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_1ZX6-9_1.PDB -7.44000 -43.82000 -10.75000 -67.36000 -0.98000 81.41000 -87.96000 4.36000 35.16000 83.27000 0.00000 0.00000 0.00000 2.15000 17.44000 0.00000 -3.04000 0.00000 0.11000 0.00000 0.00000 64.00000 PIN3_1ZX6-9_2.PDB -3.22000 -44.43000 -11.35000 -66.57000 -0.59000 82.78000 -86.08000 4.54000 34.83000 84.27000 0.00000 0.00000 0.00000 2.15000 17.43000 0.00000 -3.14000 0.00000 0.37000 0.00000 0.00000 64.00000 PIN3_1ZX6-9_3.PDB -7.51000 -43.05000 -10.46000 -67.03000 -0.97000 80.78000 -87.62000 4.09000 34.40000 83.21000 0.00000 0.00000 0.00000 2.36000 17.39000 0.00000 -3.03000 0.00000 -0.17000 0.00000 0.00000 64.00000 PIN3_1ZX6-9_4.PDB -4.25000 -44.53000 -11.43000 -66.07000 -1.07000 82.01000 -85.82000 3.58000 35.32000 84.65000 0.00000 0.00000 0.00000 2.50000 17.31000 0.00000 -3.65000 0.00000 0.25000 0.00000 0.00000 64.00000 PIN3_1ZX6-9_5.PDB -7.69000 -43.85000 -10.76000 -67.95000 -1.05000 81.84000 -88.80000 4.88000 35.59000 83.25000 0.00000 0.00000 0.00000 2.16000 17.46000 0.00000 -3.09000 0.00000 0.11000 0.00000 0.00000 64.00000 PIN3_1ZX6-9_6.PDB -4.48000 -44.52000 -11.42000 -66.87000 -0.69000 82.48000 -86.97000 4.15000 35.64000 84.69000 0.00000 0.00000 0.00000 2.31000 17.37000 0.00000 -3.63000 0.00000 0.35000 0.00000 0.00000 64.00000 PIN3_1ZX6-9_7.PDB -2.94000 -43.92000 -11.98000 -65.42000 -0.85000 81.99000 -84.82000 3.37000 34.67000 84.85000 0.00000 0.00000 0.00000 2.52000 17.24000 0.00000 -3.60000 0.00000 0.25000 0.00000 0.00000 64.00000 PIN3_1ZX6-9_8.PDB -7.16000 -43.85000 -10.73000 -66.71000 -0.92000 81.00000 -86.96000 4.25000 34.65000 83.08000 0.00000 0.00000 0.00000 2.02000 17.37000 0.00000 -3.01000 0.00000 0.04000 0.00000 0.00000 64.00000 PIN3_1ZX6-9_9.PDB -7.68000 -43.90000 -11.38000 -67.38000 -0.94000 81.19000 -87.89000 4.76000 35.52000 83.60000 0.00000 0.00000 0.00000 1.93000 17.41000 0.00000 -3.07000 0.00000 -0.12000 0.00000 0.00000 64.00000 PIN3_1ZX6-9_10.PDB -4.96000 -44.45000 -11.33000 -65.81000 -0.71000 81.61000 -85.53000 3.31000 34.84000 84.49000 0.00000 0.00000 0.00000 1.85000 17.32000 0.00000 -3.54000 0.00000 0.32000 0.00000 0.00000 64.00000 PIN3_1ZX6-9_11.PDB -2.42000 -44.51000 -11.27000 -66.66000 -0.81000 83.34000 -86.18000 5.51000 35.09000 84.23000 0.00000 0.00000 0.00000 1.64000 17.33000 0.00000 -3.16000 0.00000 0.35000 0.00000 0.00000 64.00000 PIN3_1ZX6-9_12.PDB -7.04000 -43.04000 -10.45000 -67.93000 -0.95000 81.76000 -88.71000 5.27000 35.01000 83.30000 0.00000 0.00000 0.00000 1.79000 17.56000 0.00000 -3.03000 0.00000 -0.05000 0.00000 0.00000 64.00000 PIN3_1ZX6-9_13.PDB -3.02000 -44.52000 -11.43000 -66.08000 -1.04000 82.76000 -85.41000 4.72000 34.70000 84.22000 0.00000 0.00000 0.00000 2.01000 17.32000 0.00000 -3.21000 0.00000 0.26000 0.00000 0.00000 64.00000 PIN3_1ZX6-9_14.PDB -7.57000 -43.07000 -10.42000 -66.55000 -1.27000 80.51000 -86.95000 4.37000 34.06000 83.04000 0.00000 0.00000 0.00000 1.77000 17.34000 0.00000 -2.99000 0.00000 -0.07000 0.00000 0.00000 64.00000 PIN3_1ZX6-9_15.PDB -7.60000 -43.04000 -10.53000 -66.09000 -1.39000 80.22000 -86.35000 3.97000 34.07000 82.97000 0.00000 0.00000 0.00000 1.87000 17.27000 0.00000 -3.01000 0.00000 -0.29000 0.00000 0.00000 64.00000 PIN3_1ZX6-9_16.PDB -1.82000 -43.04000 -10.40000 -66.04000 -0.87000 82.07000 -85.42000 5.46000 34.21000 83.68000 0.00000 0.00000 0.00000 1.57000 17.31000 0.00000 -3.36000 0.00000 0.31000 0.00000 0.00000 64.00000 PIN3_1ZX6-9_17.PDB -3.33000 -44.50000 -11.42000 -66.13000 -1.44000 82.83000 -85.45000 4.67000 35.10000 84.03000 0.00000 0.00000 0.00000 1.92000 17.31000 0.00000 -3.07000 0.00000 0.14000 0.00000 0.00000 64.00000 PIN3_1ZX6-9_18.PDB -3.20000 -43.69000 -11.21000 -65.21000 -1.14000 81.23000 -84.75000 3.99000 34.41000 84.28000 0.00000 0.00000 0.00000 2.38000 17.23000 0.00000 -3.70000 0.00000 0.21000 0.00000 0.00000 64.00000 PIN3_1ZX6-9_19.PDB -6.55000 -43.03000 -10.36000 -66.82000 -1.29000 80.84000 -87.20000 5.70000 34.31000 82.81000 0.00000 0.00000 0.00000 1.45000 17.31000 0.00000 -2.86000 0.00000 -0.10000 0.00000 0.00000 64.00000 PIN3_1ZX6-9_20.PDB -2.17000 -43.67000 -11.06000 -65.77000 -1.25000 82.57000 -84.98000 4.81000 34.38000 83.86000 0.00000 0.00000 0.00000 1.71000 17.25000 0.00000 -3.00000 0.00000 0.22000 0.00000 0.00000 64.00000 PIN3_1ZX6-9_21.PDB -6.94000 -43.04000 -10.43000 -67.10000 -1.45000 81.22000 -87.44000 5.47000 34.77000 82.85000 0.00000 0.00000 0.00000 1.47000 17.47000 0.00000 -2.98000 0.00000 -0.29000 0.00000 0.00000 64.00000 PIN3_1ZX6-9_22.PDB -7.60000 -43.06000 -10.52000 -66.29000 -1.32000 80.36000 -86.53000 4.09000 34.04000 83.00000 0.00000 0.00000 0.00000 1.88000 17.32000 0.00000 -3.08000 0.00000 -0.18000 0.00000 0.00000 64.00000 PIN3_1ZX6-9_23.PDB -6.80000 -43.02000 -10.42000 -66.37000 -1.34000 80.39000 -86.63000 5.40000 34.13000 82.66000 0.00000 0.00000 0.00000 1.55000 17.30000 0.00000 -2.94000 0.00000 -0.21000 0.00000 0.00000 64.00000 PIN3_1ZX6-9_24.PDB -4.43000 -44.52000 -11.43000 -65.55000 -1.17000 81.54000 -85.14000 4.04000 34.92000 84.28000 0.00000 0.00000 0.00000 2.01000 17.26000 0.00000 -3.63000 0.00000 0.22000 0.00000 0.00000 64.00000 PIN3_1ZX6-9_25.PDB -6.71000 -43.81000 -11.22000 -67.56000 -0.88000 81.72000 -87.98000 4.34000 35.32000 84.59000 0.00000 0.00000 0.00000 1.98000 17.40000 0.00000 -3.16000 0.00000 -0.04000 0.00000 0.00000 64.00000 PIN3_1ZX6-9_26.PDB -3.99000 -45.10000 -12.00000 -66.11000 -0.78000 82.38000 -85.61000 2.99000 35.82000 85.53000 0.00000 0.00000 0.00000 2.24000 17.27000 0.00000 -3.61000 0.00000 0.26000 0.00000 0.00000 64.00000 PIN3_1ZX6-9_27.PDB -7.05000 -43.83000 -10.73000 -67.28000 -1.21000 81.56000 -87.73000 4.29000 35.25000 83.57000 0.00000 0.00000 0.00000 2.12000 17.46000 0.00000 -3.05000 0.00000 -0.02000 0.00000 0.00000 64.00000 PIN3_1ZX6-9_28.PDB -6.38000 -43.87000 -11.33000 -67.01000 -0.97000 81.22000 -87.30000 4.06000 35.20000 84.49000 0.00000 0.00000 0.00000 2.52000 17.39000 0.00000 -3.18000 0.00000 -0.21000 0.00000 0.00000 64.00000 PIN3_1ZX6-9_29.PDB -3.44000 -45.29000 -12.19000 -66.52000 -0.91000 83.49000 -85.62000 3.69000 35.89000 85.16000 0.00000 0.00000 0.00000 1.99000 17.33000 0.00000 -3.36000 0.00000 0.23000 0.00000 0.00000 64.00000 PIN3_1ZX6-9_30.PDB -4.24000 -44.43000 -11.39000 -65.49000 -0.82000 81.24000 -85.02000 3.15000 34.70000 84.67000 0.00000 0.00000 0.00000 2.40000 17.30000 0.00000 -3.49000 0.00000 0.23000 0.00000 0.00000 64.00000