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-13_1.PDB 3.71759 -7.21000 -1.45000 -2.19000 -10.23000 -0.45000 8.02000 -14.40000 5.64000 6.07000 1.91000 0.00000 0.00000 0.00000 0.28000 0.73000 0.00000 -0.06000 0.00000 -0.33000 0.00000 2.38000 63.00000 PIN3_1CKB-13_2.PDB 4.22949 -9.36000 -1.44000 -2.18000 -9.75000 -0.44000 7.03000 -14.11000 4.61000 5.47000 1.71000 0.00000 0.00000 0.00000 0.15000 0.74000 0.00000 -0.09000 0.00000 -0.32000 0.00000 2.38000 63.00000 PIN3_1CKB-13_3.PDB 3.14695 -8.77000 -1.43000 -2.10000 -9.47000 -0.52000 6.90000 -13.71000 4.72000 5.43000 1.81000 0.00000 0.00000 0.00000 0.14000 0.69000 0.00000 -0.11000 0.00000 -0.42000 0.00000 2.38000 63.00000 PIN3_1CKB-13_4.PDB 3.97644 -7.40000 -1.44000 -2.19000 -10.22000 -0.62000 8.07000 -14.26000 4.80000 6.21000 2.62000 0.00000 0.00000 0.00000 0.20000 0.87000 0.00000 -0.10000 0.00000 -0.48000 0.00000 2.38000 63.00000 PIN3_1CKB-13_5.PDB 3.37050 -9.32000 -1.41000 -2.21000 -9.66000 -0.50000 7.06000 -14.06000 4.72000 5.41000 1.69000 0.00000 0.00000 0.00000 0.17000 0.72000 0.00000 -0.16000 0.00000 -0.39000 0.00000 2.38000 63.00000 PIN3_1CKB-13_6.PDB 3.51289 -6.85000 -1.43000 -2.12000 -10.13000 -0.51000 7.86000 -14.31000 6.05000 6.07000 1.90000 0.00000 0.00000 0.00000 0.27000 0.73000 0.00000 -0.10000 0.00000 -0.40000 0.00000 2.38000 63.00000 PIN3_1CKB-13_7.PDB 3.58824 -8.00000 -1.43000 -2.22000 -10.05000 -0.50000 7.86000 -14.19000 4.79000 6.11000 1.94000 0.00000 0.00000 0.00000 0.21000 0.71000 0.00000 -0.07000 0.00000 -0.44000 0.00000 2.38000 63.00000 PIN3_1CKB-13_8.PDB 5.82180 -8.31000 -1.44000 -2.21000 -9.93000 -0.56000 7.81000 -13.92000 4.51000 6.04000 1.90000 0.00000 0.00000 0.00000 0.16000 0.81000 0.00000 -0.08000 0.00000 -0.58000 0.00000 2.38000 63.00000 PIN3_1CKB-13_9.PDB 3.63509 -8.70000 -1.40000 -2.14000 -9.43000 -0.64000 6.78000 -13.73000 5.21000 5.46000 1.73000 0.00000 0.00000 0.00000 0.18000 0.81000 0.00000 -0.13000 0.00000 -0.59000 0.00000 2.38000 63.00000 PIN3_1CKB-13_10.PDB 3.15580 -8.05000 -1.44000 -2.13000 -9.57000 -0.61000 7.02000 -13.90000 5.57000 5.56000 1.77000 0.00000 0.00000 0.00000 0.31000 0.70000 0.00000 -0.11000 0.00000 -0.51000 0.00000 2.38000 63.00000 PIN3_1CKB-13_11.PDB 3.68167 -8.05000 -1.45000 -2.18000 -10.23000 -0.39000 8.02000 -14.43000 4.84000 6.11000 1.93000 0.00000 0.00000 0.00000 0.21000 0.76000 0.00000 -0.15000 0.00000 -0.32000 0.00000 2.38000 63.00000 PIN3_1CKB-13_12.PDB 4.21609 -7.30000 -1.43000 -2.14000 -9.50000 -0.44000 7.08000 -13.71000 5.82000 5.45000 1.85000 0.00000 0.00000 0.00000 0.18000 0.64000 0.00000 -0.13000 0.00000 -0.32000 0.00000 2.38000 63.00000 PIN3_1CKB-13_13.PDB 2.93117 -7.67000 -1.46000 -1.86000 -10.27000 -0.56000 7.98000 -14.42000 5.31000 6.01000 2.00000 0.00000 0.00000 0.00000 0.21000 0.70000 0.00000 -0.04000 0.00000 -0.57000 0.00000 2.38000 63.00000 PIN3_1CKB-13_14.PDB 3.43851 -8.30000 -0.62000 -1.40000 -9.93000 -0.64000 7.05000 -14.29000 4.51000 5.71000 1.98000 0.00000 0.00000 0.00000 0.13000 0.76000 0.00000 -0.15000 0.00000 -0.65000 0.00000 2.38000 63.00000 PIN3_1CKB-13_15.PDB 4.32783 -8.22000 -1.49000 -2.16000 -10.24000 -0.46000 8.01000 -14.33000 4.48000 6.04000 2.19000 0.00000 0.00000 0.00000 0.30000 0.74000 0.00000 -0.13000 0.00000 -0.41000 0.00000 2.38000 63.00000 PIN3_1CKB-13_16.PDB 3.51816 -9.21000 -1.39000 -2.15000 -9.39000 -0.53000 6.81000 -13.63000 4.39000 5.34000 1.81000 0.00000 0.00000 0.00000 0.09000 0.71000 0.00000 -0.12000 0.00000 -0.43000 0.00000 2.38000 63.00000 PIN3_1CKB-13_17.PDB 3.54186 -8.40000 -1.44000 -2.26000 -10.39000 -0.40000 8.01000 -14.67000 4.93000 6.15000 1.90000 0.00000 0.00000 0.00000 0.22000 0.77000 0.00000 -0.12000 0.00000 -0.33000 0.00000 2.38000 63.00000 PIN3_1CKB-13_18.PDB 4.35380 -9.66000 -1.49000 -2.22000 -9.89000 -0.46000 7.12000 -14.32000 4.77000 5.54000 1.59000 0.00000 0.00000 0.00000 0.19000 0.77000 0.00000 -0.15000 0.00000 -0.33000 0.00000 2.38000 63.00000 PIN3_1CKB-13_19.PDB 2.83078 -7.57000 -1.43000 -2.01000 -9.90000 -0.40000 7.57000 -14.03000 5.00000 5.93000 1.89000 0.00000 0.00000 0.00000 0.20000 0.75000 0.00000 -0.07000 0.00000 -0.32000 0.00000 2.38000 63.00000 PIN3_1CKB-13_20.PDB 3.06199 -7.97000 -1.42000 -2.13000 -9.52000 -0.58000 6.89000 -13.81000 5.88000 5.44000 1.64000 0.00000 0.00000 0.00000 0.19000 0.66000 0.00000 -0.10000 0.00000 -0.44000 0.00000 2.38000 63.00000 PIN3_1CKB-13_21.PDB 2.88899 -8.19000 -1.39000 -2.21000 -9.39000 -0.52000 6.73000 -13.77000 5.58000 5.29000 1.68000 0.00000 0.00000 0.00000 0.24000 0.74000 0.00000 -0.10000 0.00000 -0.35000 0.00000 2.38000 63.00000 PIN3_1CKB-13_22.PDB 3.97551 -7.91000 -1.49000 -2.26000 -9.98000 -0.47000 7.84000 -13.93000 4.51000 6.02000 2.21000 0.00000 0.00000 0.00000 0.18000 0.75000 0.00000 -0.13000 0.00000 -0.42000 0.00000 2.38000 63.00000 PIN3_1CKB-13_23.PDB 3.66858 -8.30000 -1.42000 -2.07000 -9.97000 -0.51000 7.80000 -14.14000 4.49000 5.91000 1.98000 0.00000 0.00000 0.00000 0.14000 0.71000 0.00000 -0.09000 0.00000 -0.43000 0.00000 2.38000 63.00000 PIN3_1CKB-13_24.PDB 2.93560 -9.46000 -1.45000 -2.24000 -9.39000 -0.53000 6.72000 -13.68000 4.54000 5.24000 1.74000 0.00000 0.00000 0.00000 0.13000 0.73000 0.00000 -0.13000 0.00000 -0.42000 0.00000 2.38000 63.00000 PIN3_1CKB-13_25.PDB 3.28965 -5.96000 -1.45000 -2.19000 -9.13000 -0.54000 7.66000 -12.68000 5.48000 5.44000 1.69000 0.00000 0.00000 0.00000 0.28000 0.77000 0.00000 -0.12000 0.00000 -0.40000 0.00000 2.38000 63.00000 PIN3_1CKB-13_26.PDB 3.07613 -7.98000 -1.43000 -2.19000 -9.84000 -0.43000 7.62000 -13.93000 4.81000 5.86000 1.80000 0.00000 0.00000 0.00000 0.22000 0.73000 0.00000 -0.10000 0.00000 -0.37000 0.00000 2.38000 63.00000 PIN3_1CKB-13_27.PDB 3.36510 -6.00000 -1.44000 -2.13000 -10.34000 -0.48000 8.07000 -14.63000 6.76000 6.18000 2.11000 0.00000 0.00000 0.00000 0.31000 0.82000 0.00000 -0.05000 0.00000 -0.35000 0.00000 2.38000 63.00000 PIN3_1CKB-13_28.PDB 3.69375 -8.68000 -1.43000 -2.16000 -9.49000 -0.64000 6.81000 -13.78000 4.73000 5.48000 2.24000 0.00000 0.00000 0.00000 0.18000 0.81000 0.00000 -0.11000 0.00000 -0.51000 0.00000 2.38000 63.00000 PIN3_1CKB-13_29.PDB 3.93009 -7.87000 -0.82000 -2.64000 -9.69000 -0.63000 7.63000 -13.56000 4.40000 5.80000 1.98000 0.00000 0.00000 0.00000 0.18000 0.73000 0.00000 -0.04000 0.00000 -0.51000 0.00000 2.38000 63.00000 PIN3_1CKB-13_30.PDB 2.82851 -8.93000 -1.44000 -2.04000 -9.54000 -0.42000 6.68000 -13.95000 5.24000 5.22000 1.63000 0.00000 0.00000 0.00000 0.18000 0.78000 0.00000 -0.19000 0.00000 -0.31000 0.00000 2.38000 63.00000