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_1YNZ-23_1.PDB -4.84000 -45.97000 -15.04000 -67.45000 -1.42000 83.05000 -88.19000 8.37000 36.47000 85.89000 0.00000 0.00000 0.00000 2.36000 17.50000 0.00000 -2.85000 0.00000 -0.06000 0.00000 0.00000 64.00000 PIN3_1YNZ-23_2.PDB -5.58000 -45.97000 -15.02000 -67.96000 -1.41000 83.33000 -89.02000 8.05000 36.78000 85.88000 0.00000 0.00000 0.00000 2.70000 17.64000 0.00000 -2.88000 0.00000 -0.06000 0.00000 0.00000 64.00000 PIN3_1YNZ-23_3.PDB -5.13000 -46.42000 -15.53000 -67.56000 -1.65000 83.19000 -88.31000 7.80000 37.18000 86.87000 0.00000 0.00000 0.00000 2.71000 17.62000 0.00000 -3.15000 0.00000 -0.27000 0.00000 0.00000 64.00000 PIN3_1YNZ-23_4.PDB -4.99000 -46.03000 -15.09000 -67.85000 -1.67000 83.64000 -88.66000 8.15000 36.88000 86.68000 0.00000 0.00000 0.00000 2.29000 17.55000 0.00000 -3.02000 0.00000 -0.30000 0.00000 0.00000 64.00000 PIN3_1YNZ-23_5.PDB -5.76000 -46.58000 -15.69000 -67.76000 -1.52000 83.71000 -88.44000 8.36000 37.29000 85.65000 0.00000 0.00000 0.00000 2.24000 17.53000 0.00000 -2.89000 0.00000 -0.13000 0.00000 0.00000 64.00000 PIN3_1YNZ-23_6.PDB -4.98000 -46.56000 -15.64000 -67.20000 -1.73000 83.02000 -87.85000 7.95000 37.06000 86.63000 0.00000 0.00000 0.00000 2.61000 17.61000 0.00000 -2.97000 0.00000 -0.29000 0.00000 0.00000 64.00000 PIN3_1YNZ-23_7.PDB -4.71000 -45.83000 -15.48000 -67.40000 -1.55000 83.27000 -88.03000 8.02000 36.87000 86.52000 0.00000 0.00000 0.00000 2.40000 17.49000 0.00000 -3.33000 0.00000 -0.18000 0.00000 0.00000 64.00000 PIN3_1YNZ-23_8.PDB -4.35000 -45.95000 -15.01000 -67.75000 -1.50000 83.61000 -88.48000 8.26000 36.55000 86.64000 0.00000 0.00000 0.00000 2.36000 17.55000 0.00000 -2.96000 0.00000 -0.12000 0.00000 0.00000 64.00000 PIN3_1YNZ-23_9.PDB -5.10000 -46.53000 -15.60000 -67.78000 -1.62000 83.92000 -88.43000 7.93000 37.32000 86.47000 0.00000 0.00000 0.00000 2.54000 17.54000 0.00000 -3.06000 0.00000 -0.25000 0.00000 0.00000 64.00000 PIN3_1YNZ-23_10.PDB -5.34000 -46.02000 -15.34000 -67.36000 -2.37000 83.48000 -87.81000 8.15000 37.05000 85.90000 0.00000 0.00000 0.00000 2.36000 17.52000 0.00000 -2.74000 0.00000 -0.64000 0.00000 0.00000 64.00000 PIN3_1YNZ-23_11.PDB -4.92000 -46.83000 -15.90000 -67.92000 -1.58000 83.78000 -88.63000 7.90000 38.09000 86.76000 0.00000 0.00000 0.00000 2.31000 17.73000 0.00000 -2.77000 0.00000 -0.14000 0.00000 0.00000 64.00000 PIN3_1YNZ-23_12.PDB -4.80000 -46.30000 -15.49000 -67.43000 -1.68000 82.36000 -88.29000 7.91000 37.59000 87.65000 0.00000 0.00000 0.00000 2.42000 17.83000 0.00000 -3.18000 0.00000 -0.36000 0.00000 0.00000 64.00000 PIN3_1YNZ-23_13.PDB -4.52000 -46.81000 -15.87000 -68.35000 -1.53000 84.21000 -89.15000 8.91000 37.81000 86.82000 0.00000 0.00000 0.00000 2.46000 17.75000 0.00000 -2.84000 0.00000 -0.18000 0.00000 0.00000 64.00000 PIN3_1YNZ-23_14.PDB -5.83000 -45.96000 -15.30000 -67.68000 -2.39000 83.77000 -88.26000 8.19000 37.22000 85.82000 0.00000 0.00000 0.00000 2.29000 17.56000 0.00000 -2.88000 0.00000 -0.65000 0.00000 0.00000 64.00000 PIN3_1YNZ-23_15.PDB -5.35000 -46.49000 -15.86000 -67.19000 -2.56000 83.29000 -87.64000 7.98000 37.62000 86.79000 0.00000 0.00000 0.00000 2.39000 17.57000 0.00000 -2.86000 0.00000 -0.81000 0.00000 0.00000 64.00000 PIN3_1YNZ-23_16.PDB -5.66000 -46.48000 -15.84000 -67.68000 -2.54000 83.85000 -88.22000 7.86000 37.66000 87.16000 0.00000 0.00000 0.00000 2.51000 17.67000 0.00000 -3.13000 0.00000 -0.84000 0.00000 0.00000 64.00000 PIN3_1YNZ-23_17.PDB -4.59000 -46.75000 -15.82000 -68.38000 -1.72000 84.19000 -89.16000 7.92000 38.07000 87.96000 0.00000 0.00000 0.00000 2.51000 17.90000 0.00000 -3.02000 0.00000 -0.39000 0.00000 0.00000 64.00000 PIN3_1YNZ-23_18.PDB -4.97000 -45.80000 -14.83000 -67.65000 -1.50000 83.10000 -88.57000 7.99000 36.58000 86.47000 0.00000 0.00000 0.00000 2.13000 17.76000 0.00000 -2.71000 0.00000 -0.19000 0.00000 0.00000 64.00000 PIN3_1YNZ-23_19.PDB -4.38000 -46.25000 -15.46000 -67.44000 -1.48000 82.55000 -88.18000 8.37000 37.41000 86.80000 0.00000 0.00000 0.00000 2.64000 17.83000 0.00000 -3.16000 0.00000 -0.18000 0.00000 0.00000 64.00000 PIN3_1YNZ-23_20.PDB -6.16000 -46.58000 -15.88000 -67.51000 -2.42000 83.84000 -87.94000 8.15000 37.67000 85.62000 0.00000 0.00000 0.00000 2.43000 17.62000 0.00000 -2.84000 0.00000 -0.70000 0.00000 0.00000 64.00000 PIN3_1YNZ-23_21.PDB -4.46000 -45.88000 -15.59000 -67.69000 -1.27000 83.37000 -88.64000 9.03000 36.89000 86.01000 0.00000 0.00000 0.00000 2.36000 17.55000 0.00000 -2.98000 0.00000 -0.06000 0.00000 0.00000 64.00000 PIN3_1YNZ-23_22.PDB -4.59000 -45.94000 -15.04000 -68.09000 -1.48000 83.51000 -89.10000 8.20000 36.88000 86.75000 0.00000 0.00000 0.00000 2.76000 17.64000 0.00000 -2.88000 0.00000 -0.17000 0.00000 0.00000 64.00000 PIN3_1YNZ-23_23.PDB -3.03000 -45.89000 -14.98000 -66.79000 -1.53000 82.63000 -87.48000 7.97000 36.33000 87.33000 0.00000 0.00000 0.00000 2.46000 17.68000 0.00000 -2.66000 0.00000 -0.41000 0.00000 0.00000 64.00000 PIN3_1YNZ-23_24.PDB -5.07000 -46.50000 -15.79000 -67.27000 -2.59000 84.09000 -87.51000 7.33000 37.72000 86.51000 0.00000 0.00000 0.00000 2.62000 17.36000 0.00000 -2.79000 0.00000 -0.89000 0.00000 0.00000 64.00000 PIN3_1YNZ-23_25.PDB -4.02000 -47.09000 -16.29000 -67.52000 -1.77000 83.33000 -87.98000 7.91000 38.46000 87.77000 0.00000 0.00000 0.00000 2.53000 17.76000 0.00000 -3.11000 0.00000 -0.25000 0.00000 0.00000 64.00000 PIN3_1YNZ-23_26.PDB -4.73000 -45.76000 -14.85000 -67.55000 -1.28000 83.34000 -88.33000 8.29000 36.36000 85.80000 0.00000 0.00000 0.00000 2.18000 17.59000 0.00000 -2.88000 0.00000 -0.06000 0.00000 0.00000 64.00000 PIN3_1YNZ-23_27.PDB -3.11000 -45.89000 -14.99000 -67.01000 -1.52000 82.82000 -87.72000 7.87000 36.37000 87.68000 0.00000 0.00000 0.00000 2.31000 17.64000 0.00000 -2.65000 0.00000 -0.38000 0.00000 0.00000 64.00000 PIN3_1YNZ-23_28.PDB -4.76000 -45.81000 -14.91000 -67.74000 -1.51000 83.51000 -88.75000 7.87000 36.67000 86.81000 0.00000 0.00000 0.00000 2.43000 17.53000 0.00000 -3.06000 0.00000 -0.28000 0.00000 0.00000 64.00000 PIN3_1YNZ-23_29.PDB -4.80000 -46.79000 -16.44000 -67.80000 -1.46000 83.57000 -88.53000 8.41000 37.80000 87.67000 0.00000 0.00000 0.00000 2.26000 17.83000 0.00000 -3.30000 0.00000 -0.19000 0.00000 0.00000 64.00000 PIN3_1YNZ-23_30.PDB -4.31000 -45.90000 -15.00000 -67.59000 -1.52000 83.27000 -88.33000 8.41000 36.64000 86.42000 0.00000 0.00000 0.00000 2.34000 17.63000 0.00000 -2.86000 0.00000 -0.20000 0.00000 0.00000 64.00000