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_1CKB-23_1.PDB 2.61253 -8.07000 -1.18000 -2.88000 -5.85000 -0.44000 4.04000 -8.16000 1.76000 2.85000 2.34000 0.00000 0.00000 0.00000 0.00000 0.06000 0.00000 -0.07000 0.00000 -0.48000 0.00000 2.38000 62.00000 PIN3_1CKB-23_2.PDB 3.15349 -8.24000 -1.20000 -2.74000 -5.92000 -0.38000 4.39000 -7.84000 1.71000 2.37000 2.20000 0.00000 0.00000 0.00000 0.06000 0.26000 0.00000 -0.30000 0.00000 -0.59000 0.00000 2.38000 62.00000 PIN3_1CKB-23_3.PDB 2.47234 -7.79000 -1.15000 -2.72000 -5.51000 -0.54000 4.00000 -7.42000 1.64000 2.64000 2.07000 0.00000 0.00000 0.00000 0.00000 0.08000 0.00000 -0.20000 0.00000 -0.61000 0.00000 2.38000 62.00000 PIN3_1CKB-23_4.PDB 2.24099 -7.45000 -1.19000 -1.19000 -5.93000 -1.01000 4.65000 -8.32000 1.24000 3.11000 2.31000 0.00000 0.00000 0.00000 0.01000 0.03000 0.00000 -0.18000 0.00000 -0.93000 0.00000 2.38000 62.00000 PIN3_1CKB-23_5.PDB 2.46692 -7.24000 -1.19000 -1.26000 -5.86000 -0.65000 4.12000 -8.12000 1.75000 2.36000 2.54000 0.00000 0.00000 0.00000 0.01000 0.14000 0.00000 -0.12000 0.00000 -0.81000 0.00000 2.38000 62.00000 PIN3_1CKB-23_6.PDB 2.15417 -7.65000 -1.15000 -1.24000 -6.60000 -0.43000 4.54000 -8.92000 1.65000 2.53000 2.56000 0.00000 0.00000 0.00000 0.00000 0.13000 0.00000 -0.13000 0.00000 -0.46000 0.00000 2.38000 62.00000 PIN3_1CKB-23_7.PDB 2.13320 -6.80000 -1.20000 -1.25000 -5.61000 -0.76000 4.32000 -7.61000 1.56000 2.67000 2.23000 0.00000 0.00000 0.00000 0.00000 0.13000 0.00000 -0.31000 0.00000 -0.85000 0.00000 2.38000 62.00000 PIN3_1CKB-23_8.PDB 2.32630 -7.68000 -1.19000 -1.25000 -6.25000 -1.00000 4.61000 -8.91000 1.72000 3.22000 2.49000 0.00000 0.00000 0.00000 0.01000 0.13000 0.00000 -0.22000 0.00000 -0.92000 0.00000 2.38000 62.00000 PIN3_1CKB-23_9.PDB 2.16995 -7.76000 -1.19000 -1.25000 -6.12000 -0.96000 4.60000 -8.51000 1.16000 3.21000 2.41000 0.00000 0.00000 0.00000 0.01000 0.12000 0.00000 -0.22000 0.00000 -0.90000 0.00000 2.38000 62.00000 PIN3_1CKB-23_10.PDB 2.41242 -6.82000 -1.19000 -1.26000 -5.64000 -0.70000 4.24000 -7.90000 1.72000 2.55000 2.28000 0.00000 0.00000 0.00000 0.01000 0.05000 0.00000 -0.13000 0.00000 -0.81000 0.00000 2.38000 62.00000 PIN3_1CKB-23_11.PDB 2.61655 -7.74000 -1.19000 -2.75000 -5.74000 -0.54000 3.96000 -7.79000 1.91000 2.83000 2.34000 0.00000 0.00000 0.00000 0.00000 0.11000 0.00000 -0.15000 0.00000 -0.63000 0.00000 2.38000 62.00000 PIN3_1CKB-23_12.PDB 2.31689 -6.56000 -1.15000 -1.25000 -5.57000 -1.08000 4.57000 -7.55000 1.60000 2.90000 2.07000 0.00000 0.00000 0.00000 0.00000 0.05000 0.00000 -0.09000 0.00000 -1.00000 0.00000 2.38000 62.00000 PIN3_1CKB-23_13.PDB 2.94587 -7.81000 -1.15000 -2.80000 -5.40000 -0.61000 3.92000 -7.20000 1.62000 2.66000 2.04000 0.00000 0.00000 0.00000 0.01000 0.14000 0.00000 -0.13000 0.00000 -0.76000 0.00000 2.38000 62.00000 PIN3_1CKB-23_14.PDB 2.26738 -7.73000 -1.15000 -1.25000 -5.98000 -1.01000 4.51000 -8.24000 1.17000 3.16000 2.23000 0.00000 0.00000 0.00000 0.00000 0.14000 0.00000 -0.22000 0.00000 -0.95000 0.00000 2.38000 62.00000 PIN3_1CKB-23_15.PDB 2.31482 -7.43000 -1.19000 -1.26000 -6.22000 -0.93000 4.57000 -8.77000 1.66000 3.31000 2.55000 0.00000 0.00000 0.00000 0.01000 0.13000 0.00000 -0.18000 0.00000 -0.98000 0.00000 2.38000 62.00000 PIN3_1CKB-23_16.PDB 2.70089 -7.60000 -1.15000 -2.82000 -5.36000 -0.57000 3.79000 -7.22000 1.82000 2.56000 2.09000 0.00000 0.00000 0.00000 0.00000 0.10000 0.00000 -0.08000 0.00000 -0.68000 0.00000 2.38000 62.00000 PIN3_1CKB-23_17.PDB 3.16516 -8.93000 -1.18000 -2.79000 -6.40000 -0.41000 4.93000 -8.70000 0.88000 2.98000 2.59000 0.00000 0.00000 0.00000 0.08000 0.29000 0.00000 -0.27000 0.00000 -0.63000 0.00000 2.38000 62.00000 PIN3_1CKB-23_18.PDB 2.36932 -8.16000 -1.19000 -1.24000 -6.42000 -1.06000 4.66000 -9.11000 1.66000 3.38000 2.34000 0.00000 0.00000 0.00000 0.01000 0.26000 0.00000 -0.19000 0.00000 -1.00000 0.00000 2.38000 62.00000 PIN3_1CKB-23_19.PDB 2.21423 -7.39000 -1.15000 -1.22000 -6.18000 -0.69000 4.41000 -8.56000 1.62000 3.08000 2.43000 0.00000 0.00000 0.00000 0.01000 0.12000 0.00000 -0.34000 0.00000 -0.79000 0.00000 2.38000 62.00000 PIN3_1CKB-23_20.PDB 2.42742 -6.99000 -1.19000 -1.25000 -6.02000 -0.77000 5.04000 -8.19000 0.57000 3.49000 2.32000 0.00000 0.00000 0.00000 0.03000 0.07000 0.00000 -0.21000 0.00000 -0.82000 0.00000 2.38000 62.00000 PIN3_1CKB-23_21.PDB 2.21611 -7.14000 -1.20000 -1.20000 -6.08000 -1.17000 4.73000 -8.29000 1.60000 3.29000 2.50000 0.00000 0.00000 0.00000 0.00000 0.24000 0.00000 -0.19000 0.00000 -1.13000 0.00000 2.38000 62.00000 PIN3_1CKB-23_22.PDB 2.24667 -7.35000 -1.19000 -1.24000 -6.16000 -0.48000 4.26000 -8.75000 1.57000 2.97000 2.51000 0.00000 0.00000 0.00000 0.01000 0.08000 0.00000 -0.23000 0.00000 -0.62000 0.00000 2.38000 62.00000 PIN3_1CKB-23_23.PDB 2.14137 -7.29000 -1.15000 -1.20000 -6.19000 -0.47000 4.25000 -8.57000 1.58000 2.98000 2.41000 0.00000 0.00000 0.00000 0.00000 0.05000 0.00000 -0.33000 0.00000 -0.60000 0.00000 2.38000 62.00000 PIN3_1CKB-23_24.PDB 2.23197 -7.34000 -1.19000 -1.24000 -6.21000 -0.63000 4.45000 -8.68000 1.57000 3.01000 2.52000 0.00000 0.00000 0.00000 0.01000 0.17000 0.00000 -0.22000 0.00000 -0.72000 0.00000 2.38000 62.00000 PIN3_1CKB-23_25.PDB 2.25835 -7.96000 -1.20000 -1.21000 -6.48000 -0.60000 4.48000 -8.98000 1.25000 3.26000 2.61000 0.00000 0.00000 0.00000 0.00000 0.17000 0.00000 -0.40000 0.00000 -0.70000 0.00000 2.38000 62.00000 PIN3_1CKB-23_26.PDB 2.29021 -6.62000 -1.15000 -1.24000 -5.54000 -1.21000 4.57000 -7.47000 1.56000 2.89000 2.20000 0.00000 0.00000 0.00000 0.00000 0.15000 0.00000 -0.07000 0.00000 -1.17000 0.00000 2.38000 62.00000 PIN3_1CKB-23_27.PDB 2.51899 -6.85000 -1.13000 -1.99000 -5.63000 -0.72000 4.82000 -7.63000 0.60000 3.56000 2.26000 0.00000 0.00000 0.00000 0.03000 0.10000 0.00000 -0.26000 0.00000 -0.77000 0.00000 2.38000 62.00000 PIN3_1CKB-23_28.PDB 2.11509 -7.24000 -1.15000 -1.24000 -5.99000 -1.13000 4.63000 -8.18000 1.63000 3.09000 2.37000 0.00000 0.00000 0.00000 0.01000 0.24000 0.00000 -0.16000 0.00000 -1.11000 0.00000 2.38000 62.00000 PIN3_1CKB-23_29.PDB 2.24490 -6.89000 -1.15000 -1.24000 -5.79000 -0.71000 4.37000 -7.87000 1.52000 2.83000 2.19000 0.00000 0.00000 0.00000 0.00000 0.08000 0.00000 -0.20000 0.00000 -0.85000 0.00000 2.38000 62.00000 PIN3_1CKB-23_30.PDB 3.86722 -7.01000 -1.20000 -1.26000 -6.04000 -0.79000 4.95000 -8.35000 0.63000 3.36000 2.77000 0.00000 0.00000 0.00000 0.04000 0.17000 0.00000 -0.21000 0.00000 -0.91000 0.00000 2.38000 62.00000