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-25_1.PDB 2.27176 -8.57000 -1.59000 -5.69000 -8.25000 -2.84000 10.40000 -9.35000 1.35000 7.39000 2.39000 0.00000 0.00000 0.00000 0.06000 0.30000 0.00000 -0.43000 0.00000 -1.99000 0.00000 2.38000 66.00000 PIN3_1YNZ-25_2.PDB 2.41936 -8.93000 -1.58000 -3.78000 -7.96000 -2.15000 8.75000 -9.09000 0.79000 6.02000 2.33000 0.00000 0.00000 0.00000 0.05000 0.45000 0.00000 -0.90000 0.00000 -1.41000 0.00000 2.38000 66.00000 PIN3_1YNZ-25_3.PDB 2.22258 -8.62000 -1.60000 -5.01000 -8.00000 -2.51000 9.62000 -9.20000 1.64000 6.22000 2.27000 0.00000 0.00000 0.00000 0.07000 0.28000 0.00000 -0.42000 0.00000 -1.68000 0.00000 2.38000 66.00000 PIN3_1YNZ-25_4.PDB 2.12721 -9.80000 -2.44000 -5.55000 -8.29000 -2.86000 10.62000 -9.24000 0.89000 7.29000 2.43000 0.00000 0.00000 0.00000 0.03000 0.45000 0.00000 -0.69000 0.00000 -2.00000 0.00000 2.38000 66.00000 PIN3_1YNZ-25_5.PDB 2.04841 -9.33000 -2.35000 -4.73000 -7.81000 -2.46000 9.66000 -9.01000 1.12000 6.24000 2.53000 0.00000 0.00000 0.00000 0.03000 0.48000 0.00000 -0.90000 0.00000 -1.67000 0.00000 2.38000 66.00000 PIN3_1YNZ-25_6.PDB 2.21799 -9.47000 -2.44000 -5.17000 -8.29000 -2.59000 10.44000 -9.15000 1.19000 6.30000 2.55000 0.00000 0.00000 0.00000 0.05000 0.48000 0.00000 -0.69000 0.00000 -1.67000 0.00000 2.38000 66.00000 PIN3_1YNZ-25_7.PDB 2.26535 -7.71000 -2.38000 -4.83000 -7.89000 -2.45000 10.31000 -8.53000 1.54000 6.23000 2.45000 0.00000 0.00000 0.00000 0.04000 0.40000 0.00000 -0.56000 0.00000 -1.65000 0.00000 2.38000 66.00000 PIN3_1YNZ-25_8.PDB 2.35158 -8.36000 -2.42000 -5.43000 -7.93000 -2.62000 10.46000 -8.44000 1.27000 6.20000 2.57000 0.00000 0.00000 0.00000 0.05000 0.41000 0.00000 -0.39000 0.00000 -1.68000 0.00000 2.38000 66.00000 PIN3_1YNZ-25_9.PDB 2.47681 -8.42000 -2.42000 -5.18000 -7.55000 -2.48000 9.95000 -8.28000 1.10000 6.05000 2.43000 0.00000 0.00000 0.00000 0.06000 0.24000 0.00000 -0.45000 0.00000 -1.66000 0.00000 2.38000 66.00000 PIN3_1YNZ-25_10.PDB 2.29032 -9.21000 -2.36000 -5.02000 -8.00000 -2.53000 9.86000 -9.09000 1.46000 6.22000 2.34000 0.00000 0.00000 0.00000 0.03000 0.48000 0.00000 -0.47000 0.00000 -1.65000 0.00000 2.38000 66.00000 PIN3_1YNZ-25_11.PDB 2.23479 -8.06000 -2.37000 -5.11000 -7.96000 -2.46000 10.09000 -8.95000 2.00000 6.26000 2.55000 0.00000 0.00000 0.00000 0.05000 0.47000 0.00000 -0.51000 0.00000 -1.65000 0.00000 2.38000 66.00000 PIN3_1YNZ-25_12.PDB 2.22237 -9.29000 -2.37000 -5.50000 -8.57000 -2.37000 10.35000 -10.09000 2.07000 6.43000 2.49000 0.00000 0.00000 0.00000 0.04000 0.52000 0.00000 -0.40000 0.00000 -1.37000 0.00000 2.38000 66.00000 PIN3_1YNZ-25_13.PDB 2.17282 -8.68000 -2.39000 -4.71000 -7.93000 -2.46000 9.78000 -9.04000 1.07000 6.39000 2.69000 0.00000 0.00000 0.00000 0.06000 0.50000 0.00000 -0.59000 0.00000 -1.55000 0.00000 2.38000 66.00000 PIN3_1YNZ-25_14.PDB 2.25394 -8.91000 -2.40000 -3.22000 -8.27000 -2.16000 9.30000 -9.99000 1.47000 6.18000 2.50000 0.00000 0.00000 0.00000 0.04000 0.34000 0.00000 -1.06000 0.00000 -1.29000 0.00000 2.38000 66.00000 PIN3_1YNZ-25_15.PDB 2.36760 -9.35000 -2.40000 -4.46000 -8.35000 -2.23000 9.42000 -9.92000 1.41000 6.38000 2.57000 0.00000 0.00000 0.00000 0.02000 0.51000 0.00000 -0.48000 0.00000 -1.31000 0.00000 2.38000 66.00000 PIN3_1YNZ-25_16.PDB 2.13895 -9.18000 -2.41000 -4.96000 -8.11000 -2.42000 10.07000 -9.16000 1.58000 6.34000 2.15000 0.00000 0.00000 0.00000 0.04000 0.31000 0.00000 -0.69000 0.00000 -1.62000 0.00000 2.38000 66.00000 PIN3_1YNZ-25_17.PDB 2.54093 -9.45000 -1.60000 -4.77000 -8.02000 -2.86000 9.83000 -9.68000 0.73000 6.90000 2.38000 0.00000 0.00000 0.00000 0.07000 0.27000 0.00000 -0.53000 0.00000 -1.89000 0.00000 2.38000 66.00000 PIN3_1YNZ-25_18.PDB 2.25140 -7.90000 -1.59000 -4.79000 -7.82000 -2.51000 9.60000 -8.92000 1.77000 6.37000 2.20000 0.00000 0.00000 0.00000 0.05000 0.28000 0.00000 -0.57000 0.00000 -1.69000 0.00000 2.38000 66.00000 PIN3_1YNZ-25_19.PDB 2.50947 -9.38000 -2.43000 -5.05000 -8.06000 -2.45000 10.13000 -9.07000 0.98000 6.37000 2.27000 0.00000 0.00000 0.00000 0.06000 0.31000 0.00000 -0.51000 0.00000 -1.64000 0.00000 2.38000 66.00000 PIN3_1YNZ-25_20.PDB 2.09126 -8.81000 -2.36000 -3.05000 -7.75000 -2.00000 8.92000 -9.39000 0.83000 5.93000 2.42000 0.00000 0.00000 0.00000 0.02000 0.46000 0.00000 -1.00000 0.00000 -1.40000 0.00000 2.38000 66.00000 PIN3_1YNZ-25_21.PDB 2.03047 -8.32000 -2.42000 -5.10000 -8.09000 -2.29000 9.97000 -9.40000 2.39000 6.26000 2.38000 0.00000 0.00000 0.00000 0.05000 0.47000 0.00000 -0.63000 0.00000 -1.44000 0.00000 2.38000 66.00000 PIN3_1YNZ-25_22.PDB 2.19581 -6.74000 -2.43000 -3.21000 -8.14000 -1.75000 9.61000 -9.30000 1.90000 6.08000 2.42000 0.00000 0.00000 0.00000 0.03000 0.37000 0.00000 -0.77000 0.00000 -1.16000 0.00000 2.38000 66.00000 PIN3_1YNZ-25_23.PDB 2.29696 -8.57000 -2.37000 -4.97000 -7.51000 -2.20000 9.22000 -8.45000 0.90000 6.09000 2.55000 0.00000 0.00000 0.00000 0.04000 0.48000 0.00000 -0.72000 0.00000 -1.15000 0.00000 2.38000 66.00000 PIN3_1YNZ-25_24.PDB 1.94410 -9.24000 -2.40000 -5.45000 -8.60000 -2.44000 10.43000 -9.58000 1.49000 6.57000 2.38000 0.00000 0.00000 0.00000 0.06000 0.39000 0.00000 -0.30000 0.00000 -1.40000 0.00000 2.38000 66.00000 PIN3_1YNZ-25_25.PDB 2.27420 -10.28000 -2.45000 -5.98000 -8.49000 -2.90000 10.87000 -9.43000 0.68000 7.38000 2.40000 0.00000 0.00000 0.00000 0.05000 0.39000 0.00000 -0.46000 0.00000 -1.94000 0.00000 2.38000 66.00000 PIN3_1YNZ-25_26.PDB 2.08300 -9.50000 -1.60000 -5.79000 -8.08000 -2.93000 10.13000 -9.29000 0.89000 7.37000 2.38000 0.00000 0.00000 0.00000 0.04000 0.24000 0.00000 -0.62000 0.00000 -2.00000 0.00000 2.38000 66.00000 PIN3_1YNZ-25_27.PDB 2.26048 -9.19000 -2.34000 -4.85000 -8.23000 -2.43000 10.16000 -9.29000 0.91000 6.36000 2.42000 0.00000 0.00000 0.00000 0.06000 0.41000 0.00000 -0.36000 0.00000 -1.61000 0.00000 2.38000 66.00000 PIN3_1YNZ-25_28.PDB 2.53397 -8.47000 -1.60000 -4.87000 -7.55000 -2.41000 8.77000 -8.51000 0.69000 6.54000 2.33000 0.00000 0.00000 0.00000 0.06000 0.23000 0.00000 -0.34000 0.00000 -1.58000 0.00000 2.38000 66.00000 PIN3_1YNZ-25_29.PDB 2.58674 -7.46000 -1.61000 -4.14000 -7.60000 -2.20000 8.79000 -8.44000 1.39000 5.77000 2.46000 0.00000 0.00000 0.00000 0.05000 0.40000 0.00000 -0.49000 0.00000 -1.44000 0.00000 2.38000 66.00000 PIN3_1YNZ-25_30.PDB 2.91119 -7.63000 -2.34000 -2.32000 -7.12000 -0.72000 7.58000 -9.05000 0.62000 4.70000 2.60000 0.00000 0.00000 0.00000 0.03000 0.45000 0.00000 -0.84000 0.00000 -0.76000 0.00000 2.38000 66.00000