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-21_1.PDB 19.09000 -39.18000 -7.00000 -66.74000 -2.30000 80.08000 -86.95000 17.38000 30.89000 89.46000 0.00000 0.00000 0.00000 6.41000 23.25000 0.00000 -2.05000 0.00000 -0.93000 0.00000 0.00000 65.00000 PIN3_1CKA-21_2.PDB 20.37000 -39.88000 -7.36000 -65.93000 -1.34000 79.15000 -85.55000 20.49000 30.58000 89.03000 0.00000 0.00000 0.00000 3.89000 23.28000 0.00000 -2.10000 0.00000 -0.61000 0.00000 0.00000 65.00000 PIN3_1CKA-21_3.PDB 19.04000 -40.70000 -6.99000 -67.57000 -2.43000 82.07000 -87.38000 17.59000 31.55000 89.93000 0.00000 0.00000 0.00000 5.89000 23.58000 0.00000 -1.84000 0.00000 -1.09000 0.00000 0.00000 65.00000 PIN3_1CKA-21_4.PDB 19.60000 -41.13000 -8.91000 -67.42000 -2.13000 81.93000 -87.29000 18.51000 32.02000 90.36000 0.00000 0.00000 0.00000 6.81000 23.61000 0.00000 -2.31000 0.00000 -0.84000 0.00000 0.00000 65.00000 PIN3_1CKA-21_5.PDB 19.97000 -39.34000 -6.88000 -67.28000 -1.95000 81.72000 -87.14000 18.32000 31.06000 89.45000 0.00000 0.00000 0.00000 5.13000 23.53000 0.00000 -2.11000 0.00000 -0.99000 0.00000 0.00000 65.00000 PIN3_1CKA-21_6.PDB 19.58000 -39.08000 -7.84000 -68.00000 -2.97000 81.76000 -87.93000 20.18000 32.15000 90.25000 0.00000 0.00000 0.00000 5.54000 23.52000 0.00000 -2.67000 0.00000 -1.81000 0.00000 0.00000 65.00000 PIN3_1CKA-21_7.PDB 18.28000 -39.19000 -7.05000 -67.30000 -2.28000 80.22000 -87.55000 17.25000 31.18000 89.83000 0.00000 0.00000 0.00000 6.05000 23.29000 0.00000 -2.08000 0.00000 -0.80000 0.00000 0.00000 65.00000 PIN3_1CKA-21_8.PDB 19.44000 -40.26000 -7.43000 -66.99000 -1.93000 80.22000 -87.27000 18.56000 31.44000 89.81000 0.00000 0.00000 0.00000 6.42000 23.29000 0.00000 -2.21000 0.00000 -0.93000 0.00000 0.00000 65.00000 PIN3_1CKA-21_9.PDB 20.00000 -39.87000 -6.10000 -65.72000 -1.41000 79.17000 -85.05000 19.66000 30.04000 88.80000 0.00000 0.00000 0.00000 3.49000 23.38000 0.00000 -2.20000 0.00000 -0.82000 0.00000 0.00000 65.00000 PIN3_1CKA-21_10.PDB 19.50000 -39.10000 -6.59000 -67.93000 -2.11000 80.71000 -88.42000 18.96000 31.47000 89.38000 0.00000 0.00000 0.00000 5.84000 23.52000 0.00000 -1.88000 0.00000 -0.82000 0.00000 0.00000 65.00000 PIN3_1CKA-21_11.PDB 18.26000 -39.40000 -8.51000 -67.30000 -1.91000 81.39000 -87.13000 17.22000 32.07000 89.46000 0.00000 0.00000 0.00000 5.46000 23.45000 0.00000 -2.11000 0.00000 -0.97000 0.00000 0.00000 65.00000 PIN3_1CKA-21_12.PDB 20.59000 -38.64000 -5.63000 -65.18000 -1.42000 78.53000 -84.58000 19.09000 29.56000 88.34000 0.00000 0.00000 0.00000 3.19000 23.28000 0.00000 -2.10000 0.00000 -0.56000 0.00000 0.00000 65.00000 PIN3_1CKA-21_13.PDB 22.85000 -38.57000 -7.15000 -65.65000 -1.28000 79.29000 -85.27000 21.82000 30.35000 88.63000 0.00000 0.00000 0.00000 3.49000 23.46000 0.00000 -2.26000 0.00000 -0.55000 0.00000 0.00000 65.00000 PIN3_1CKA-21_14.PDB 18.91000 -39.18000 -7.11000 -66.34000 -2.83000 80.45000 -86.19000 17.61000 31.45000 89.37000 0.00000 0.00000 0.00000 5.55000 23.00000 0.00000 -2.45000 0.00000 -1.43000 0.00000 0.00000 65.00000 PIN3_1CKA-21_15.PDB 19.38000 -39.90000 -4.47000 -64.89000 -0.99000 77.74000 -84.41000 19.08000 28.03000 88.71000 0.00000 0.00000 0.00000 3.21000 23.18000 0.00000 -2.23000 0.00000 -0.49000 0.00000 0.00000 65.00000 PIN3_1CKA-21_16.PDB 21.07000 -39.41000 -8.17000 -65.97000 -1.54000 80.15000 -85.33000 20.13000 31.77000 88.89000 0.00000 0.00000 0.00000 4.08000 23.56000 0.00000 -2.59000 0.00000 -0.94000 0.00000 0.00000 65.00000 PIN3_1CKA-21_17.PDB 21.20000 -40.12000 -6.89000 -65.98000 -1.48000 79.39000 -85.76000 21.84000 30.21000 89.21000 0.00000 0.00000 0.00000 4.21000 23.60000 0.00000 -2.46000 0.00000 -0.98000 0.00000 0.00000 65.00000 PIN3_1CKA-21_18.PDB 19.06000 -40.50000 -9.23000 -66.12000 -1.11000 79.95000 -85.64000 19.31000 31.59000 89.53000 0.00000 0.00000 0.00000 4.12000 23.52000 0.00000 -2.28000 0.00000 -0.56000 0.00000 0.00000 65.00000 PIN3_1CKA-21_19.PDB 19.06000 -39.41000 -5.59000 -67.17000 -1.73000 80.43000 -87.35000 18.14000 30.22000 89.53000 0.00000 0.00000 0.00000 4.87000 23.54000 0.00000 -2.10000 0.00000 -0.78000 0.00000 0.00000 65.00000 PIN3_1CKA-21_20.PDB 21.87000 -38.55000 -7.17000 -65.89000 -1.22000 78.97000 -85.38000 21.12000 30.41000 88.41000 0.00000 0.00000 0.00000 3.56000 23.28000 0.00000 -1.91000 0.00000 -0.48000 0.00000 0.00000 65.00000 PIN3_1CKA-21_21.PDB 19.19000 -37.78000 -7.82000 -67.31000 -2.80000 81.58000 -87.09000 16.75000 31.74000 89.12000 0.00000 0.00000 0.00000 6.43000 23.45000 0.00000 -2.09000 0.00000 -1.56000 0.00000 0.00000 65.00000 PIN3_1CKA-21_22.PDB 18.43000 -39.85000 -7.40000 -67.40000 -1.89000 81.35000 -87.27000 17.47000 31.57000 89.48000 0.00000 0.00000 0.00000 5.46000 23.34000 0.00000 -2.12000 0.00000 -0.97000 0.00000 0.00000 65.00000 PIN3_1CKA-21_23.PDB 18.34000 -39.37000 -7.97000 -67.47000 -1.91000 81.14000 -87.45000 17.07000 31.99000 89.70000 0.00000 0.00000 0.00000 5.45000 23.36000 0.00000 -2.01000 0.00000 -0.84000 0.00000 0.00000 65.00000 PIN3_1CKA-21_24.PDB 17.34000 -41.46000 -7.68000 -67.75000 -1.87000 82.13000 -87.46000 16.59000 32.15000 90.78000 0.00000 0.00000 0.00000 5.47000 23.81000 0.00000 -2.40000 0.00000 -1.14000 0.00000 0.00000 65.00000 PIN3_1CKA-21_25.PDB 18.26000 -41.15000 -7.37000 -67.75000 -1.71000 81.30000 -87.90000 17.88000 31.83000 90.34000 0.00000 0.00000 0.00000 5.68000 23.61000 0.00000 -2.09000 0.00000 -0.79000 0.00000 0.00000 65.00000 PIN3_1CKA-21_26.PDB 17.78000 -41.32000 -5.86000 -67.55000 -1.59000 81.05000 -87.66000 17.25000 30.96000 90.47000 0.00000 0.00000 0.00000 5.03000 23.79000 0.00000 -2.28000 0.00000 -0.71000 0.00000 0.00000 65.00000 PIN3_1CKA-21_27.PDB 17.85000 -40.70000 -6.94000 -67.43000 -2.02000 81.09000 -87.17000 16.87000 32.18000 89.70000 0.00000 0.00000 0.00000 5.30000 23.51000 0.00000 -1.92000 0.00000 -1.12000 0.00000 0.00000 65.00000 PIN3_1CKA-21_28.PDB 17.09000 -39.07000 -5.35000 -67.38000 -2.14000 79.95000 -87.80000 17.35000 30.33000 89.63000 0.00000 0.00000 0.00000 5.35000 23.36000 0.00000 -2.52000 0.00000 -1.26000 0.00000 0.00000 65.00000 PIN3_1CKA-21_29.PDB 21.50000 -39.12000 -5.37000 -67.01000 -2.34000 81.01000 -86.44000 16.86000 30.94000 90.90000 0.00000 0.00000 0.00000 5.16000 22.97000 0.00000 -1.98000 0.00000 -1.12000 0.00000 0.00000 65.00000 PIN3_1CKA-21_30.PDB 17.36000 -39.11000 -6.65000 -67.45000 -2.07000 80.33000 -87.69000 16.79000 31.12000 89.45000 0.00000 0.00000 0.00000 5.86000 23.46000 0.00000 -2.25000 0.00000 -0.97000 0.00000 0.00000 65.00000