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-25_1.PDB -6.01000 -46.91000 -19.07000 -69.64000 -4.09000 89.11000 -88.73000 6.59000 41.53000 88.05000 0.00000 0.00000 0.00000 1.96000 16.73000 0.00000 -2.82000 0.00000 -1.99000 0.00000 0.00000 66.00000 PIN3_1YNZ-25_2.PDB -6.75000 -47.71000 -18.03000 -69.52000 -3.36000 87.45000 -88.52000 6.09000 40.98000 87.91000 0.00000 0.00000 0.00000 2.15000 16.88000 0.00000 -2.78000 0.00000 -1.41000 0.00000 0.00000 66.00000 PIN3_1YNZ-25_3.PDB -6.94000 -47.76000 -19.25000 -69.67000 -3.88000 88.69000 -88.81000 6.84000 41.40000 88.03000 0.00000 0.00000 0.00000 1.98000 16.73000 0.00000 -2.83000 0.00000 -1.68000 0.00000 0.00000 66.00000 PIN3_1YNZ-25_4.PDB -5.74000 -46.85000 -18.36000 -69.52000 -3.88000 89.21000 -88.39000 6.16000 40.24000 88.67000 0.00000 0.00000 0.00000 1.80000 16.85000 0.00000 -2.83000 0.00000 -2.00000 0.00000 0.00000 66.00000 PIN3_1YNZ-25_5.PDB -6.38000 -48.52000 -19.29000 -69.60000 -3.49000 89.40000 -88.59000 6.34000 41.22000 89.13000 0.00000 0.00000 0.00000 1.88000 16.90000 0.00000 -3.20000 0.00000 -1.67000 0.00000 0.00000 66.00000 PIN3_1YNZ-25_6.PDB -6.07000 -48.61000 -19.74000 -70.18000 -3.62000 90.57000 -88.79000 6.38000 41.26000 89.21000 0.00000 0.00000 0.00000 1.95000 16.91000 0.00000 -2.83000 0.00000 -1.67000 0.00000 0.00000 66.00000 PIN3_1YNZ-25_7.PDB -4.62000 -48.48000 -19.36000 -69.10000 -3.90000 89.66000 -87.37000 6.63000 40.90000 88.70000 0.00000 0.00000 0.00000 2.10000 16.77000 0.00000 -2.76000 0.00000 -1.65000 0.00000 0.00000 66.00000 PIN3_1YNZ-25_8.PDB -4.73000 -47.64000 -18.73000 -69.21000 -4.01000 89.08000 -87.46000 6.49000 40.35000 88.80000 0.00000 0.00000 0.00000 2.05000 16.82000 0.00000 -2.76000 0.00000 -1.68000 0.00000 0.00000 66.00000 PIN3_1YNZ-25_9.PDB -5.46000 -48.52000 -19.39000 -69.39000 -3.92000 89.36000 -87.97000 6.32000 41.42000 88.96000 0.00000 0.00000 0.00000 2.31000 16.66000 0.00000 -2.97000 0.00000 -1.66000 0.00000 0.00000 66.00000 PIN3_1YNZ-25_10.PDB -5.25000 -47.65000 -18.70000 -69.63000 -3.82000 89.42000 -88.57000 6.87000 40.28000 88.94000 0.00000 0.00000 0.00000 1.80000 16.90000 0.00000 -2.54000 0.00000 -1.65000 0.00000 0.00000 66.00000 PIN3_1YNZ-25_11.PDB -5.78000 -48.59000 -19.41000 -69.97000 -3.78000 89.48000 -88.97000 7.35000 41.47000 89.28000 0.00000 0.00000 0.00000 1.90000 16.92000 0.00000 -2.89000 0.00000 -1.65000 0.00000 0.00000 66.00000 PIN3_1YNZ-25_12.PDB -7.11000 -48.05000 -19.18000 -70.14000 -4.01000 89.93000 -89.33000 7.33000 40.51000 87.72000 0.00000 0.00000 0.00000 1.92000 16.96000 0.00000 -2.44000 0.00000 -1.37000 0.00000 0.00000 66.00000 PIN3_1YNZ-25_13.PDB -6.58000 -48.95000 -19.27000 -70.32000 -3.83000 90.38000 -89.26000 6.26000 41.57000 89.15000 0.00000 0.00000 0.00000 1.99000 16.93000 0.00000 -2.76000 0.00000 -1.55000 0.00000 0.00000 66.00000 PIN3_1YNZ-25_14.PDB -6.94000 -49.06000 -17.86000 -70.38000 -3.75000 89.88000 -89.78000 6.91000 41.58000 88.08000 0.00000 0.00000 0.00000 1.81000 16.78000 0.00000 -3.08000 0.00000 -1.29000 0.00000 0.00000 66.00000 PIN3_1YNZ-25_15.PDB -7.87000 -49.05000 -19.07000 -70.19000 -3.85000 89.57000 -89.44000 7.03000 41.40000 87.93000 0.00000 0.00000 0.00000 1.66000 16.93000 0.00000 -2.52000 0.00000 -1.31000 0.00000 0.00000 66.00000 PIN3_1YNZ-25_16.PDB -6.35000 -47.66000 -18.61000 -69.79000 -3.73000 89.57000 -88.80000 6.78000 40.61000 87.86000 0.00000 0.00000 0.00000 1.87000 16.73000 0.00000 -2.83000 0.00000 -1.62000 0.00000 0.00000 66.00000 PIN3_1YNZ-25_17.PDB -6.43000 -46.76000 -18.04000 -69.42000 -4.39000 88.73000 -88.92000 6.27000 40.96000 87.88000 0.00000 0.00000 0.00000 1.99000 16.71000 0.00000 -2.86000 0.00000 -1.89000 0.00000 0.00000 66.00000 PIN3_1YNZ-25_18.PDB -5.89000 -47.75000 -19.35000 -69.65000 -3.81000 89.24000 -88.70000 7.09000 41.51000 87.93000 0.00000 0.00000 0.00000 1.99000 16.72000 0.00000 -2.70000 0.00000 -1.69000 0.00000 0.00000 66.00000 PIN3_1YNZ-25_19.PDB -7.35000 -48.61000 -19.30000 -69.72000 -3.71000 89.22000 -88.57000 6.26000 41.53000 87.99000 0.00000 0.00000 0.00000 2.20000 16.76000 0.00000 -3.00000 0.00000 -1.64000 0.00000 0.00000 66.00000 PIN3_1YNZ-25_20.PDB -6.59000 -48.51000 -17.61000 -69.06000 -3.42000 88.34000 -88.28000 6.18000 40.73000 87.87000 0.00000 0.00000 0.00000 1.66000 16.88000 0.00000 -3.08000 0.00000 -1.40000 0.00000 0.00000 66.00000 PIN3_1YNZ-25_21.PDB -6.14000 -48.58000 -19.67000 -69.83000 -3.59000 89.72000 -88.81000 7.61000 41.34000 87.91000 0.00000 0.00000 0.00000 1.86000 16.92000 0.00000 -2.67000 0.00000 -1.44000 0.00000 0.00000 66.00000 PIN3_1YNZ-25_22.PDB -4.50000 -48.20000 -16.97000 -69.57000 -3.02000 89.60000 -88.51000 7.25000 39.68000 87.50000 0.00000 0.00000 0.00000 1.75000 16.82000 0.00000 -2.85000 0.00000 -1.16000 0.00000 0.00000 66.00000 PIN3_1YNZ-25_23.PDB -7.97000 -49.73000 -20.32000 -69.84000 -3.65000 90.17000 -88.49000 6.31000 41.66000 87.96000 0.00000 0.00000 0.00000 1.90000 16.91000 0.00000 -2.77000 0.00000 -1.15000 0.00000 0.00000 66.00000 PIN3_1YNZ-25_24.PDB -7.22000 -48.47000 -19.64000 -69.33000 -3.53000 89.09000 -88.02000 6.54000 40.63000 87.64000 0.00000 0.00000 0.00000 1.89000 16.66000 0.00000 -2.63000 0.00000 -1.40000 0.00000 0.00000 66.00000 PIN3_1YNZ-25_25.PDB -7.25000 -46.86000 -18.49000 -69.65000 -4.04000 88.94000 -88.44000 5.97000 40.44000 87.74000 0.00000 0.00000 0.00000 1.92000 16.80000 0.00000 -2.84000 0.00000 -1.94000 0.00000 0.00000 66.00000 PIN3_1YNZ-25_26.PDB -6.88000 -46.83000 -19.42000 -69.65000 -4.16000 89.34000 -88.80000 6.14000 41.30000 87.97000 0.00000 0.00000 0.00000 1.88000 16.67000 0.00000 -2.64000 0.00000 -2.00000 0.00000 0.00000 66.00000 PIN3_1YNZ-25_27.PDB -7.27000 -48.51000 -19.10000 -69.59000 -3.69000 89.20000 -88.42000 6.18000 41.24000 87.90000 0.00000 0.00000 0.00000 1.93000 16.84000 0.00000 -2.81000 0.00000 -1.61000 0.00000 0.00000 66.00000 PIN3_1YNZ-25_28.PDB -5.31000 -47.59000 -18.87000 -69.15000 -3.85000 87.98000 -88.02000 6.03000 41.53000 88.86000 0.00000 0.00000 0.00000 2.19000 16.59000 0.00000 -2.84000 0.00000 -1.58000 0.00000 0.00000 66.00000 PIN3_1YNZ-25_29.PDB -4.93000 -47.74000 -18.38000 -69.45000 -3.47000 87.68000 -88.32000 6.62000 41.04000 88.89000 0.00000 0.00000 0.00000 2.41000 16.84000 0.00000 -2.78000 0.00000 -1.44000 0.00000 0.00000 66.00000 PIN3_1YNZ-25_30.PDB -4.23000 -48.40000 -16.77000 -68.62000 -2.31000 87.45000 -88.16000 6.03000 39.60000 88.24000 0.00000 0.00000 0.00000 2.41000 16.88000 0.00000 -2.95000 0.00000 -0.76000 0.00000 0.00000 66.00000