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_1ZX6-11_1.PDB 0.78222 -7.30000 -3.05000 -3.04000 -6.95000 -0.85000 8.06000 -7.97000 0.10000 4.98000 3.02000 0.00000 0.00000 0.00000 0.00000 0.40000 0.00000 -0.89000 0.00000 -0.70000 0.00000 2.38000 63.00000 PIN3_1ZX6-11_2.PDB 0.99131 -5.69000 -1.40000 -2.24000 -6.01000 -1.40000 7.19000 -6.84000 0.07000 4.84000 2.54000 0.00000 0.00000 0.00000 0.00000 0.42000 0.00000 -1.21000 0.00000 -1.23000 0.00000 2.38000 63.00000 PIN3_1ZX6-11_3.PDB 1.15702 -7.16000 -3.45000 -5.05000 -8.04000 -1.90000 10.61000 -9.60000 1.90000 6.56000 3.49000 0.00000 0.00000 0.00000 0.08000 1.11000 0.00000 -0.46000 0.00000 -1.32000 0.00000 2.38000 63.00000 PIN3_1ZX6-11_4.PDB 1.15771 -6.64000 -2.99000 -3.59000 -9.08000 -1.21000 9.79000 -10.84000 2.83000 6.61000 3.47000 0.00000 0.00000 0.00000 0.11000 1.27000 0.00000 -0.90000 0.00000 -0.84000 0.00000 2.38000 63.00000 PIN3_1ZX6-11_5.PDB 0.88791 -5.50000 -1.41000 -1.38000 -6.46000 -0.91000 6.65000 -7.96000 0.29000 3.83000 3.15000 0.00000 0.00000 0.00000 0.02000 0.41000 0.00000 -0.61000 0.00000 -0.71000 0.00000 2.38000 63.00000 PIN3_1ZX6-11_6.PDB 1.07964 -5.29000 -1.72000 -3.26000 -6.62000 -1.76000 8.61000 -8.11000 2.06000 4.79000 2.52000 0.00000 0.00000 0.00000 0.09000 1.22000 0.00000 -0.47000 0.00000 -1.43000 0.00000 2.38000 63.00000 PIN3_1ZX6-11_7.PDB 0.95684 -3.85000 -2.24000 -3.80000 -8.96000 -2.41000 10.74000 -10.44000 5.38000 6.93000 3.25000 0.00000 0.00000 0.00000 0.09000 1.43000 0.00000 -0.88000 0.00000 -1.51000 0.00000 2.38000 63.00000 PIN3_1ZX6-11_8.PDB 0.81047 -7.53000 -2.96000 -2.94000 -6.15000 -0.92000 7.39000 -6.87000 0.07000 4.52000 2.32000 0.00000 0.00000 0.00000 0.00000 0.45000 0.00000 -0.93000 0.00000 -1.08000 0.00000 2.38000 63.00000 PIN3_1ZX6-11_9.PDB 0.80138 -6.81000 -2.96000 -2.91000 -6.78000 -0.82000 8.02000 -7.85000 0.13000 4.94000 3.16000 0.00000 0.00000 0.00000 0.01000 0.35000 0.00000 -1.04000 0.00000 -0.70000 0.00000 2.38000 63.00000 PIN3_1ZX6-11_10.PDB 0.80177 -5.54000 -1.40000 -2.24000 -6.57000 -1.15000 7.00000 -8.04000 0.30000 4.96000 3.38000 0.00000 0.00000 0.00000 0.02000 0.40000 0.00000 -0.98000 0.00000 -0.83000 0.00000 2.38000 63.00000 PIN3_1ZX6-11_11.PDB 0.79974 -5.35000 -1.40000 -1.37000 -5.64000 -0.52000 6.27000 -6.55000 0.04000 3.26000 1.76000 0.00000 0.00000 0.00000 0.00000 0.61000 0.00000 -0.69000 0.00000 -0.53000 0.00000 2.38000 63.00000 PIN3_1ZX6-11_12.PDB 0.98073 -6.37000 -2.88000 -2.86000 -6.06000 -0.92000 7.27000 -6.80000 0.11000 4.39000 3.20000 0.00000 0.00000 0.00000 0.00000 0.34000 0.00000 -0.82000 0.00000 -1.02000 0.00000 2.38000 63.00000 PIN3_1ZX6-11_13.PDB 0.93947 -5.32000 -1.42000 -1.37000 -5.53000 -0.56000 6.10000 -6.45000 0.06000 3.19000 2.24000 0.00000 0.00000 0.00000 0.00000 0.38000 0.00000 -0.83000 0.00000 -0.74000 0.00000 2.38000 63.00000 PIN3_1ZX6-11_14.PDB 0.95637 -6.63000 -3.00000 -2.99000 -6.89000 -0.87000 8.19000 -7.89000 0.16000 4.97000 3.15000 0.00000 0.00000 0.00000 0.00000 0.40000 0.00000 -0.75000 0.00000 -0.72000 0.00000 2.38000 63.00000 PIN3_1ZX6-11_15.PDB 1.21309 -5.68000 -2.11000 -2.84000 -8.67000 -1.35000 9.20000 -10.70000 2.47000 6.05000 3.87000 0.00000 0.00000 0.00000 0.13000 1.02000 0.00000 -0.79000 0.00000 -0.95000 0.00000 2.38000 63.00000 PIN3_1ZX6-11_16.PDB 1.12682 -7.09000 -3.43000 -5.09000 -7.89000 -2.08000 10.64000 -9.35000 2.22000 6.40000 3.41000 0.00000 0.00000 0.00000 0.08000 1.16000 0.00000 -0.51000 0.00000 -1.48000 0.00000 2.38000 63.00000 PIN3_1ZX6-11_17.PDB 1.12600 -6.93000 -3.92000 -4.57000 -7.99000 -1.48000 10.49000 -8.72000 2.34000 6.31000 2.80000 0.00000 0.00000 0.00000 0.11000 1.22000 0.00000 -0.82000 0.00000 -1.47000 0.00000 2.38000 63.00000 PIN3_1ZX6-11_18.PDB 0.93047 -5.76000 -1.39000 -2.30000 -6.57000 -1.97000 7.99000 -7.24000 0.10000 5.05000 3.13000 0.00000 0.00000 0.00000 0.01000 0.54000 0.00000 -1.21000 0.00000 -1.37000 0.00000 2.38000 63.00000 PIN3_1ZX6-11_19.PDB 0.97794 -5.46000 -2.33000 -3.10000 -8.81000 -1.28000 9.41000 -10.95000 3.04000 6.09000 4.05000 0.00000 0.00000 0.00000 0.11000 1.07000 0.00000 -0.80000 0.00000 -0.89000 0.00000 2.38000 63.00000 PIN3_1ZX6-11_20.PDB 1.36353 -7.38000 -4.74000 -5.49000 -9.31000 -1.82000 12.86000 -10.43000 2.16000 7.45000 3.85000 0.00000 0.00000 0.00000 0.14000 1.29000 0.00000 -0.75000 0.00000 -1.30000 0.00000 2.38000 63.00000 PIN3_1ZX6-11_21.PDB 1.18133 -4.16000 -0.51000 -1.21000 -7.52000 -1.48000 7.70000 -9.40000 2.42000 4.93000 3.06000 0.00000 0.00000 0.00000 0.13000 1.18000 0.00000 -1.04000 0.00000 -1.24000 0.00000 2.38000 63.00000 PIN3_1ZX6-11_22.PDB 1.31087 -6.64000 -3.94000 -4.63000 -8.71000 -1.37000 10.88000 -9.88000 2.28000 6.72000 3.86000 0.00000 0.00000 0.00000 0.12000 1.13000 0.00000 -0.89000 0.00000 -1.08000 0.00000 2.38000 63.00000 PIN3_1ZX6-11_23.PDB 1.47713 -6.10000 -2.98000 -3.63000 -8.91000 -1.27000 9.74000 -10.69000 2.75000 6.69000 3.87000 0.00000 0.00000 0.00000 0.22000 1.12000 0.00000 -1.05000 0.00000 -0.85000 0.00000 2.38000 63.00000 PIN3_1ZX6-11_24.PDB 0.92854 -5.05000 -2.86000 -3.61000 -8.02000 -0.97000 9.34000 -9.28000 2.49000 6.59000 2.96000 0.00000 0.00000 0.00000 0.08000 1.29000 0.00000 -0.91000 0.00000 -0.86000 0.00000 2.38000 63.00000 PIN3_1ZX6-11_25.PDB 0.93275 -6.11000 -1.85000 -3.60000 -6.62000 -1.57000 8.38000 -8.14000 2.04000 5.02000 2.07000 0.00000 0.00000 0.00000 0.10000 1.41000 0.00000 -0.66000 0.00000 -1.29000 0.00000 2.38000 63.00000 PIN3_1ZX6-11_26.PDB 0.73889 -6.43000 -3.04000 -3.83000 -6.01000 -0.95000 7.83000 -6.57000 0.06000 5.18000 2.87000 0.00000 0.00000 0.00000 0.00000 0.39000 0.00000 -1.01000 0.00000 -0.97000 0.00000 2.38000 63.00000 PIN3_1ZX6-11_27.PDB 0.91822 -6.87000 -2.98000 -2.94000 -6.95000 -0.88000 8.31000 -7.85000 0.10000 4.92000 3.04000 0.00000 0.00000 0.00000 0.01000 0.37000 0.00000 -0.94000 0.00000 -0.71000 0.00000 2.38000 63.00000 PIN3_1ZX6-11_28.PDB 1.19667 -7.27000 -3.43000 -4.85000 -7.40000 -2.00000 9.98000 -8.69000 2.01000 6.04000 3.21000 0.00000 0.00000 0.00000 0.11000 1.11000 0.00000 -0.52000 0.00000 -1.72000 0.00000 2.38000 63.00000 PIN3_1ZX6-11_29.PDB 1.32164 -4.96000 -3.06000 -3.89000 -8.26000 -1.36000 9.18000 -9.61000 3.63000 6.22000 4.14000 0.00000 0.00000 0.00000 0.15000 1.26000 0.00000 -0.93000 0.00000 -1.17000 0.00000 2.38000 63.00000 PIN3_1ZX6-11_30.PDB 1.26154 -6.90000 -4.67000 -5.40000 -8.35000 -1.94000 11.94000 -9.06000 2.42000 6.97000 3.86000 0.00000 0.00000 0.00000 0.17000 1.30000 0.00000 -1.20000 0.00000 -1.63000 0.00000 2.38000 63.00000