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 LSB1_1CKA-23_1.PDB 2.02405 -7.91000 -1.21000 -1.97000 -5.71000 -0.69000 5.01000 -7.82000 0.42000 3.28000 1.65000 0.00000 0.00000 0.00000 0.05000 0.28000 0.00000 -0.35000 0.00000 -0.57000 0.00000 2.38000 62.00000 LSB1_1CKA-23_2.PDB 2.53772 -8.34000 -1.20000 -1.47000 -5.71000 -0.71000 4.80000 -7.93000 0.49000 3.04000 1.29000 0.00000 0.00000 0.00000 0.03000 0.37000 0.00000 -0.34000 0.00000 -0.64000 0.00000 2.38000 62.00000 LSB1_1CKA-23_3.PDB 2.45254 -8.50000 -1.21000 -3.53000 -5.81000 -0.42000 4.91000 -8.11000 0.46000 4.18000 1.81000 0.00000 0.00000 0.00000 0.04000 0.36000 0.00000 -0.49000 0.00000 -0.35000 0.00000 2.38000 62.00000 LSB1_1CKA-23_4.PDB 2.38460 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-0.63000 0.00000 2.38000 62.00000 LSB1_1CKA-23_9.PDB 2.44656 -9.02000 -1.22000 -3.26000 -5.69000 -0.49000 4.74000 -7.98000 0.47000 3.99000 1.28000 0.00000 0.00000 0.00000 0.04000 0.29000 0.00000 -0.48000 0.00000 -0.42000 0.00000 2.38000 62.00000 LSB1_1CKA-23_10.PDB 3.24602 -9.75000 -1.25000 -5.05000 -5.86000 -0.79000 5.41000 -8.01000 0.62000 4.60000 1.88000 0.00000 0.00000 0.00000 0.04000 0.39000 0.00000 -0.71000 0.00000 -0.62000 0.00000 2.38000 62.00000 LSB1_1CKA-23_11.PDB 2.51856 -9.05000 -1.23000 -2.80000 -5.99000 -0.42000 4.81000 -8.49000 0.51000 3.94000 1.37000 0.00000 0.00000 0.00000 0.05000 0.44000 0.00000 -0.45000 0.00000 -0.35000 0.00000 2.38000 62.00000 LSB1_1CKA-23_12.PDB 4.85637 -8.53000 -1.22000 -3.31000 -5.89000 -0.63000 5.32000 -8.02000 0.66000 3.48000 1.81000 0.00000 0.00000 0.00000 0.05000 0.31000 0.00000 -0.39000 0.00000 -0.38000 0.00000 2.38000 62.00000 LSB1_1CKA-23_13.PDB 2.42889 -7.72000 -1.23000 -1.53000 -5.78000 -0.25000 4.76000 -8.24000 0.43000 2.95000 1.72000 0.00000 0.00000 0.00000 0.04000 0.32000 0.00000 -0.34000 0.00000 -0.25000 0.00000 2.38000 62.00000 LSB1_1CKA-23_14.PDB 2.87826 -7.59000 -1.23000 -2.34000 -6.07000 -0.88000 5.28000 -8.41000 0.72000 4.22000 2.17000 0.00000 0.00000 0.00000 0.05000 0.50000 0.00000 -0.32000 0.00000 -0.79000 0.00000 2.38000 62.00000 LSB1_1CKA-23_15.PDB 2.48836 -8.14000 -1.22000 -1.57000 -5.79000 -0.25000 4.66000 -8.32000 0.54000 3.01000 1.30000 0.00000 0.00000 0.00000 0.04000 0.32000 0.00000 -0.31000 0.00000 -0.24000 0.00000 2.38000 62.00000 LSB1_1CKA-23_16.PDB 2.31942 -7.47000 -1.21000 -1.53000 -5.72000 -0.08000 4.63000 -8.20000 0.40000 2.90000 1.68000 0.00000 0.00000 0.00000 0.05000 0.30000 0.00000 -0.33000 0.00000 -0.06000 0.00000 2.38000 62.00000 LSB1_1CKA-23_17.PDB 2.62763 -8.57000 -1.24000 -1.51000 -5.74000 -0.81000 4.91000 -7.96000 0.50000 3.01000 1.48000 0.00000 0.00000 0.00000 0.05000 0.37000 0.00000 -0.58000 0.00000 -0.68000 0.00000 2.38000 62.00000 LSB1_1CKA-23_18.PDB 2.45061 -7.46000 -1.17000 -1.49000 -5.79000 -0.59000 4.88000 -8.07000 0.51000 3.00000 2.03000 0.00000 0.00000 0.00000 0.05000 0.47000 0.00000 -0.34000 0.00000 -0.47000 0.00000 2.38000 62.00000 LSB1_1CKA-23_19.PDB 4.17125 -7.56000 -1.22000 -1.50000 -5.79000 -0.07000 4.64000 -8.25000 0.63000 2.97000 1.46000 0.00000 0.00000 0.00000 0.05000 0.37000 0.00000 -0.42000 0.00000 -0.06000 0.00000 2.38000 62.00000 LSB1_1CKA-23_20.PDB 5.03909 -9.02000 -1.22000 -2.90000 -6.61000 -0.65000 5.31000 -9.28000 0.76000 4.38000 2.27000 0.00000 0.00000 0.00000 0.04000 0.52000 0.00000 -0.49000 0.00000 -0.63000 0.00000 2.38000 62.00000 LSB1_1CKA-23_21.PDB 2.83989 -7.75000 -1.20000 -1.13000 -6.15000 -0.63000 5.21000 -8.49000 0.53000 3.12000 1.85000 0.00000 0.00000 0.00000 0.06000 0.52000 0.00000 -0.40000 0.00000 -0.52000 0.00000 2.38000 62.00000 LSB1_1CKA-23_22.PDB 2.41159 -7.85000 -1.25000 -2.41000 -5.80000 -0.61000 4.84000 -8.12000 0.53000 4.08000 1.59000 0.00000 0.00000 0.00000 0.06000 0.50000 0.00000 -0.29000 0.00000 -0.48000 0.00000 2.38000 62.00000 LSB1_1CKA-23_23.PDB 2.82765 -9.25000 -1.23000 -1.15000 -6.62000 -0.78000 5.29000 -9.23000 0.73000 3.58000 1.26000 0.00000 0.00000 0.00000 0.04000 0.44000 0.00000 -0.44000 0.00000 -0.70000 0.00000 2.38000 62.00000 LSB1_1CKA-23_24.PDB 4.80114 -8.54000 -1.23000 -2.92000 -6.16000 -0.42000 4.96000 -8.59000 0.57000 4.08000 2.02000 0.00000 0.00000 0.00000 0.06000 0.44000 0.00000 -0.54000 0.00000 -0.35000 0.00000 2.38000 62.00000 LSB1_1CKA-23_25.PDB 3.25498 -9.07000 -1.23000 -2.92000 -6.11000 -0.89000 5.55000 -8.40000 0.65000 3.48000 1.83000 0.00000 0.00000 0.00000 0.04000 0.43000 0.00000 -0.40000 0.00000 -0.68000 0.00000 2.38000 62.00000 LSB1_1CKA-23_26.PDB 5.00798 -8.24000 -1.22000 -1.15000 -6.11000 -0.60000 4.96000 -8.56000 0.57000 3.07000 1.51000 0.00000 0.00000 0.00000 0.05000 0.43000 0.00000 -0.29000 0.00000 -0.48000 0.00000 2.38000 62.00000 LSB1_1CKA-23_27.PDB 3.20786 -8.61000 -1.25000 -3.27000 -5.91000 -0.76000 5.62000 -7.97000 0.55000 3.53000 1.80000 0.00000 0.00000 0.00000 0.04000 0.36000 0.00000 -0.49000 0.00000 -0.51000 0.00000 2.38000 62.00000 LSB1_1CKA-23_28.PDB 2.39670 -8.47000 -1.24000 -1.15000 -6.04000 -0.49000 4.79000 -8.47000 0.51000 3.06000 1.34000 0.00000 0.00000 0.00000 0.05000 0.46000 0.00000 -0.46000 0.00000 -0.38000 0.00000 2.38000 62.00000 LSB1_1CKA-23_29.PDB 6.21077 -9.76000 -1.23000 -4.68000 -6.22000 -0.57000 5.34000 -8.62000 0.60000 4.49000 1.99000 0.00000 0.00000 0.00000 0.07000 0.52000 0.00000 -0.58000 0.00000 -0.35000 0.00000 2.38000 62.00000 LSB1_1CKA-23_30.PDB 1.82633 -7.43000 -1.22000 -1.16000 -6.00000 -0.30000 5.08000 -8.43000 0.52000 2.82000 1.94000 0.00000 0.00000 0.00000 0.04000 0.36000 0.00000 -0.38000 0.00000 -0.32000 0.00000 2.38000 62.00000