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_1ZX6-12_1.PDB 1.08692 -7.11000 -0.86000 -4.53000 -4.66000 -3.03000 6.17000 -4.84000 0.12000 5.31000 1.56000 0.00000 0.00000 0.00000 0.03000 0.46000 0.00000 -0.32000 0.00000 -2.07000 0.00000 2.38000 64.00000 PIN3_1ZX6-12_2.PDB 1.18998 -7.37000 0.00000 -2.91000 -4.54000 -3.44000 6.25000 -4.68000 0.07000 4.01000 0.50000 0.00000 0.00000 0.00000 0.06000 0.28000 0.00000 -0.40000 0.00000 -2.30000 0.00000 2.38000 64.00000 PIN3_1ZX6-12_3.PDB 1.34013 -7.51000 -0.00000 -5.25000 -4.48000 -3.19000 6.38000 -4.64000 0.10000 4.90000 0.87000 0.00000 0.00000 0.00000 0.07000 0.49000 0.00000 -0.12000 0.00000 -2.16000 0.00000 2.38000 64.00000 PIN3_1ZX6-12_4.PDB 1.31726 -7.20000 0.00000 -3.58000 -4.15000 -3.02000 5.34000 -4.52000 0.14000 4.07000 0.91000 0.00000 0.00000 0.00000 0.04000 0.39000 0.00000 -0.40000 0.00000 -2.04000 0.00000 2.38000 64.00000 PIN3_1ZX6-12_5.PDB 1.30566 -7.71000 -0.00000 -5.19000 -4.45000 -3.16000 6.29000 -4.67000 0.13000 4.89000 0.76000 0.00000 0.00000 0.00000 0.05000 0.43000 0.00000 -0.22000 0.00000 -2.13000 0.00000 2.38000 64.00000 PIN3_1ZX6-12_6.PDB 1.48060 -8.40000 -0.01000 -3.64000 -5.24000 -2.93000 5.79000 -6.29000 0.13000 4.83000 1.21000 0.00000 0.00000 0.00000 0.04000 0.48000 0.00000 -0.38000 0.00000 -1.91000 0.00000 2.38000 64.00000 PIN3_1ZX6-12_7.PDB 1.08197 -7.62000 -0.83000 -4.49000 -4.32000 -3.11000 5.62000 -4.70000 0.12000 5.04000 1.58000 0.00000 0.00000 0.00000 0.02000 0.43000 0.00000 -0.31000 0.00000 -2.24000 0.00000 2.38000 64.00000 PIN3_1ZX6-12_8.PDB 1.93739 -8.05000 -0.01000 -3.66000 -4.92000 -2.79000 5.43000 -5.99000 0.14000 4.69000 1.18000 0.00000 0.00000 0.00000 0.04000 0.42000 0.00000 -0.32000 0.00000 -1.85000 0.00000 2.38000 64.00000 PIN3_1ZX6-12_9.PDB 1.77137 -7.95000 -0.00000 -4.00000 -5.26000 -2.87000 6.08000 -6.16000 0.20000 4.95000 1.06000 0.00000 0.00000 0.00000 0.07000 0.37000 0.00000 -0.19000 0.00000 -1.82000 0.00000 2.38000 64.00000 PIN3_1ZX6-12_10.PDB 1.56147 -8.29000 -0.01000 -3.64000 -5.24000 -2.98000 5.98000 -6.17000 0.10000 4.89000 1.19000 0.00000 0.00000 0.00000 0.02000 0.32000 0.00000 -0.33000 0.00000 -2.11000 0.00000 2.38000 64.00000 PIN3_1ZX6-12_11.PDB 1.81260 -8.59000 -0.04000 -2.63000 -5.91000 -3.17000 6.74000 -6.45000 0.13000 4.35000 0.63000 0.00000 0.00000 0.00000 0.06000 0.57000 0.00000 -0.38000 0.00000 -1.91000 0.00000 2.38000 64.00000 PIN3_1ZX6-12_12.PDB 1.42850 -4.31000 -0.00000 -0.93000 -3.39000 -1.28000 3.47000 -4.26000 0.09000 2.71000 0.87000 0.00000 0.00000 0.00000 0.01000 0.24000 0.00000 -0.20000 0.00000 -1.39000 0.00000 2.38000 64.00000 PIN3_1ZX6-12_13.PDB 1.32713 -7.17000 -0.81000 -4.77000 -4.32000 -3.02000 5.75000 -4.64000 0.14000 5.03000 1.85000 0.00000 0.00000 0.00000 0.06000 0.45000 0.00000 -0.43000 0.00000 -2.01000 0.00000 2.38000 64.00000 PIN3_1ZX6-12_14.PDB 1.69212 -8.06000 -0.01000 -4.03000 -5.36000 -3.10000 6.34000 -6.16000 0.21000 5.03000 1.20000 0.00000 0.00000 0.00000 0.07000 0.30000 0.00000 -0.13000 0.00000 -2.13000 0.00000 2.38000 64.00000 PIN3_1ZX6-12_15.PDB 1.04798 -4.59000 -0.85000 -1.71000 -3.91000 -1.50000 4.46000 -4.81000 0.10000 3.99000 1.46000 0.00000 0.00000 0.00000 0.01000 0.27000 0.00000 -0.40000 0.00000 -1.42000 0.00000 2.38000 64.00000 PIN3_1ZX6-12_16.PDB 1.21029 -4.90000 -0.83000 -1.70000 -3.97000 -1.76000 4.64000 -4.79000 0.17000 3.93000 1.62000 0.00000 0.00000 0.00000 0.02000 0.32000 0.00000 -0.59000 0.00000 -1.65000 0.00000 2.38000 64.00000 PIN3_1ZX6-12_17.PDB 1.10010 -7.52000 -0.83000 -6.35000 -4.84000 -3.30000 6.91000 -4.87000 0.40000 6.07000 1.58000 0.00000 0.00000 0.00000 0.03000 0.50000 0.00000 -0.15000 0.00000 -2.16000 0.00000 2.38000 64.00000 PIN3_1ZX6-12_18.PDB 1.27678 -7.15000 -0.84000 -3.64000 -4.67000 -2.92000 6.56000 -5.01000 0.07000 4.81000 0.77000 0.00000 0.00000 0.00000 0.03000 0.33000 0.00000 -0.34000 0.00000 -1.96000 0.00000 2.38000 64.00000 PIN3_1ZX6-12_19.PDB 1.32416 -7.86000 -0.83000 -6.45000 -4.75000 -3.14000 6.52000 -4.99000 0.24000 6.07000 1.63000 0.00000 0.00000 0.00000 0.03000 0.41000 0.00000 -0.20000 0.00000 -1.99000 0.00000 2.38000 64.00000 PIN3_1ZX6-12_20.PDB 1.23394 -5.12000 0.00000 -0.79000 -3.40000 -1.55000 3.47000 -4.41000 0.11000 2.61000 0.66000 0.00000 0.00000 0.00000 0.04000 0.22000 0.00000 -0.39000 0.00000 -1.49000 0.00000 2.38000 64.00000 PIN3_1ZX6-12_21.PDB 0.97964 -4.72000 0.00000 -1.67000 -4.01000 -2.50000 5.72000 -4.80000 0.17000 3.84000 0.79000 0.00000 0.00000 0.00000 0.01000 0.23000 0.00000 -0.40000 0.00000 -1.86000 0.00000 2.38000 64.00000 PIN3_1ZX6-12_22.PDB 1.18308 -7.42000 -0.00000 -2.95000 -4.45000 -3.42000 6.03000 -4.64000 0.10000 4.05000 0.73000 0.00000 0.00000 0.00000 0.03000 0.33000 0.00000 -0.63000 0.00000 -2.26000 0.00000 2.38000 64.00000 PIN3_1ZX6-12_23.PDB 1.45023 -5.58000 -0.01000 -0.76000 -4.33000 -1.38000 3.84000 -6.05000 0.09000 3.56000 1.20000 0.00000 0.00000 0.00000 0.01000 0.26000 0.00000 -0.47000 0.00000 -1.27000 0.00000 2.38000 64.00000 PIN3_1ZX6-12_24.PDB 1.47173 -8.08000 -0.00000 -3.78000 -5.13000 -2.82000 5.80000 -6.04000 0.10000 4.80000 1.17000 0.00000 0.00000 0.00000 0.03000 0.38000 0.00000 -0.43000 0.00000 -1.79000 0.00000 2.38000 64.00000 PIN3_1ZX6-12_25.PDB 1.37705 -5.78000 -0.00000 0.00000 -3.90000 -1.72000 4.02000 -4.62000 0.20000 1.95000 0.37000 0.00000 0.00000 0.00000 0.06000 0.34000 0.00000 -0.62000 0.00000 -1.52000 0.00000 2.38000 64.00000 PIN3_1ZX6-12_26.PDB 1.34004 -7.21000 0.00000 -3.82000 -4.69000 -3.14000 6.20000 -4.90000 0.18000 4.47000 0.96000 0.00000 0.00000 0.00000 0.03000 0.39000 0.00000 -0.42000 0.00000 -2.08000 0.00000 2.38000 64.00000 PIN3_1ZX6-12_27.PDB 1.17735 -7.45000 0.00000 -3.47000 -4.50000 -3.37000 5.98000 -4.71000 0.24000 4.27000 0.87000 0.00000 0.00000 0.00000 0.04000 0.43000 0.00000 -0.34000 0.00000 -2.46000 0.00000 2.38000 64.00000 PIN3_1ZX6-12_28.PDB 1.15243 -4.96000 0.00000 -0.88000 -3.76000 -1.38000 3.63000 -4.97000 0.12000 2.87000 0.90000 0.00000 0.00000 0.00000 0.01000 0.28000 0.00000 -0.15000 0.00000 -1.33000 0.00000 2.38000 64.00000 PIN3_1ZX6-12_29.PDB 1.79803 -8.40000 -0.92000 -4.42000 -5.06000 -2.84000 5.97000 -5.96000 0.22000 5.20000 1.49000 0.00000 0.00000 0.00000 0.05000 0.48000 0.00000 -0.27000 0.00000 -1.86000 0.00000 2.38000 64.00000 PIN3_1ZX6-12_30.PDB 1.63960 -5.86000 -0.76000 -1.58000 -4.99000 -2.14000 6.30000 -6.56000 0.05000 4.85000 0.96000 0.00000 0.00000 0.00000 0.02000 0.24000 0.00000 -0.37000 0.00000 -1.65000 0.00000 2.38000 64.00000