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_1CKA-28_1.PDB 3.10501 -9.86000 -1.28000 -1.22000 -8.56000 -0.81000 7.10000 -12.01000 1.61000 4.20000 2.17000 0.00000 0.00000 0.00000 0.05000 0.98000 0.00000 -0.75000 0.00000 -0.34000 0.00000 2.38000 65.00000 PIN3_1CKA-28_2.PDB 3.08680 -10.61000 -1.91000 -1.83000 -9.18000 -0.71000 8.15000 -12.38000 1.61000 4.55000 2.06000 0.00000 0.00000 0.00000 0.11000 0.86000 0.00000 -0.86000 0.00000 -0.24000 0.00000 2.38000 65.00000 PIN3_1CKA-28_3.PDB 3.77068 -8.82000 -1.93000 -1.88000 -8.98000 -0.78000 8.35000 -12.06000 1.92000 4.57000 2.96000 0.00000 0.00000 0.00000 0.09000 0.91000 0.00000 -0.79000 0.00000 -0.30000 0.00000 2.38000 65.00000 PIN3_1CKA-28_4.PDB 3.21460 -9.86000 -1.91000 -1.82000 -9.09000 -0.65000 8.25000 -12.27000 1.69000 4.48000 2.41000 0.00000 0.00000 0.00000 0.12000 0.93000 0.00000 -0.88000 0.00000 -0.19000 0.00000 2.38000 65.00000 PIN3_1CKA-28_5.PDB 3.89084 -8.03000 -1.32000 -1.22000 -8.45000 -0.58000 7.35000 -11.58000 2.56000 4.13000 2.04000 0.00000 0.00000 0.00000 0.08000 0.88000 0.00000 -0.72000 0.00000 -0.32000 0.00000 2.38000 65.00000 PIN3_1CKA-28_6.PDB 2.88601 -9.60000 -1.29000 -1.22000 -9.37000 -0.84000 7.84000 -13.37000 1.66000 4.84000 3.03000 0.00000 0.00000 0.00000 0.04000 1.08000 0.00000 -0.55000 0.00000 -0.37000 0.00000 2.38000 65.00000 PIN3_1CKA-28_7.PDB 3.30893 -8.94000 -1.30000 -1.22000 -8.13000 -0.87000 6.91000 -11.21000 2.14000 3.93000 1.89000 0.00000 0.00000 0.00000 0.05000 0.97000 0.00000 -0.74000 0.00000 -0.40000 0.00000 2.38000 65.00000 PIN3_1CKA-28_8.PDB 8.77400 -8.95000 -1.30000 -3.87000 -10.17000 -2.43000 10.10000 -13.25000 5.08000 5.46000 2.80000 0.00000 0.00000 0.00000 0.16000 1.05000 0.00000 -0.75000 0.00000 -0.79000 0.00000 2.38000 65.00000 PIN3_1CKA-28_9.PDB 5.49035 -7.38000 -1.30000 -1.23000 -9.18000 -0.78000 8.11000 -12.98000 2.69000 4.72000 3.33000 0.00000 0.00000 0.00000 0.06000 1.01000 0.00000 -0.50000 0.00000 -0.33000 0.00000 2.38000 65.00000 PIN3_1CKA-28_10.PDB 8.99192 -9.81000 -1.28000 -2.24000 -9.13000 -2.75000 9.29000 -11.58000 2.14000 5.14000 2.41000 0.00000 0.00000 0.00000 0.14000 0.91000 0.00000 -1.17000 0.00000 -0.76000 0.00000 2.38000 65.00000 PIN3_1CKA-28_11.PDB 2.93402 -10.11000 -1.89000 -1.81000 -9.83000 -0.80000 8.68000 -13.47000 1.85000 5.08000 2.98000 0.00000 0.00000 0.00000 0.07000 0.99000 0.00000 -0.66000 0.00000 -0.31000 0.00000 2.38000 65.00000 PIN3_1CKA-28_12.PDB 3.10122 -8.60000 -1.27000 -1.21000 -8.49000 -0.61000 7.37000 -11.89000 1.54000 4.24000 2.50000 0.00000 0.00000 0.00000 0.04000 0.79000 0.00000 -0.62000 0.00000 -0.19000 0.00000 2.38000 65.00000 PIN3_1CKA-28_13.PDB 3.31645 -10.42000 -1.28000 -1.22000 -9.58000 -0.96000 7.95000 -13.66000 1.74000 5.18000 2.37000 0.00000 0.00000 0.00000 0.11000 0.94000 0.00000 -0.56000 0.00000 -0.51000 0.00000 2.38000 65.00000 PIN3_1CKA-28_14.PDB 3.75225 -10.25000 -1.28000 -1.23000 -9.40000 -0.97000 7.82000 -13.44000 1.55000 5.18000 2.54000 0.00000 0.00000 0.00000 0.10000 1.06000 0.00000 -0.60000 0.00000 -0.51000 0.00000 2.38000 65.00000 PIN3_1CKA-28_15.PDB 3.39221 -9.75000 -1.26000 -1.21000 -8.61000 -0.75000 7.11000 -12.16000 1.76000 4.30000 2.15000 0.00000 0.00000 0.00000 0.05000 0.96000 0.00000 -0.81000 0.00000 -0.30000 0.00000 2.38000 65.00000 PIN3_1CKA-28_16.PDB 4.14039 -8.74000 -1.92000 -1.81000 -9.62000 -0.77000 8.73000 -13.11000 2.32000 4.94000 3.44000 0.00000 0.00000 0.00000 0.09000 1.12000 0.00000 -0.70000 0.00000 -0.33000 0.00000 2.38000 65.00000 PIN3_1CKA-28_17.PDB 2.77864 -8.03000 -1.29000 -1.22000 -7.73000 -0.62000 6.91000 -10.64000 1.50000 3.85000 2.07000 0.00000 0.00000 0.00000 0.05000 0.94000 0.00000 -0.74000 0.00000 -0.17000 0.00000 2.38000 65.00000 PIN3_1CKA-28_18.PDB 3.35148 -9.00000 -1.30000 -1.23000 -8.87000 -0.74000 7.56000 -12.39000 2.10000 4.43000 2.52000 0.00000 0.00000 0.00000 0.07000 1.05000 0.00000 -0.84000 0.00000 -0.31000 0.00000 2.38000 65.00000 PIN3_1CKA-28_19.PDB 2.92889 -9.15000 -1.32000 -1.23000 -9.26000 -0.96000 7.95000 -12.99000 1.96000 4.70000 3.06000 0.00000 0.00000 0.00000 0.04000 1.11000 0.00000 -0.63000 0.00000 -0.45000 0.00000 2.38000 65.00000 PIN3_1CKA-28_20.PDB 3.05182 -9.77000 -1.26000 -1.20000 -8.84000 -0.61000 7.21000 -12.42000 1.91000 4.30000 2.05000 0.00000 0.00000 0.00000 0.04000 0.87000 0.00000 -0.78000 0.00000 -0.18000 0.00000 2.38000 65.00000 PIN3_1CKA-28_21.PDB 3.23964 -10.29000 -1.87000 -1.79000 -9.12000 -0.78000 8.10000 -12.33000 1.92000 4.66000 2.12000 0.00000 0.00000 0.00000 0.03000 0.82000 0.00000 -0.88000 0.00000 -0.35000 0.00000 2.38000 65.00000 PIN3_1CKA-28_22.PDB 3.36415 -9.63000 -1.92000 -1.83000 -8.90000 -0.61000 8.06000 -12.02000 1.64000 4.42000 2.54000 0.00000 0.00000 0.00000 0.08000 0.89000 0.00000 -0.94000 0.00000 -0.14000 0.00000 2.38000 65.00000 PIN3_1CKA-28_23.PDB 3.56942 -9.95000 -1.29000 -1.22000 -9.35000 -0.86000 7.83000 -13.24000 1.42000 5.06000 2.55000 0.00000 0.00000 0.00000 0.09000 0.99000 0.00000 -0.55000 0.00000 -0.40000 0.00000 2.38000 65.00000 PIN3_1CKA-28_24.PDB 2.98777 -8.91000 -1.33000 -1.22000 -9.39000 -0.80000 8.06000 -13.21000 1.66000 4.70000 3.51000 0.00000 0.00000 0.00000 0.03000 1.12000 0.00000 -0.63000 0.00000 -0.29000 0.00000 2.38000 65.00000 PIN3_1CKA-28_25.PDB 3.03542 -8.80000 -1.30000 -1.22000 -8.38000 -0.95000 7.48000 -11.55000 2.24000 4.17000 1.86000 0.00000 0.00000 0.00000 0.10000 0.83000 0.00000 -0.72000 0.00000 -0.52000 0.00000 2.38000 65.00000 PIN3_1CKA-28_26.PDB 11.39089 -10.41000 -1.30000 -4.14000 -9.74000 -2.68000 9.81000 -12.48000 3.82000 4.75000 2.85000 0.00000 0.00000 0.00000 0.20000 0.94000 0.00000 -0.71000 0.00000 -0.79000 0.00000 2.38000 65.00000 PIN3_1CKA-28_27.PDB 3.07641 -8.47000 -1.31000 -1.22000 -8.49000 -0.90000 7.55000 -11.58000 1.89000 4.32000 2.26000 0.00000 0.00000 0.00000 0.07000 0.93000 0.00000 -0.62000 0.00000 -0.43000 0.00000 2.38000 65.00000 PIN3_1CKA-28_28.PDB 3.14845 -7.79000 -1.29000 -1.22000 -8.81000 -0.70000 7.51000 -12.36000 2.60000 4.37000 3.11000 0.00000 0.00000 0.00000 0.05000 0.95000 0.00000 -0.77000 0.00000 -0.28000 0.00000 2.38000 65.00000 PIN3_1CKA-28_29.PDB 5.83379 -7.32000 -1.29000 -2.35000 -8.59000 -0.76000 7.47000 -12.01000 4.04000 4.25000 2.92000 0.00000 0.00000 0.00000 0.03000 0.97000 0.00000 -0.65000 0.00000 -0.38000 0.00000 2.38000 65.00000 PIN3_1CKA-28_30.PDB 2.69329 -8.70000 -1.31000 -1.23000 -8.98000 -0.78000 7.60000 -12.54000 2.24000 4.54000 2.59000 0.00000 0.00000 0.00000 0.06000 1.16000 0.00000 -0.57000 0.00000 -0.32000 0.00000 2.38000 65.00000