name total energy Backbone Hbon 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 4.02000 -37.54000 -11.39000 -66.19000 -2.88000 77.54000 -85.77000 9.45000 34.88000 85.01000 0.00000 0.00000 0.00000 3.60000 14.63000 0.00000 -1.65000 0.00000 -1.03000 0.00000 0.00000 65.00000 PIN3_1CKB-29_2.PDB 2.56000 -38.46000 -9.91000 -66.66000 -3.38000 77.96000 -86.20000 9.64000 33.88000 85.21000 0.00000 0.00000 0.00000 3.46000 14.63000 0.00000 -1.86000 0.00000 -1.12000 0.00000 0.00000 65.00000 PIN3_1CKB-29_3.PDB 3.44000 -37.89000 -11.61000 -66.57000 -2.98000 78.05000 -86.18000 9.41000 35.54000 85.28000 0.00000 0.00000 0.00000 3.60000 14.63000 0.00000 -1.97000 0.00000 -1.24000 0.00000 0.00000 65.00000 PIN3_1CKB-29_4.PDB 4.46000 -37.57000 -8.96000 -66.55000 -3.42000 77.62000 -86.15000 9.64000 34.11000 85.00000 0.00000 0.00000 0.00000 3.72000 14.59000 0.00000 -1.66000 0.00000 -1.32000 0.00000 0.00000 65.00000 PIN3_1CKB-29_5.PDB 3.91000 -39.19000 -11.05000 -67.22000 -2.67000 79.48000 -86.49000 10.21000 34.86000 85.81000 0.00000 0.00000 0.00000 3.33000 14.75000 0.00000 -2.06000 0.00000 -1.10000 0.00000 0.00000 65.00000 PIN3_1CKB-29_6.PDB 3.98000 -37.70000 -9.21000 -66.45000 -2.99000 77.62000 -86.13000 9.64000 32.98000 85.22000 0.00000 0.00000 0.00000 4.09000 14.56000 0.00000 -1.82000 0.00000 -1.26000 0.00000 0.00000 65.00000 PIN3_1CKB-29_7.PDB 3.20000 -38.08000 -11.79000 -66.84000 -2.86000 78.40000 -86.34000 9.41000 35.56000 85.21000 0.00000 0.00000 0.00000 3.73000 14.61000 0.00000 -2.03000 0.00000 -1.16000 0.00000 0.00000 65.00000 PIN3_1CKB-29_8.PDB 3.66000 -37.26000 -8.75000 -66.14000 -3.41000 77.19000 -85.71000 9.19000 32.75000 85.18000 0.00000 0.00000 0.00000 3.49000 14.52000 0.00000 -1.58000 0.00000 -1.30000 0.00000 0.00000 65.00000 PIN3_1CKB-29_9.PDB 4.39000 -38.04000 -9.47000 -67.22000 -3.24000 78.36000 -86.93000 10.94000 34.47000 85.40000 0.00000 0.00000 0.00000 3.02000 14.69000 0.00000 -1.79000 0.00000 -1.12000 0.00000 0.00000 65.00000 PIN3_1CKB-29_10.PDB 3.22000 -37.97000 -9.69000 -66.69000 -2.89000 77.98000 -86.32000 9.64000 33.59000 84.64000 0.00000 0.00000 0.00000 3.37000 14.58000 0.00000 -1.56000 0.00000 -0.87000 0.00000 0.00000 65.00000 PIN3_1CKB-29_11.PDB 2.55000 -38.31000 -9.54000 -67.20000 -3.46000 78.21000 -87.03000 9.74000 34.09000 85.59000 0.00000 0.00000 0.00000 3.47000 14.73000 0.00000 -1.74000 0.00000 -1.28000 0.00000 0.00000 65.00000 PIN3_1CKB-29_12.PDB 2.34000 -38.10000 -10.28000 -66.61000 -2.81000 77.66000 -86.29000 9.53000 33.96000 84.58000 0.00000 0.00000 0.00000 3.35000 14.57000 0.00000 -1.78000 0.00000 -0.88000 0.00000 0.00000 65.00000 PIN3_1CKB-29_13.PDB 3.69000 -36.54000 -8.80000 -66.59000 -2.96000 77.29000 -86.53000 9.21000 32.72000 85.13000 0.00000 0.00000 0.00000 3.53000 14.56000 0.00000 -1.69000 0.00000 -1.10000 0.00000 0.00000 65.00000 PIN3_1CKB-29_14.PDB 3.06000 -37.44000 -11.69000 -67.44000 -3.25000 79.05000 -87.26000 9.70000 35.56000 85.72000 0.00000 0.00000 0.00000 3.56000 14.81000 0.00000 -2.01000 0.00000 -1.45000 0.00000 0.00000 65.00000 PIN3_1CKB-29_15.PDB 4.07000 -37.10000 -10.29000 -66.44000 -3.19000 77.45000 -86.15000 10.61000 34.20000 84.67000 0.00000 0.00000 0.00000 3.14000 14.72000 0.00000 -1.72000 0.00000 -1.12000 0.00000 0.00000 65.00000 PIN3_1CKB-29_16.PDB 2.71000 -38.34000 -9.71000 -67.07000 -3.31000 78.36000 -86.62000 9.73000 33.93000 84.66000 0.00000 0.00000 0.00000 3.63000 14.67000 0.00000 -1.54000 0.00000 -1.01000 0.00000 0.00000 65.00000 PIN3_1CKB-29_17.PDB 3.97000 -37.09000 -8.50000 -66.13000 -3.41000 77.10000 -85.82000 9.30000 33.00000 84.86000 0.00000 0.00000 0.00000 3.40000 14.51000 0.00000 -1.47000 0.00000 -1.28000 0.00000 0.00000 65.00000 PIN3_1CKB-29_18.PDB 2.84000 -37.67000 -9.07000 -67.02000 -3.35000 77.74000 -86.98000 9.42000 33.55000 85.36000 0.00000 0.00000 0.00000 3.71000 14.74000 0.00000 -1.66000 0.00000 -1.20000 0.00000 0.00000 65.00000 PIN3_1CKB-29_19.PDB 3.47000 -37.90000 -9.32000 -66.97000 -3.13000 77.87000 -86.95000 9.70000 33.73000 85.78000 0.00000 0.00000 0.00000 3.50000 14.68000 0.00000 -1.78000 0.00000 -1.05000 0.00000 0.00000 65.00000 PIN3_1CKB-29_20.PDB 3.86000 -38.24000 -10.40000 -66.69000 -2.65000 77.78000 -86.28000 10.66000 34.18000 84.61000 0.00000 0.00000 0.00000 3.48000 14.53000 0.00000 -1.69000 0.00000 -0.90000 0.00000 0.00000 65.00000 PIN3_1CKB-29_21.PDB 3.84000 -37.93000 -10.98000 -65.90000 -3.23000 77.31000 -85.28000 9.80000 34.72000 84.90000 0.00000 0.00000 0.00000 3.19000 14.64000 0.00000 -1.66000 0.00000 -1.10000 0.00000 0.00000 65.00000 PIN3_1CKB-29_22.PDB 3.87000 -36.31000 -10.04000 -66.67000 -3.57000 78.05000 -86.31000 9.57000 33.90000 84.80000 0.00000 0.00000 0.00000 3.64000 14.61000 0.00000 -1.71000 0.00000 -1.48000 0.00000 0.00000 65.00000 PIN3_1CKB-29_23.PDB 3.73000 -36.86000 -7.97000 -66.19000 -3.26000 76.95000 -85.98000 9.45000 32.08000 84.81000 0.00000 0.00000 0.00000 3.43000 14.54000 0.00000 -1.66000 0.00000 -1.05000 0.00000 0.00000 65.00000 PIN3_1CKB-29_24.PDB 3.59000 -36.41000 -9.75000 -66.63000 -3.38000 77.68000 -86.45000 9.34000 33.74000 84.76000 0.00000 0.00000 0.00000 3.55000 14.74000 0.00000 -1.66000 0.00000 -1.20000 0.00000 0.00000 65.00000 PIN3_1CKB-29_25.PDB 3.10000 -37.36000 -10.82000 -67.71000 -2.80000 78.79000 -87.69000 9.53000 35.32000 85.13000 0.00000 0.00000 0.00000 3.52000 14.81000 0.00000 -1.70000 0.00000 -1.12000 0.00000 0.00000 65.00000 PIN3_1CKB-29_26.PDB 1.16000 -38.52000 -10.21000 -67.49000 -3.25000 78.49000 -87.39000 9.43000 34.50000 84.86000 0.00000 0.00000 0.00000 3.46000 14.70000 0.00000 -1.76000 0.00000 -0.95000 0.00000 0.00000 65.00000 PIN3_1CKB-29_27.PDB 3.33000 -38.23000 -10.41000 -66.07000 -2.87000 77.09000 -85.82000 9.34000 34.02000 85.70000 0.00000 0.00000 0.00000 3.39000 14.61000 0.00000 -1.77000 0.00000 -1.05000 0.00000 0.00000 65.00000 PIN3_1CKB-29_28.PDB 3.61000 -38.32000 -9.47000 -66.53000 -3.37000 77.90000 -86.15000 9.92000 33.53000 85.88000 0.00000 0.00000 0.00000 3.14000 14.70000 0.00000 -1.68000 0.00000 -1.25000 0.00000 0.00000 65.00000 PIN3_1CKB-29_29.PDB 2.97000 -38.45000 -10.16000 -67.04000 -2.85000 78.93000 -86.65000 9.44000 34.39000 84.82000 0.00000 0.00000 0.00000 3.42000 14.73000 0.00000 -1.74000 0.00000 -1.13000 0.00000 0.00000 65.00000 PIN3_1CKB-29_30.PDB 3.93000 -38.32000 -9.53000 -66.56000 -3.43000 78.71000 -85.68000 9.81000 32.72000 85.39000 0.00000 0.00000 0.00000 3.54000 14.72000 0.00000 -1.63000 0.00000 -1.11000 0.00000 0.00000 65.00000