00000 3.58000 15.90000 0.00000 -1.33000 0.00000 0.00000 0.00000 0.00000 63.00000 PIN3_1CKA-12_12.PDB 8.17000 -37.46000 -8.84000 -60.11000 -0.91000 70.32000 -78.90000 11.88000 29.57000 80.78000 0.00000 0.00000 0.00000 3.27000 15.87000 0.00000 -1.37000 0.00000 -0.05000 0.00000 0.00000 63.00000 PIN3_1CKA-12_13.PDB 7.65000 -37.49000 -7.16000 -61.85000 -0.51000 70.46000 -81.75000 12.43000 30.21000 80.71000 0.00000 0.00000 0.00000 3.94000 15.92000 0.00000 -1.21000 0.00000 -0.12000 0.00000 0.00000 63.00000 PIN3_1CKA-12_14.PDB 6.15000 -37.55000 -8.90000 -60.66000 -0.89000 70.47000 -79.73000 12.01000 29.94000 79.62000 0.00000 0.00000 0.00000 3.10000 15.78000 0.00000 -1.27000 0.00000 0.00000 0.00000 0.00000 63.00000 PIN3_1CKA-12_15.PDB 5.74000 -36.29000 -9.64000 -61.61000 -2.92000 72.58000 -80.11000 12.50000 29.93000 79.73000 0.00000 0.00000 0.00000 3.60000 15.82000 0.00000 -1.27000 0.00000 -0.76000 0.00000 0.00000 63.00000 PIN3_1CKA-12_16.PDB 5.59000 -36.29000 -8.31000 -61.48000 -2.40000 71.85000 -80.21000 12.36000 29.15000 79.40000 0.00000 0.00000 0.00000 3.85000 15.81000 0.00000 -1.48000 0.00000 -0.87000 0.00000 0.00000 63.00000 PIN3_1CKA-12_17.PDB 6.38000 -37.33000 -8.63000 -60.21000 -0.70000 70.10000 -79.11000 11.83000 29.30000 79.45000 0.00000 0.00000 0.00000 3.15000 15.79000 0.00000 -1.49000 0.00000 0.01000 0.00000 0.00000 63.00000 PIN3_1CKA-12_18.PDB 6.73000 -36.96000 -6.66000 -60.81000 -0.32000 69.76000 -80.12000 12.21000 28.51000 79.03000 0.00000 0.00000 0.00000 3.40000 15.80000 0.00000 -1.20000 0.00000 -0.11000 0.00000 0.00000 63.00000 PIN3_1CKA-12_19.PDB 7.76000 -36.25000 -7.08000 -62.08000 -2.31000 72.58000 -80.99000 12.09000 29.40000 80.78000 0.00000 0.00000 0.00000 3.91000 15.95000 0.00000 -1.27000 0.00000 -1.02000 0.00000 0.00000 63.00000 PIN3_1CKA-12_20.PDB 8.29000 -37.16000 -6.84000 -60.66000 -0.48000 70.01000 -79.89000 12.04000 28.86000 80.41000 0.00000 0.00000 0.00000 3.21000 15.88000 0.00000 -1.08000 0.00000 -0.15000 0.00000 0.00000 63.00000 PIN3_1CKA-12_21.PDB 8.54000 -37.14000 -8.48000 -60.55000 -0.63000 70.97000 -79.44000 11.97000 29.31000 80.46000 0.00000 0.00000 0.00000 3.29000 15.88000 0.00000 -1.20000 0.00000 -0.01000 0.00000 0.00000 63.00000 PIN3_1CKA-12_22.PDB 6.98000 -36.32000 -6.98000 -61.90000 -2.74000 72.09000 -80.64000 12.13000 29.31000 80.57000 0.00000 0.00000 0.00000 3.99000 15.99000 0.00000 -1.52000 0.00000 -1.00000 0.00000 0.00000 63.00000 PIN3_1CKA-12_23.PDB 6.87000 -36.94000 -8.35000 -60.48000 -0.53000 70.61000 -79.48000 11.90000 29.15000 79.25000 0.00000 0.00000 0.00000 3.19000 15.79000 0.00000 -1.46000 0.00000 -0.00000 0.00000 0.00000 63.00000 PIN3_1CKA-12_24.PDB 8.00000 -36.22000 -5.89000 -60.37000 -0.56000 69.10000 -79.87000 12.02000 27.58000 79.89000 0.00000 0.00000 0.00000 3.87000 15.94000 0.00000 -1.35000 0.00000 -0.19000 0.00000 0.00000 63.00000 PIN3_1CKA-12_25.PDB 6.50000 -36.96000 -6.67000 -60.68000 -0.33000 69.60000 -80.03000 12.21000 28.41000 78.98000 0.00000 0.00000 0.00000 3.46000 15.82000 0.00000 -1.41000 0.00000 -0.10000 0.00000 0.00000 63.00000 PIN3_1CKA-12_26.PDB 8.49000 -37.13000 -8.49000 -60.28000 -0.93000 70.70000 -79.09000 11.92000 29.29000 80.50000 0.00000 0.00000 0.00000 3.15000 15.89000 0.00000 -1.13000 0.00000 -0.02000 0.00000 0.00000 63.00000 PIN3_1CKA-12_27.PDB 6.61000 -36.30000 -6.68000 -61.71000 -2.16000 71.53000 -80.58000 12.30000 29.54000 79.19000 0.00000 0.00000 0.00000 3.74000 15.89000 0.00000 -1.43000 0.00000 -0.81000 0.00000 0.00000 63.00000 PIN3_1CKA-12_28.PDB 8.13000 -37.62000 -7.34000 -60.24000 -0.49000 69.97000 -79.22000 12.02000 28.80000 80.67000 0.00000 0.00000 0.00000 3.12000 15.91000 0.00000 -1.41000 0.00000 -0.14000 0.00000 0.00000 63.00000 PIN3_1CKA-12_29.PDB 7.22000 -37.17000 -8.53000 -60.50000 -0.85000 70.00000 -79.68000 11.95000 29.40000 80.30000 0.00000 0.00000 0.00000 3.63000 15.82000 0.00000 -1.30000 0.00000 -0.03000 0.00000 0.00000 63.00000 PIN3_1CKA-12_30.PDB 6.52000 -36.29000 -6.79000 -61.57000 -2.31000 71.53000 -80.35000 12.05000 29.30000 79.25000 0.00000 0.00000 0.00000 3.93000 15.92000 0.00000 -1.40000 0.00000 -0.83000 0.00000 0.00000 63.00000