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-11_1.PDB 1.31923 -5.25000 -1.53000 -1.39000 -7.36000 -0.17000 7.19000 -9.50000 0.52000 4.59000 2.53000 0.00000 0.00000 0.00000 0.14000 0.98000 0.00000 -0.12000 0.00000 -0.17000 0.00000 2.38000 62.00000 PIN3_1CKB-11_2.PDB 2.00084 -4.01000 -0.63000 -2.59000 -6.52000 -0.26000 6.62000 -8.88000 3.01000 3.23000 2.20000 0.00000 0.00000 0.00000 0.13000 0.86000 0.00000 -0.14000 0.00000 -0.18000 0.00000 2.38000 62.00000 PIN3_1CKB-11_3.PDB 1.25891 -4.32000 -0.62000 -1.95000 -5.57000 -0.29000 5.75000 -7.41000 1.22000 2.97000 2.03000 0.00000 0.00000 0.00000 0.13000 0.78000 0.00000 -0.26000 0.00000 -0.32000 0.00000 2.38000 62.00000 PIN3_1CKB-11_4.PDB 4.85042 -1.60000 -3.40000 -3.08000 -7.89000 -1.27000 9.43000 -9.29000 6.35000 6.02000 2.70000 0.00000 0.00000 0.00000 0.15000 0.87000 0.00000 -0.42000 0.00000 -0.89000 0.00000 2.38000 62.00000 PIN3_1CKB-11_5.PDB 1.43584 -4.17000 -0.70000 -2.30000 -6.70000 -0.49000 6.73000 -8.79000 2.03000 4.32000 2.28000 0.00000 0.00000 0.00000 0.11000 0.77000 0.00000 -0.14000 0.00000 -0.53000 0.00000 2.38000 62.00000 PIN3_1CKB-11_6.PDB 1.30065 -0.60000 -1.52000 -1.41000 -7.28000 -0.33000 7.30000 -9.35000 5.29000 4.64000 2.41000 0.00000 0.00000 0.00000 0.11000 0.72000 0.00000 -0.17000 0.00000 -0.28000 0.00000 2.38000 62.00000 PIN3_1CKB-11_7.PDB 1.45945 -4.45000 -0.61000 -2.36000 -5.61000 -0.66000 6.27000 -7.28000 0.81000 3.45000 2.28000 0.00000 0.00000 0.00000 0.10000 0.84000 0.00000 -0.14000 0.00000 -0.70000 0.00000 2.38000 62.00000 PIN3_1CKB-11_8.PDB 1.48070 0.35000 -1.51000 -1.41000 -6.53000 -0.53000 7.16000 -8.18000 5.49000 4.16000 2.14000 0.00000 0.00000 0.00000 0.11000 0.78000 0.00000 -0.10000 0.00000 -0.46000 0.00000 2.38000 62.00000 PIN3_1CKB-11_9.PDB 2.96674 -5.54000 -1.49000 -1.43000 -8.99000 -1.10000 8.37000 -11.88000 1.59000 5.54000 4.03000 0.00000 0.00000 0.00000 0.33000 1.20000 0.00000 -0.10000 0.00000 -0.41000 0.00000 2.38000 62.00000 PIN3_1CKB-11_10.PDB 2.01111 -4.02000 -0.64000 -2.50000 -6.64000 -0.52000 6.84000 -9.00000 3.43000 3.24000 2.19000 0.00000 0.00000 0.00000 0.10000 0.80000 0.00000 -0.21000 0.00000 -0.30000 0.00000 2.38000 62.00000 PIN3_1CKB-11_11.PDB 2.36553 -3.33000 -0.56000 -2.26000 -6.72000 -0.54000 7.06000 -8.99000 2.96000 3.70000 2.47000 0.00000 0.00000 0.00000 0.12000 0.85000 0.00000 -0.12000 0.00000 -0.46000 0.00000 2.38000 62.00000 PIN3_1CKB-11_12.PDB 3.02426 -1.49000 -4.08000 -3.89000 -8.16000 -0.94000 10.37000 -9.48000 6.74000 5.92000 2.73000 0.00000 0.00000 0.00000 0.48000 0.85000 0.00000 -0.43000 0.00000 -0.75000 0.00000 2.38000 62.00000 PIN3_1CKB-11_13.PDB 1.24510 -3.49000 -0.64000 -2.35000 -5.91000 -0.77000 7.07000 -7.61000 2.01000 2.93000 2.23000 0.00000 0.00000 0.00000 0.24000 1.02000 0.00000 -0.05000 0.00000 -0.64000 0.00000 2.38000 62.00000 PIN3_1CKB-11_14.PDB 4.33284 -1.75000 -1.44000 -3.04000 -7.08000 -0.66000 8.28000 -9.15000 5.97000 4.08000 2.11000 0.00000 0.00000 0.00000 0.20000 0.93000 0.00000 -0.52000 0.00000 -0.48000 0.00000 2.38000 62.00000 PIN3_1CKB-11_15.PDB 4.66012 -1.85000 -3.22000 -3.00000 -8.01000 -1.69000 10.45000 -9.27000 6.10000 5.64000 2.97000 0.00000 0.00000 0.00000 0.13000 0.87000 0.00000 -0.79000 0.00000 -1.16000 0.00000 2.38000 62.00000 PIN3_1CKB-11_16.PDB 4.92516 -2.07000 -3.36000 -3.12000 -7.86000 -1.66000 9.83000 -9.20000 5.83000 5.77000 2.99000 0.00000 0.00000 0.00000 0.25000 0.98000 0.00000 -0.41000 0.00000 -1.13000 0.00000 2.38000 62.00000 PIN3_1CKB-11_17.PDB 2.93811 0.30000 -1.45000 -1.38000 -6.35000 -0.82000 7.31000 -7.88000 5.35000 4.06000 2.23000 0.00000 0.00000 0.00000 0.11000 0.77000 0.00000 -0.32000 0.00000 -0.56000 0.00000 2.38000 62.00000 PIN3_1CKB-11_18.PDB 4.56931 -1.72000 -1.45000 -1.45000 -8.79000 -1.15000 8.54000 -11.64000 6.55000 4.70000 3.90000 0.00000 0.00000 0.00000 0.18000 0.95000 0.00000 -0.67000 0.00000 -0.42000 0.00000 2.38000 62.00000 PIN3_1CKB-11_19.PDB 2.30243 0.56000 -1.39000 -1.62000 -7.20000 -0.29000 7.68000 -9.30000 6.21000 4.35000 2.38000 0.00000 0.00000 0.00000 0.13000 0.79000 0.00000 -0.17000 0.00000 -0.22000 0.00000 2.38000 62.00000 PIN3_1CKB-11_20.PDB 2.39967 -1.97000 -3.25000 -2.99000 -7.56000 -0.87000 9.58000 -8.80000 4.29000 5.95000 2.66000 0.00000 0.00000 0.00000 0.09000 0.75000 0.00000 -0.32000 0.00000 -0.75000 0.00000 2.38000 62.00000 PIN3_1CKB-11_21.PDB 2.02682 -1.34000 -1.48000 -1.45000 -9.27000 -0.86000 8.50000 -12.14000 6.92000 5.51000 3.31000 0.00000 0.00000 0.00000 0.13000 1.12000 0.00000 -0.29000 0.00000 -0.21000 0.00000 2.38000 62.00000 PIN3_1CKB-11_22.PDB 2.17278 -5.45000 -0.63000 -1.89000 -6.45000 -0.21000 6.17000 -8.79000 0.47000 3.56000 2.46000 0.00000 0.00000 0.00000 0.16000 0.91000 0.00000 -0.11000 0.00000 -0.19000 0.00000 2.38000 62.00000 PIN3_1CKB-11_23.PDB 4.01670 -0.29000 -1.40000 -1.42000 -8.43000 -1.69000 9.06000 -10.59000 7.52000 4.53000 3.29000 0.00000 0.00000 0.00000 0.16000 0.99000 0.00000 -0.69000 0.00000 -0.64000 0.00000 2.38000 62.00000 PIN3_1CKB-11_24.PDB 1.49063 -0.50000 -1.46000 -1.38000 -6.55000 -0.38000 7.06000 -8.28000 4.41000 4.12000 2.31000 0.00000 0.00000 0.00000 0.19000 0.98000 0.00000 -0.17000 0.00000 -0.38000 0.00000 2.38000 62.00000 PIN3_1CKB-11_25.PDB 4.19687 -0.49000 -1.49000 -1.41000 -7.10000 -0.63000 6.97000 -9.47000 6.16000 4.31000 2.62000 0.00000 0.00000 0.00000 0.16000 0.92000 0.00000 -0.23000 0.00000 -0.37000 0.00000 2.38000 62.00000 PIN3_1CKB-11_26.PDB 4.04620 -1.28000 -0.56000 -1.90000 -9.16000 -1.31000 8.61000 -12.19000 8.17000 4.65000 3.27000 0.00000 0.00000 0.00000 0.17000 1.00000 0.00000 -0.53000 0.00000 -0.51000 0.00000 2.38000 62.00000 PIN3_1CKB-11_27.PDB 3.30098 -6.42000 -1.62000 -2.91000 -8.84000 -1.18000 8.23000 -11.53000 2.16000 6.08000 3.68000 0.00000 0.00000 0.00000 0.32000 1.11000 0.00000 -0.26000 0.00000 -0.55000 0.00000 2.38000 62.00000 PIN3_1CKB-11_28.PDB 2.21533 -2.45000 -3.33000 -3.42000 -9.96000 -1.44000 10.93000 -12.05000 6.09000 7.16000 4.27000 0.00000 0.00000 0.00000 0.15000 1.07000 0.00000 -0.21000 0.00000 -0.66000 0.00000 2.38000 62.00000 PIN3_1CKB-11_29.PDB 3.28733 -3.64000 -1.42000 -1.46000 -9.62000 -1.48000 9.26000 -12.42000 6.77000 5.38000 2.46000 0.00000 0.00000 0.00000 0.22000 0.95000 0.00000 -0.81000 0.00000 -0.52000 0.00000 2.38000 62.00000 PIN3_1CKB-11_30.PDB 2.06892 -4.24000 -1.26000 -1.23000 -8.90000 -0.92000 8.94000 -11.69000 2.70000 5.24000 3.23000 0.00000 0.00000 0.00000 0.12000 1.03000 0.00000 -0.12000 0.00000 -0.33000 0.00000 2.38000 62.00000