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-12_1.PDB 4.56692 -9.96000 -0.82000 -0.88000 -7.43000 -0.96000 4.82000 -10.87000 1.30000 3.47000 1.52000 0.00000 0.00000 0.00000 0.25000 0.51000 0.00000 -0.07000 0.00000 -0.28000 0.00000 2.38000 63.00000 PIN3_1CKB-12_2.PDB 4.23001 -7.06000 -0.82000 -0.88000 -7.07000 -0.84000 5.18000 -10.11000 2.47000 3.75000 1.53000 0.00000 0.00000 0.00000 0.06000 0.35000 0.00000 -0.14000 0.00000 -0.19000 0.00000 2.38000 63.00000 PIN3_1CKB-12_3.PDB 5.33710 -9.08000 -0.83000 -0.87000 -7.92000 -0.93000 5.68000 -11.40000 1.91000 3.94000 1.58000 0.00000 0.00000 0.00000 0.16000 0.42000 0.00000 -0.17000 0.00000 -0.25000 0.00000 2.38000 63.00000 PIN3_1CKB-12_4.PDB 4.36177 -7.32000 -0.82000 -0.88000 -6.93000 -0.94000 5.26000 -9.85000 1.83000 3.63000 1.66000 0.00000 0.00000 0.00000 0.16000 0.44000 0.00000 -0.14000 0.00000 -0.30000 0.00000 2.38000 63.00000 PIN3_1CKB-12_5.PDB 5.48666 -9.88000 -0.82000 -0.88000 -8.03000 -0.74000 5.39000 -11.64000 1.35000 3.96000 1.47000 0.00000 0.00000 0.00000 0.28000 0.38000 0.00000 -0.14000 0.00000 -0.07000 0.00000 2.38000 63.00000 PIN3_1CKB-12_6.PDB 4.07751 -6.52000 -0.88000 -0.93000 -6.60000 -0.66000 5.29000 -9.22000 1.78000 3.41000 1.34000 0.00000 0.00000 0.00000 0.19000 0.32000 0.00000 -0.15000 0.00000 -0.09000 0.00000 2.38000 63.00000 PIN3_1CKB-12_7.PDB 4.81482 -9.29000 -0.82000 -0.88000 -7.64000 -0.81000 5.33000 -10.98000 0.91000 3.94000 1.82000 0.00000 0.00000 0.00000 0.15000 0.43000 0.00000 -0.18000 0.00000 -0.12000 0.00000 2.38000 63.00000 PIN3_1CKB-12_8.PDB 4.60511 -8.95000 -0.82000 -0.88000 -7.66000 -0.71000 5.47000 -10.96000 1.14000 3.80000 1.74000 0.00000 0.00000 0.00000 0.11000 0.41000 0.00000 -0.14000 0.00000 -0.06000 0.00000 2.38000 63.00000 PIN3_1CKB-12_9.PDB 4.74555 -11.35000 -0.80000 -4.07000 -7.25000 -1.34000 5.76000 -9.60000 1.66000 3.60000 1.16000 0.00000 0.00000 0.00000 0.52000 0.48000 0.00000 -0.35000 0.00000 -0.61000 0.00000 2.38000 63.00000 PIN3_1CKB-12_10.PDB 4.42199 -7.69000 -0.72000 -0.76000 -6.63000 -0.71000 5.38000 -9.30000 0.52000 3.20000 1.50000 0.00000 0.00000 0.00000 0.11000 0.35000 0.00000 -0.10000 0.00000 -0.18000 0.00000 2.38000 63.00000 PIN3_1CKB-12_11.PDB 3.91631 -7.16000 -0.76000 -0.82000 -6.59000 -1.53000 5.47000 -9.20000 1.71000 3.71000 1.73000 0.00000 0.00000 0.00000 0.09000 0.26000 0.00000 -0.18000 0.00000 -0.78000 0.00000 2.38000 63.00000 PIN3_1CKB-12_12.PDB 4.55938 -7.58000 -0.67000 -0.74000 -7.02000 -0.83000 5.17000 -10.11000 1.39000 3.46000 1.90000 0.00000 0.00000 0.00000 0.20000 0.38000 0.00000 -0.14000 0.00000 -0.17000 0.00000 2.38000 63.00000 PIN3_1CKB-12_13.PDB 5.16087 -8.85000 -0.82000 -0.88000 -7.63000 -0.88000 5.50000 -10.90000 1.08000 4.01000 1.91000 0.00000 0.00000 0.00000 0.08000 0.41000 0.00000 -0.14000 0.00000 -0.19000 0.00000 2.38000 63.00000 PIN3_1CKB-12_14.PDB 4.96640 -9.22000 -0.74000 -0.80000 -7.07000 -0.80000 5.14000 -10.27000 0.51000 3.17000 1.84000 0.00000 0.00000 0.00000 0.12000 0.36000 0.00000 -0.15000 0.00000 -0.16000 0.00000 2.38000 63.00000 PIN3_1CKB-12_15.PDB 4.61118 -8.18000 -0.67000 -0.73000 -6.98000 -1.76000 5.87000 -9.78000 1.59000 3.53000 1.63000 0.00000 0.00000 0.00000 0.24000 0.34000 0.00000 -0.21000 0.00000 -0.90000 0.00000 2.38000 63.00000 PIN3_1CKB-12_16.PDB 5.27879 -9.70000 -0.68000 -0.73000 -7.40000 -1.73000 5.84000 -10.51000 0.42000 3.80000 2.17000 0.00000 0.00000 0.00000 0.12000 0.28000 0.00000 -0.21000 0.00000 -0.79000 0.00000 2.38000 63.00000 PIN3_1CKB-12_17.PDB 4.76172 -7.67000 -0.85000 -0.91000 -6.68000 -1.75000 5.85000 -9.15000 1.62000 3.66000 1.43000 0.00000 0.00000 0.00000 0.14000 0.32000 0.00000 -0.11000 0.00000 -0.91000 0.00000 2.38000 63.00000 PIN3_1CKB-12_18.PDB 4.30617 -7.94000 -0.67000 -0.74000 -7.31000 -1.76000 5.90000 -10.23000 2.09000 3.76000 1.91000 0.00000 0.00000 0.00000 0.15000 0.29000 0.00000 -0.20000 0.00000 -0.84000 0.00000 2.38000 63.00000 PIN3_1CKB-12_19.PDB 4.72773 -7.13000 -0.81000 -0.87000 -6.29000 -1.75000 5.56000 -8.68000 1.58000 3.44000 1.59000 0.00000 0.00000 0.00000 0.14000 0.20000 0.00000 -0.22000 0.00000 -0.82000 0.00000 2.38000 63.00000 PIN3_1CKB-12_20.PDB 5.06987 -9.21000 -0.79000 -0.87000 -7.25000 -1.83000 6.14000 -10.06000 0.68000 3.90000 1.78000 0.00000 0.00000 0.00000 0.07000 0.33000 0.00000 -0.14000 0.00000 -0.84000 0.00000 2.38000 63.00000 PIN3_1CKB-12_21.PDB 5.00439 -10.80000 -0.72000 -3.55000 -7.65000 -1.14000 6.17000 -10.37000 0.70000 4.09000 2.51000 0.00000 0.00000 0.00000 0.13000 0.38000 0.00000 -0.48000 0.00000 -0.48000 0.00000 2.38000 63.00000 PIN3_1CKB-12_22.PDB 5.36226 -9.28000 -0.81000 -4.06000 -7.03000 -1.22000 6.27000 -9.13000 1.61000 3.76000 2.22000 0.00000 0.00000 0.00000 0.17000 0.35000 0.00000 -0.53000 0.00000 -0.53000 0.00000 2.38000 63.00000 PIN3_1CKB-12_23.PDB 4.89972 -9.55000 -0.80000 -0.86000 -7.02000 -1.80000 5.94000 -9.80000 0.29000 3.76000 1.81000 0.00000 0.00000 0.00000 0.08000 0.33000 0.00000 -0.21000 0.00000 -0.93000 0.00000 2.38000 63.00000 PIN3_1CKB-12_24.PDB 4.97551 -7.44000 -0.75000 -0.81000 -6.77000 -1.47000 5.52000 -9.63000 1.80000 3.49000 1.86000 0.00000 0.00000 0.00000 0.15000 0.12000 0.00000 -0.15000 0.00000 -0.69000 0.00000 2.38000 63.00000 PIN3_1CKB-12_25.PDB 4.59776 -10.90000 -0.81000 -4.01000 -7.77000 -1.20000 6.55000 -10.17000 0.74000 4.09000 2.51000 0.00000 0.00000 0.00000 0.08000 0.43000 0.00000 -0.41000 0.00000 -0.50000 0.00000 2.38000 63.00000 PIN3_1CKB-12_26.PDB 4.71561 -8.80000 -0.82000 -0.87000 -7.38000 -1.07000 5.84000 -10.39000 0.67000 3.92000 1.77000 0.00000 0.00000 0.00000 0.10000 0.30000 0.00000 -0.11000 0.00000 -0.45000 0.00000 2.38000 63.00000 PIN3_1CKB-12_27.PDB 4.38335 -7.78000 -0.68000 -0.74000 -6.86000 -1.48000 5.57000 -9.78000 1.53000 3.45000 1.93000 0.00000 0.00000 0.00000 0.17000 0.28000 0.00000 -0.15000 0.00000 -0.74000 0.00000 2.38000 63.00000 PIN3_1CKB-12_28.PDB 4.92673 -9.99000 -0.79000 -0.86000 -7.58000 -1.32000 5.84000 -10.85000 0.48000 3.51000 2.12000 0.00000 0.00000 0.00000 0.22000 0.17000 0.00000 -0.20000 0.00000 -0.55000 0.00000 2.38000 63.00000 PIN3_1CKB-12_29.PDB 4.96918 -7.61000 -0.80000 -0.87000 -6.89000 -1.43000 5.49000 -9.78000 1.73000 3.52000 1.95000 0.00000 0.00000 0.00000 0.24000 0.17000 0.00000 -0.17000 0.00000 -0.60000 0.00000 2.38000 63.00000 PIN3_1CKB-12_30.PDB 4.51285 -6.72000 -0.82000 -0.88000 -6.75000 -1.17000 5.53000 -9.53000 1.97000 3.66000 1.75000 0.00000 0.00000 0.00000 0.14000 0.35000 0.00000 -0.12000 0.00000 -0.49000 0.00000 2.38000 63.00000