name Intraclash total energy Backbone Hbond 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-1_1.PDB 2.24189 -8.19000 -2.87000 -4.30000 -8.26000 -2.16000 9.75000 -9.93000 1.56000 6.84000 3.11000 0.00000 0.00000 0.00000 0.28000 0.53000 0.00000 -0.84000 0.00000 -1.38000 0.00000 2.38000 67.00000 PIN3_1YNZ-1_2.PDB 2.27344 -9.46000 -4.22000 -6.80000 -9.13000 -2.34000 11.46000 -10.15000 1.52000 8.61000 3.46000 0.00000 0.00000 0.00000 0.30000 0.63000 0.00000 -0.70000 0.00000 -1.49000 0.00000 2.38000 67.00000 PIN3_1YNZ-1_3.PDB 2.09946 -7.68000 -1.47000 -4.37000 -8.68000 -2.79000 9.40000 -10.35000 2.79000 6.59000 2.67000 0.00000 0.00000 0.00000 0.31000 0.65000 0.00000 -0.41000 0.00000 -1.38000 0.00000 2.38000 67.00000 PIN3_1YNZ-1_4.PDB 2.37699 -9.51000 -3.04000 -4.04000 -9.69000 -3.96000 11.76000 -10.89000 1.59000 7.85000 3.13000 0.00000 0.00000 0.00000 0.53000 0.71000 0.00000 -0.64000 0.00000 -2.10000 0.00000 2.38000 67.00000 PIN3_1YNZ-1_5.PDB 2.56578 -9.46000 -1.48000 -4.45000 -8.54000 -2.62000 9.05000 -10.45000 1.70000 6.37000 2.56000 0.00000 0.00000 0.00000 0.25000 0.54000 0.00000 -0.52000 0.00000 -1.32000 0.00000 2.38000 67.00000 PIN3_1YNZ-1_6.PDB 2.32545 -9.16000 -1.45000 -3.81000 -8.18000 -2.67000 8.69000 -10.02000 1.66000 6.06000 2.44000 0.00000 0.00000 0.00000 0.34000 0.58000 0.00000 -0.71000 0.00000 -1.50000 0.00000 2.38000 67.00000 PIN3_1YNZ-1_7.PDB 2.00874 -8.48000 -2.94000 -3.96000 -8.78000 -2.33000 9.50000 -10.39000 1.53000 7.30000 3.29000 0.00000 0.00000 0.00000 0.39000 0.66000 0.00000 -0.67000 0.00000 -1.42000 0.00000 2.38000 67.00000 PIN3_1YNZ-1_8.PDB 2.33273 -6.98000 -2.09000 -2.57000 -8.50000 -2.66000 9.13000 -10.12000 1.47000 6.86000 2.99000 0.00000 0.00000 0.00000 0.37000 0.51000 0.00000 -0.52000 0.00000 -1.35000 0.00000 2.38000 67.00000 PIN3_1YNZ-1_9.PDB 2.29538 -8.87000 -2.17000 -5.00000 -8.40000 -2.59000 9.25000 -10.04000 1.62000 7.12000 2.82000 0.00000 0.00000 0.00000 0.38000 0.57000 0.00000 -0.47000 0.00000 -1.39000 0.00000 2.38000 67.00000 PIN3_1YNZ-1_10.PDB 2.70765 -8.31000 -1.49000 -4.22000 -8.08000 -2.79000 8.84000 -9.59000 1.78000 6.24000 2.73000 0.00000 0.00000 0.00000 0.24000 0.62000 0.00000 -0.36000 0.00000 -1.59000 0.00000 2.38000 67.00000 PIN3_1YNZ-1_11.PDB 2.44639 -9.47000 -2.28000 -5.11000 -8.57000 -2.65000 9.46000 -10.15000 1.45000 7.31000 2.79000 0.00000 0.00000 0.00000 0.28000 0.61000 0.00000 -0.51000 0.00000 -1.49000 0.00000 2.38000 67.00000 PIN3_1YNZ-1_12.PDB 2.41309 -10.04000 -1.95000 -4.56000 -8.07000 -2.48000 8.83000 -9.87000 0.99000 6.18000 2.76000 0.00000 0.00000 0.00000 0.32000 0.41000 0.00000 -0.79000 0.00000 -1.40000 0.00000 2.38000 67.00000 PIN3_1YNZ-1_13.PDB 2.36016 -9.75000 -1.51000 -4.49000 -7.86000 -2.53000 8.58000 -9.82000 0.95000 5.64000 2.72000 0.00000 0.00000 0.00000 0.29000 0.41000 0.00000 -0.39000 0.00000 -1.33000 0.00000 2.38000 67.00000 PIN3_1YNZ-1_14.PDB 2.44840 -10.96000 -3.51000 -5.57000 -9.79000 -3.98000 12.35000 -10.80000 1.56000 8.33000 2.85000 0.00000 0.00000 0.00000 0.41000 0.69000 0.00000 -0.55000 0.00000 -2.26000 0.00000 2.38000 67.00000 PIN3_1YNZ-1_15.PDB 2.50035 -9.10000 -1.49000 -4.26000 -8.18000 -2.80000 8.85000 -9.97000 1.54000 6.32000 2.70000 0.00000 0.00000 0.00000 0.37000 0.53000 0.00000 -0.57000 0.00000 -1.60000 0.00000 2.38000 67.00000 PIN3_1YNZ-1_16.PDB 2.55868 -10.05000 -2.19000 -4.71000 -8.04000 -2.54000 8.86000 -9.75000 0.80000 6.38000 2.76000 0.00000 0.00000 0.00000 0.30000 0.53000 0.00000 -0.63000 0.00000 -1.31000 0.00000 2.38000 67.00000 PIN3_1YNZ-1_17.PDB 2.20111 -9.87000 -1.74000 -6.39000 -8.14000 -2.64000 10.49000 -9.82000 0.78000 6.70000 2.63000 0.00000 0.00000 0.00000 0.38000 0.57000 0.00000 -0.46000 0.00000 -1.66000 0.00000 2.38000 67.00000 PIN3_1YNZ-1_18.PDB 2.35184 -10.29000 -2.07000 -3.12000 -9.64000 -3.95000 11.20000 -10.92000 1.53000 6.74000 2.04000 0.00000 0.00000 0.00000 0.41000 0.87000 0.00000 -0.36000 0.00000 -2.18000 0.00000 2.38000 67.00000 PIN3_1YNZ-1_19.PDB 2.53288 -8.62000 -1.49000 -4.44000 -7.88000 -2.63000 8.63000 -9.53000 1.46000 6.07000 2.70000 0.00000 0.00000 0.00000 0.36000 0.46000 0.00000 -0.38000 0.00000 -1.49000 0.00000 2.38000 67.00000 PIN3_1YNZ-1_20.PDB 2.43199 -10.35000 -2.81000 -3.71000 -8.76000 -2.61000 10.31000 -10.36000 0.74000 6.21000 2.77000 0.00000 0.00000 0.00000 0.51000 0.68000 0.00000 -0.95000 0.00000 -1.68000 0.00000 2.38000 67.00000 PIN3_1YNZ-1_21.PDB 2.60592 -9.23000 -3.17000 -4.96000 -8.64000 -2.35000 9.67000 -10.04000 1.70000 8.25000 2.88000 0.00000 0.00000 0.00000 0.20000 0.63000 0.00000 -1.03000 0.00000 -1.74000 0.00000 2.38000 67.00000 PIN3_1YNZ-1_22.PDB 2.63972 -10.63000 -1.90000 -4.15000 -8.77000 -2.61000 9.33000 -10.78000 0.78000 6.08000 2.71000 0.00000 0.00000 0.00000 0.31000 0.42000 0.00000 -0.31000 0.00000 -1.32000 0.00000 2.38000 67.00000 PIN3_1YNZ-1_23.PDB 2.68272 -11.39000 -4.03000 -5.58000 -9.01000 -2.77000 10.54000 -10.28000 1.71000 8.40000 2.92000 0.00000 0.00000 0.00000 0.26000 0.63000 0.00000 -1.56000 0.00000 -2.00000 0.00000 2.38000 67.00000 PIN3_1YNZ-1_24.PDB 2.31558 -10.33000 -3.33000 -4.25000 -9.63000 -3.78000 12.08000 -10.59000 0.83000 7.45000 2.83000 0.00000 0.00000 0.00000 0.53000 0.82000 0.00000 -0.43000 0.00000 -2.04000 0.00000 2.38000 67.00000 PIN3_1YNZ-1_25.PDB 2.12256 -9.79000 -3.02000 -4.06000 -9.82000 -3.68000 11.68000 -10.97000 1.56000 7.67000 2.72000 0.00000 0.00000 0.00000 0.42000 0.90000 0.00000 -0.40000 0.00000 -1.89000 0.00000 2.38000 67.00000 PIN3_1YNZ-1_26.PDB 2.26410 -12.58000 -3.54000 -6.87000 -10.10000 -4.18000 13.24000 -10.78000 0.93000 8.56000 2.60000 0.00000 0.00000 0.00000 0.42000 0.78000 0.00000 -0.65000 0.00000 -2.21000 0.00000 2.38000 67.00000 PIN3_1YNZ-1_27.PDB 2.54900 -9.62000 -1.50000 -4.42000 -7.91000 -2.53000 8.77000 -9.63000 0.98000 5.74000 2.42000 0.00000 0.00000 0.00000 0.34000 0.49000 0.00000 -0.52000 0.00000 -1.36000 0.00000 2.38000 67.00000 PIN3_1YNZ-1_28.PDB 2.24747 -10.60000 -3.89000 -6.51000 -8.62000 -2.44000 10.69000 -9.81000 0.92000 7.81000 3.15000 0.00000 0.00000 0.00000 0.27000 0.63000 0.00000 -0.52000 0.00000 -1.65000 0.00000 2.38000 67.00000 PIN3_1YNZ-1_29.PDB 2.60399 -10.63000 -2.07000 -3.03000 -9.09000 -3.64000 10.50000 -10.57000 0.85000 6.02000 2.23000 0.00000 0.00000 0.00000 0.57000 0.70000 0.00000 -0.30000 0.00000 -2.09000 0.00000 2.38000 67.00000 PIN3_1YNZ-1_30.PDB 2.54006 -9.65000 -1.50000 -4.42000 -7.62000 -2.63000 8.47000 -9.35000 0.87000 5.43000 2.61000 0.00000 0.00000 0.00000 0.36000 0.46000 0.00000 -0.35000 0.00000 -1.52000 0.00000 2.38000 67.00000