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-1_1.PDB 6.00684 -7.27000 -2.55000 -2.36000 -10.13000 -0.84000 9.44000 -13.33000 3.55000 6.60000 2.97000 0.00000 0.00000 0.00000 0.43000 0.56000 0.00000 -0.30000 0.00000 -0.75000 0.00000 2.38000 65.00000 PIN3_1CKB-1_2.PDB 6.25491 -9.27000 -1.90000 -1.82000 -9.38000 -0.59000 7.54000 -13.17000 2.21000 5.85000 2.58000 0.00000 0.00000 0.00000 0.37000 0.59000 0.00000 -0.23000 0.00000 -0.73000 0.00000 2.38000 65.00000 PIN3_1CKB-1_3.PDB 6.30559 -7.73000 -1.06000 -0.96000 -8.91000 -0.70000 6.74000 -12.68000 3.43000 4.62000 2.67000 0.00000 0.00000 0.00000 0.32000 0.54000 0.00000 -0.37000 0.00000 -0.84000 0.00000 2.38000 65.00000 PIN3_1CKB-1_4.PDB 5.65336 -8.73000 -1.98000 -1.88000 -9.52000 -0.69000 7.69000 -13.42000 3.01000 5.99000 2.86000 0.00000 0.00000 0.00000 0.26000 0.62000 0.00000 -0.17000 0.00000 -0.87000 0.00000 2.38000 65.00000 PIN3_1CKB-1_5.PDB 7.38708 -8.94000 -1.62000 -1.56000 -9.11000 -0.42000 7.13000 -13.24000 2.34000 5.15000 3.03000 0.00000 0.00000 0.00000 0.42000 0.67000 0.00000 -0.52000 0.00000 -0.54000 0.00000 2.38000 65.00000 PIN3_1CKB-1_6.PDB 6.52851 -9.75000 -1.89000 -1.85000 -10.34000 -0.95000 7.42000 -14.97000 4.46000 5.91000 2.96000 0.00000 0.00000 0.00000 0.32000 0.87000 0.00000 -0.29000 0.00000 -0.54000 0.00000 2.38000 65.00000 PIN3_1CKB-1_7.PDB 4.80734 -7.11000 -1.06000 -0.97000 -9.48000 -0.28000 7.06000 -13.55000 3.71000 4.86000 2.79000 0.00000 0.00000 0.00000 0.37000 0.60000 0.00000 -0.22000 0.00000 -0.35000 0.00000 2.38000 65.00000 PIN3_1CKB-1_8.PDB 6.89125 -10.11000 -2.03000 -2.72000 -10.94000 -1.58000 8.83000 -14.88000 4.35000 6.94000 3.16000 0.00000 0.00000 0.00000 0.43000 0.78000 0.00000 -0.61000 0.00000 -1.07000 0.00000 2.38000 65.00000 PIN3_1CKB-1_9.PDB 6.46998 -10.15000 -3.46000 -3.38000 -11.71000 -1.32000 10.55000 -16.00000 4.94000 7.84000 3.00000 0.00000 0.00000 0.00000 0.35000 0.94000 0.00000 -0.20000 0.00000 -0.76000 0.00000 2.38000 65.00000 PIN3_1CKB-1_10.PDB 5.04781 -8.84000 -1.73000 -1.67000 -9.65000 -0.55000 7.39000 -14.00000 3.33000 5.49000 3.27000 0.00000 0.00000 0.00000 0.33000 0.67000 0.00000 -0.36000 0.00000 -0.67000 0.00000 2.38000 65.00000 PIN3_1CKB-1_11.PDB 6.22272 -8.71000 -3.09000 -2.90000 -10.61000 -0.96000 9.91000 -14.25000 2.98000 7.54000 3.66000 0.00000 0.00000 0.00000 0.39000 0.64000 0.00000 -0.47000 0.00000 -0.92000 0.00000 2.38000 65.00000 PIN3_1CKB-1_12.PDB 7.80890 -8.81000 -1.09000 -1.02000 -10.02000 -1.20000 7.33000 -14.20000 4.04000 5.16000 2.67000 0.00000 0.00000 0.00000 0.55000 0.87000 0.00000 -0.21000 0.00000 -0.81000 0.00000 2.38000 65.00000 PIN3_1CKB-1_13.PDB 5.09498 -8.06000 -1.73000 -1.65000 -9.21000 -0.28000 7.07000 -13.36000 3.25000 5.52000 2.78000 0.00000 0.00000 0.00000 0.30000 0.62000 0.00000 -0.38000 0.00000 -0.38000 0.00000 2.38000 65.00000 PIN3_1CKB-1_14.PDB 6.58410 -9.61000 -1.95000 -1.89000 -10.49000 -1.36000 7.67000 -14.93000 5.27000 6.30000 2.68000 0.00000 0.00000 0.00000 0.30000 0.85000 0.00000 -0.21000 0.00000 -1.02000 0.00000 2.38000 65.00000 PIN3_1CKB-1_15.PDB 5.42718 -8.07000 -1.78000 -1.68000 -9.69000 -0.48000 7.66000 -13.92000 3.43000 5.92000 3.18000 0.00000 0.00000 0.00000 0.32000 0.69000 0.00000 -0.39000 0.00000 -0.63000 0.00000 2.38000 65.00000 PIN3_1CKB-1_16.PDB 7.56958 -8.45000 -1.09000 -1.07000 -10.23000 -1.30000 7.22000 -14.59000 5.13000 5.33000 2.75000 0.00000 0.00000 0.00000 0.54000 0.75000 0.00000 -0.20000 0.00000 -0.95000 0.00000 2.38000 65.00000 PIN3_1CKB-1_17.PDB 6.29088 -8.03000 -2.43000 -2.32000 -10.33000 -0.18000 8.50000 -14.27000 3.59000 6.33000 3.25000 0.00000 0.00000 0.00000 0.26000 0.73000 0.00000 -0.17000 0.00000 -0.25000 0.00000 2.38000 65.00000 PIN3_1CKB-1_18.PDB 7.07923 -9.65000 -2.42000 -2.31000 -10.38000 -0.44000 8.50000 -14.23000 2.76000 6.33000 2.99000 0.00000 0.00000 0.00000 0.37000 0.68000 0.00000 -0.28000 0.00000 -0.53000 0.00000 2.38000 65.00000 PIN3_1CKB-1_19.PDB 7.05440 -9.83000 -1.93000 -1.87000 -10.28000 -1.26000 7.40000 -14.91000 5.03000 6.01000 2.83000 0.00000 0.00000 0.00000 0.33000 0.84000 0.00000 -0.28000 0.00000 -0.90000 0.00000 2.38000 65.00000 PIN3_1CKB-1_20.PDB 7.68378 -10.34000 -1.88000 -1.82000 -10.45000 -1.24000 7.69000 -15.07000 3.92000 6.21000 3.13000 0.00000 0.00000 0.00000 0.34000 0.83000 0.00000 -0.27000 0.00000 -0.89000 0.00000 2.38000 65.00000 PIN3_1CKB-1_21.PDB 5.90361 -8.27000 -2.08000 -2.00000 -10.37000 -0.44000 8.22000 -14.37000 4.02000 6.32000 2.95000 0.00000 0.00000 0.00000 0.36000 0.67000 0.00000 -0.30000 0.00000 -0.58000 0.00000 2.38000 65.00000 PIN3_1CKB-1_22.PDB 5.99823 -9.01000 -2.56000 -2.44000 -10.64000 -0.60000 8.60000 -14.62000 4.32000 6.40000 3.11000 0.00000 0.00000 0.00000 0.36000 0.66000 0.00000 -0.22000 0.00000 -0.73000 0.00000 2.38000 65.00000 PIN3_1CKB-1_23.PDB 6.50992 -9.67000 -2.39000 -2.28000 -10.54000 -0.37000 8.57000 -14.74000 2.77000 6.17000 3.60000 0.00000 0.00000 0.00000 0.41000 0.72000 0.00000 -0.40000 0.00000 -0.46000 0.00000 2.38000 65.00000 PIN3_1CKB-1_24.PDB 4.85960 -9.48000 -1.12000 -2.75000 -8.88000 -0.78000 6.87000 -12.58000 3.24000 5.30000 2.27000 0.00000 0.00000 0.00000 0.28000 0.59000 0.00000 -0.37000 0.00000 -0.94000 0.00000 2.38000 65.00000 PIN3_1CKB-1_25.PDB 7.16750 -9.67000 -1.95000 -1.91000 -10.73000 -0.85000 7.54000 -15.40000 5.03000 6.21000 2.55000 0.00000 0.00000 0.00000 0.34000 0.92000 0.00000 -0.11000 0.00000 -0.41000 0.00000 2.38000 65.00000 PIN3_1CKB-1_26.PDB 5.84334 -8.27000 -1.77000 -1.67000 -9.85000 -0.24000 7.81000 -14.00000 2.46000 5.72000 3.50000 0.00000 0.00000 0.00000 0.35000 0.63000 0.00000 -0.27000 0.00000 -0.29000 0.00000 2.38000 65.00000 PIN3_1CKB-1_27.PDB 5.81484 -9.59000 -2.67000 -2.57000 -10.83000 -0.43000 8.52000 -15.00000 4.05000 6.53000 3.21000 0.00000 0.00000 0.00000 0.38000 0.61000 0.00000 -0.22000 0.00000 -0.56000 0.00000 2.38000 65.00000 PIN3_1CKB-1_28.PDB 5.68865 -8.27000 -1.73000 -1.61000 -10.06000 -0.34000 7.75000 -14.03000 3.71000 5.18000 3.11000 0.00000 0.00000 0.00000 0.33000 0.57000 0.00000 -0.16000 0.00000 -0.39000 0.00000 2.38000 65.00000 PIN3_1CKB-1_29.PDB 6.90442 -10.42000 -2.01000 -1.94000 -10.94000 -1.13000 8.09000 -15.70000 4.55000 6.40000 2.86000 0.00000 0.00000 0.00000 0.29000 1.03000 0.00000 -0.14000 0.00000 -0.73000 0.00000 2.38000 65.00000 PIN3_1CKB-1_30.PDB 6.21283 -8.58000 -1.12000 -1.07000 -10.54000 -1.02000 7.40000 -15.17000 5.42000 5.20000 2.78000 0.00000 0.00000 0.00000 0.31000 0.98000 0.00000 -0.15000 0.00000 -0.62000 0.00000 2.38000 65.00000