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-29_1.PDB 3.43633 -11.87000 -0.62000 -1.37000 -10.28000 -2.34000 8.23000 -13.89000 1.46000 5.80000 2.33000 0.00000 0.00000 0.00000 0.20000 0.47000 0.00000 -0.37000 0.00000 -1.03000 0.00000 2.38000 65.00000 PIN3_1CKB-29_2.PDB 3.23219 -13.17000 -0.98000 -2.73000 -10.87000 -2.85000 8.87000 -14.39000 1.68000 7.19000 2.15000 0.00000 0.00000 0.00000 0.18000 0.44000 0.00000 -0.31000 0.00000 -1.12000 0.00000 2.38000 65.00000 PIN3_1CKB-29_3.PDB 3.41784 -12.66000 -0.84000 -1.43000 -10.79000 -2.48000 8.69000 -14.50000 1.56000 6.39000 2.47000 0.00000 0.00000 0.00000 0.16000 0.53000 0.00000 -0.65000 0.00000 -1.24000 0.00000 2.38000 65.00000 PIN3_1CKB-29_4.PDB 3.44368 -11.46000 -0.47000 -0.34000 -10.60000 -2.91000 8.35000 -14.18000 1.75000 6.27000 2.12000 0.00000 0.00000 0.00000 0.19000 0.43000 0.00000 -0.31000 0.00000 -1.32000 0.00000 2.38000 65.00000 PIN3_1CKB-29_5.PDB 3.63505 -12.49000 -1.33000 -1.70000 -10.87000 -2.21000 8.89000 -14.46000 1.94000 6.15000 2.60000 0.00000 0.00000 0.00000 0.11000 0.49000 0.00000 -0.50000 0.00000 -1.10000 0.00000 2.38000 65.00000 PIN3_1CKB-29_6.PDB 4.02803 -13.41000 -0.90000 -2.65000 -10.60000 -2.52000 8.44000 -14.27000 1.60000 6.82000 2.02000 0.00000 0.00000 0.00000 0.25000 0.48000 0.00000 -0.34000 0.00000 -1.26000 0.00000 2.38000 65.00000 PIN3_1CKB-29_7.PDB 3.44786 -13.17000 -0.96000 -1.54000 -10.82000 -2.41000 8.70000 -14.55000 1.50000 6.28000 2.40000 0.00000 0.00000 0.00000 0.20000 0.51000 0.00000 -0.82000 0.00000 -1.16000 0.00000 2.38000 65.00000 PIN3_1CKB-29_8.PDB 3.12759 -13.33000 -0.96000 -2.68000 -10.79000 -2.89000 8.51000 -14.44000 1.41000 7.36000 2.46000 0.00000 0.00000 0.00000 0.18000 0.49000 0.00000 -0.20000 0.00000 -1.30000 0.00000 2.38000 65.00000 PIN3_1CKB-29_9.PDB 2.79754 -11.45000 -0.74000 -0.58000 -10.87000 -2.69000 8.31000 -14.64000 3.11000 6.11000 1.96000 0.00000 0.00000 0.00000 0.10000 0.58000 0.00000 -0.40000 0.00000 -1.12000 0.00000 2.38000 65.00000 PIN3_1CKB-29_10.PDB 3.12134 -12.21000 -0.92000 -2.88000 -10.77000 -2.31000 8.55000 -14.41000 1.70000 7.10000 2.62000 0.00000 0.00000 0.00000 0.16000 0.42000 0.00000 -0.17000 0.00000 -0.87000 0.00000 2.38000 65.00000 PIN3_1CKB-29_11.PDB 3.42345 -13.16000 -1.03000 -2.46000 -10.87000 -2.93000 8.85000 -14.41000 1.68000 7.16000 2.19000 0.00000 0.00000 0.00000 0.17000 0.60000 0.00000 -0.22000 0.00000 -1.28000 0.00000 2.38000 65.00000 PIN3_1CKB-29_12.PDB 3.15685 -12.32000 -0.88000 -1.54000 -10.44000 -2.24000 7.80000 -14.22000 1.68000 6.00000 2.58000 0.00000 0.00000 0.00000 0.16000 0.44000 0.00000 -0.35000 0.00000 -0.88000 0.00000 2.38000 65.00000 PIN3_1CKB-29_13.PDB 3.27477 -13.25000 -0.76000 -1.44000 -10.34000 -2.40000 7.84000 -14.07000 1.38000 5.99000 1.78000 0.00000 0.00000 0.00000 0.17000 0.52000 0.00000 -0.30000 0.00000 -1.10000 0.00000 2.38000 65.00000 PIN3_1CKB-29_14.PDB 3.44144 -13.18000 -0.97000 -2.02000 -11.07000 -2.73000 9.06000 -14.79000 1.63000 6.86000 2.82000 0.00000 0.00000 0.00000 0.14000 0.55000 0.00000 -0.64000 0.00000 -1.45000 0.00000 2.38000 65.00000 PIN3_1CKB-29_15.PDB 3.07240 -12.10000 -1.10000 -1.04000 -10.78000 -2.65000 8.57000 -14.43000 2.63000 6.13000 2.15000 0.00000 0.00000 0.00000 0.13000 0.49000 0.00000 -0.60000 0.00000 -1.12000 0.00000 2.38000 65.00000 PIN3_1CKB-29_16.PDB 3.35072 -12.63000 -1.03000 -2.64000 -10.76000 -2.75000 8.49000 -14.34000 1.68000 7.08000 2.57000 0.00000 0.00000 0.00000 0.21000 0.46000 0.00000 -0.15000 0.00000 -1.01000 0.00000 2.38000 65.00000 PIN3_1CKB-29_17.PDB 3.17128 -12.44000 -0.94000 -0.82000 -10.57000 -2.86000 8.27000 -14.22000 1.47000 6.39000 2.13000 0.00000 0.00000 0.00000 0.19000 0.47000 0.00000 -0.19000 0.00000 -1.28000 0.00000 2.38000 65.00000 PIN3_1CKB-29_18.PDB 3.28898 -13.22000 -0.85000 -2.49000 -10.59000 -2.81000 8.30000 -14.24000 1.60000 7.05000 1.98000 0.00000 0.00000 0.00000 0.19000 0.63000 0.00000 -0.16000 0.00000 -1.20000 0.00000 2.38000 65.00000 PIN3_1CKB-29_19.PDB 3.25628 -12.27000 -1.03000 -0.92000 -10.32000 -2.58000 7.77000 -14.02000 1.71000 5.82000 2.36000 0.00000 0.00000 0.00000 0.20000 0.48000 0.00000 -0.21000 0.00000 -1.05000 0.00000 2.38000 65.00000 PIN3_1CKB-29_20.PDB 3.25369 -11.71000 -1.01000 -1.69000 -10.62000 -2.09000 7.99000 -14.42000 2.63000 6.11000 2.52000 0.00000 0.00000 0.00000 0.19000 0.42000 0.00000 -0.42000 0.00000 -0.90000 0.00000 2.38000 65.00000 PIN3_1CKB-29_21.PDB 3.07426 -12.26000 -1.01000 -0.94000 -10.77000 -2.68000 8.59000 -14.45000 1.90000 6.16000 2.30000 0.00000 0.00000 0.00000 0.15000 0.51000 0.00000 -0.40000 0.00000 -1.10000 0.00000 2.38000 65.00000 PIN3_1CKB-29_22.PDB 3.52709 -13.48000 -0.76000 -3.00000 -10.93000 -3.08000 9.11000 -14.45000 1.62000 7.59000 2.13000 0.00000 0.00000 0.00000 0.17000 0.49000 0.00000 -0.41000 0.00000 -1.48000 0.00000 2.38000 65.00000 PIN3_1CKB-29_23.PDB 3.22923 -13.41000 -0.88000 -2.24000 -10.76000 -2.71000 8.35000 -14.47000 1.48000 6.98000 1.86000 0.00000 0.00000 0.00000 0.18000 0.43000 0.00000 -0.17000 0.00000 -1.05000 0.00000 2.38000 65.00000 PIN3_1CKB-29_24.PDB 3.22310 -13.15000 -0.82000 -2.78000 -10.86000 -2.85000 8.88000 -14.44000 1.50000 7.45000 2.07000 0.00000 0.00000 0.00000 0.18000 0.49000 0.00000 -0.28000 0.00000 -1.20000 0.00000 2.38000 65.00000 PIN3_1CKB-29_25.PDB 3.30379 -12.98000 -0.94000 -1.17000 -10.66000 -2.27000 8.31000 -14.52000 1.49000 6.13000 2.01000 0.00000 0.00000 0.00000 0.17000 0.56000 0.00000 -0.42000 0.00000 -1.12000 0.00000 2.38000 65.00000 PIN3_1CKB-29_26.PDB 3.23243 -13.30000 -1.03000 -2.92000 -10.81000 -2.68000 8.46000 -14.44000 1.54000 7.27000 2.35000 0.00000 0.00000 0.00000 0.17000 0.52000 0.00000 -0.28000 0.00000 -0.95000 0.00000 2.38000 65.00000 PIN3_1CKB-29_27.PDB 3.19416 -13.21000 -0.98000 -1.65000 -10.60000 -2.35000 8.13000 -14.43000 1.47000 6.23000 2.22000 0.00000 0.00000 0.00000 0.16000 0.51000 0.00000 -0.36000 0.00000 -1.05000 0.00000 2.38000 65.00000 PIN3_1CKB-29_28.PDB 3.12930 -12.22000 -1.07000 -2.45000 -10.79000 -2.86000 8.64000 -14.38000 1.87000 7.19000 3.04000 0.00000 0.00000 0.00000 0.10000 0.47000 0.00000 -0.26000 0.00000 -1.25000 0.00000 2.38000 65.00000 PIN3_1CKB-29_29.PDB 3.23851 -12.35000 -0.81000 -1.05000 -10.76000 -2.32000 8.87000 -14.33000 1.58000 6.05000 1.62000 0.00000 0.00000 0.00000 0.17000 0.41000 0.00000 -0.23000 0.00000 -1.13000 0.00000 2.38000 65.00000 PIN3_1CKB-29_30.PDB 3.46176 -13.11000 -1.36000 -2.86000 -10.91000 -2.89000 9.26000 -14.23000 1.72000 6.78000 2.43000 0.00000 0.00000 0.00000 0.20000 0.47000 0.00000 -0.13000 0.00000 -1.11000 0.00000 2.38000 65.00000