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-11_1.PDB 2.49057 -5.59000 -1.54000 -1.51000 -7.33000 -0.47000 7.41000 -9.36000 0.35000 4.77000 2.25000 0.00000 0.00000 0.00000 0.21000 0.97000 0.00000 -0.04000 0.00000 -0.32000 0.00000 2.38000 62.00000 PIN3_1CKA-11_2.PDB 1.74206 -5.36000 -0.66000 -3.93000 -7.36000 -0.68000 7.39000 -9.64000 2.22000 5.27000 2.35000 0.00000 0.00000 0.00000 0.17000 0.92000 0.00000 -0.09000 0.00000 -0.41000 0.00000 2.38000 62.00000 PIN3_1CKA-11_3.PDB 2.68320 -6.46000 -1.52000 -2.77000 -7.26000 -0.32000 7.24000 -9.22000 0.27000 4.96000 2.18000 0.00000 0.00000 0.00000 0.33000 1.04000 0.00000 -0.13000 0.00000 -0.21000 0.00000 2.38000 62.00000 PIN3_1CKA-11_4.PDB 2.54196 -6.26000 -1.51000 -2.79000 -7.11000 -0.41000 7.35000 -9.03000 0.46000 5.03000 2.26000 0.00000 0.00000 0.00000 0.10000 0.80000 0.00000 -0.30000 0.00000 -0.31000 0.00000 2.38000 62.00000 PIN3_1CKA-11_5.PDB 2.08854 -5.06000 -0.66000 -3.63000 -7.07000 -0.44000 7.06000 -9.16000 2.24000 4.88000 2.17000 0.00000 0.00000 0.00000 0.09000 0.81000 0.00000 -0.21000 0.00000 -0.32000 0.00000 2.38000 62.00000 PIN3_1CKA-11_6.PDB 1.82810 -5.68000 -1.52000 -2.79000 -7.40000 -0.39000 7.34000 -9.55000 1.29000 5.10000 2.44000 0.00000 0.00000 0.00000 0.23000 1.02000 0.00000 -0.15000 0.00000 -0.28000 0.00000 2.38000 62.00000 PIN3_1CKA-11_7.PDB 2.54762 -6.29000 -1.49000 -2.41000 -7.22000 -0.57000 7.25000 -9.28000 0.52000 5.11000 2.25000 0.00000 0.00000 0.00000 0.15000 0.94000 0.00000 -0.10000 0.00000 -0.51000 0.00000 2.38000 62.00000 PIN3_1CKA-11_8.PDB 2.76277 -7.88000 -1.49000 -5.16000 -7.83000 -1.44000 8.61000 -9.68000 0.39000 7.50000 2.51000 0.00000 0.00000 0.00000 0.19000 1.03000 0.00000 -0.41000 0.00000 -1.06000 0.00000 2.38000 62.00000 PIN3_1CKA-11_9.PDB 2.73186 -6.63000 -1.34000 -2.63000 -7.16000 -0.51000 7.25000 -9.17000 0.20000 4.84000 2.38000 0.00000 0.00000 0.00000 0.15000 0.91000 0.00000 -0.15000 0.00000 -0.48000 0.00000 2.38000 62.00000 PIN3_1CKA-11_10.PDB 1.77608 -6.00000 -1.49000 -2.80000 -7.52000 -0.57000 7.65000 -9.61000 1.07000 5.38000 2.48000 0.00000 0.00000 0.00000 0.11000 0.88000 0.00000 -0.13000 0.00000 -0.56000 0.00000 2.38000 62.00000 PIN3_1CKA-11_11.PDB 1.95236 -5.56000 -1.49000 -2.77000 -7.66000 -0.39000 7.71000 -9.85000 1.12000 5.29000 2.80000 0.00000 0.00000 0.00000 0.15000 0.87000 0.00000 -0.19000 0.00000 -0.27000 0.00000 2.38000 62.00000 PIN3_1CKA-11_12.PDB 2.90460 -5.25000 -1.28000 -1.70000 -7.37000 -0.65000 7.60000 -9.44000 0.25000 4.83000 2.88000 0.00000 0.00000 0.00000 0.22000 0.88000 0.00000 -0.21000 0.00000 -0.39000 0.00000 2.38000 62.00000 PIN3_1CKA-11_13.PDB 1.88220 -5.45000 -1.53000 -2.48000 -7.30000 -0.13000 7.07000 -9.42000 1.22000 5.03000 2.23000 0.00000 0.00000 0.00000 0.10000 0.81000 0.00000 -0.13000 0.00000 -0.12000 0.00000 2.38000 62.00000 PIN3_1CKA-11_14.PDB 6.25777 -5.71000 -1.51000 -2.71000 -7.51000 -0.51000 7.94000 -9.31000 0.38000 5.34000 2.56000 0.00000 0.00000 0.00000 0.12000 0.79000 0.00000 -0.16000 0.00000 -0.34000 0.00000 2.38000 62.00000 PIN3_1CKA-11_15.PDB 2.26520 -7.34000 -0.66000 -1.89000 -7.22000 -0.48000 6.37000 -9.97000 0.85000 3.93000 1.93000 0.00000 0.00000 0.00000 0.22000 1.00000 0.00000 -0.14000 0.00000 -0.28000 0.00000 2.38000 62.00000 PIN3_1CKA-11_16.PDB 2.90811 -6.45000 -1.17000 -2.51000 -7.12000 -0.49000 7.07000 -9.13000 0.23000 4.71000 2.24000 0.00000 0.00000 0.00000 0.27000 0.91000 0.00000 -0.11000 0.00000 -0.44000 0.00000 2.38000 62.00000 PIN3_1CKA-11_17.PDB 2.56768 -6.06000 -0.67000 -3.84000 -7.11000 -0.41000 7.02000 -9.19000 1.41000 4.93000 2.04000 0.00000 0.00000 0.00000 0.26000 1.11000 0.00000 -0.16000 0.00000 -0.34000 0.00000 2.38000 62.00000 PIN3_1CKA-11_18.PDB 6.10542 -5.05000 -0.63000 -1.89000 -6.72000 -0.59000 7.02000 -8.72000 0.18000 4.13000 2.53000 0.00000 0.00000 0.00000 0.28000 0.94000 0.00000 -0.28000 0.00000 -0.35000 0.00000 2.38000 62.00000 PIN3_1CKA-11_19.PDB 2.11396 -7.63000 -0.66000 -1.96000 -7.21000 -0.64000 6.53000 -9.98000 0.29000 4.21000 2.15000 0.00000 0.00000 0.00000 0.23000 1.01000 0.00000 -0.22000 0.00000 -0.35000 0.00000 2.38000 62.00000 PIN3_1CKA-11_20.PDB 2.55052 -4.81000 -1.21000 -1.07000 -7.09000 -0.14000 6.91000 -9.24000 0.39000 4.15000 2.60000 0.00000 0.00000 0.00000 0.24000 0.89000 0.00000 -0.23000 0.00000 -0.12000 0.00000 2.38000 62.00000 PIN3_1CKA-11_21.PDB 1.71305 -5.45000 -1.52000 -2.60000 -7.43000 -0.48000 7.55000 -9.53000 1.22000 5.22000 2.44000 0.00000 0.00000 0.00000 0.12000 0.97000 0.00000 -0.12000 0.00000 -0.34000 0.00000 2.38000 62.00000 PIN3_1CKA-11_22.PDB 2.03922 -4.73000 -0.69000 -3.58000 -7.09000 -0.52000 7.03000 -9.22000 2.47000 5.11000 2.26000 0.00000 0.00000 0.00000 0.13000 0.96000 0.00000 -0.14000 0.00000 -0.47000 0.00000 2.38000 62.00000 PIN3_1CKA-11_23.PDB 1.83768 -4.65000 -1.40000 -1.28000 -7.15000 -0.47000 7.16000 -9.27000 1.22000 4.53000 2.40000 0.00000 0.00000 0.00000 0.16000 1.11000 0.00000 -0.15000 0.00000 -0.39000 0.00000 2.38000 62.00000 PIN3_1CKA-11_24.PDB 2.81406 -6.25000 -1.53000 -2.63000 -7.23000 -0.42000 7.37000 -9.26000 0.46000 5.02000 2.30000 0.00000 0.00000 0.00000 0.13000 0.77000 0.00000 -0.15000 0.00000 -0.31000 0.00000 2.38000 62.00000 PIN3_1CKA-11_25.PDB 6.12311 -4.79000 -1.34000 -1.20000 -7.20000 -0.32000 7.31000 -9.08000 0.30000 4.54000 2.48000 0.00000 0.00000 0.00000 0.13000 0.75000 0.00000 -0.19000 0.00000 -0.21000 0.00000 2.38000 62.00000 PIN3_1CKA-11_26.PDB 2.65566 -5.69000 -0.65000 -1.96000 -7.03000 -0.46000 7.19000 -9.10000 0.32000 4.06000 2.28000 0.00000 0.00000 0.00000 0.14000 0.76000 0.00000 -0.15000 0.00000 -0.33000 0.00000 2.38000 62.00000 PIN3_1CKA-11_27.PDB 2.27569 -7.69000 -0.66000 -1.99000 -7.17000 -0.57000 6.35000 -9.92000 0.25000 4.11000 1.95000 0.00000 0.00000 0.00000 0.34000 1.02000 0.00000 -0.11000 0.00000 -0.29000 0.00000 2.38000 62.00000 PIN3_1CKA-11_28.PDB 2.71435 -6.12000 -1.53000 -2.81000 -7.22000 -0.41000 7.40000 -9.26000 0.27000 5.04000 2.50000 0.00000 0.00000 0.00000 0.32000 1.01000 0.00000 -0.15000 0.00000 -0.29000 0.00000 2.38000 62.00000 PIN3_1CKA-11_29.PDB 2.84119 -6.30000 -1.53000 -2.79000 -7.42000 -0.63000 7.67000 -9.39000 0.30000 5.30000 2.65000 0.00000 0.00000 0.00000 0.16000 0.86000 0.00000 -0.09000 0.00000 -0.54000 0.00000 2.38000 62.00000 PIN3_1CKA-11_30.PDB 3.10427 -6.25000 -1.19000 -2.46000 -7.00000 -0.42000 6.92000 -9.09000 0.45000 4.63000 2.58000 0.00000 0.00000 0.00000 0.12000 0.86000 0.00000 -0.31000 0.00000 -0.49000 0.00000 2.38000 62.00000