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-9_1.PDB 3.46465 -11.58000 -1.45000 -4.37000 -9.47000 -0.13000 7.99000 -13.25000 1.29000 6.14000 2.39000 0.00000 0.00000 0.00000 0.04000 0.66000 0.00000 -0.68000 0.00000 -0.08000 0.00000 2.38000 63.00000 LSB1_1CKA-9_2.PDB 2.22208 -11.33000 -1.50000 -4.75000 -9.08000 -0.19000 7.77000 -12.74000 1.35000 6.02000 2.50000 0.00000 0.00000 0.00000 0.03000 0.72000 0.00000 -0.66000 0.00000 -0.09000 0.00000 2.38000 63.00000 LSB1_1CKA-9_3.PDB 4.95897 -10.85000 -1.42000 -4.68000 -9.14000 -0.18000 7.95000 -12.72000 1.80000 5.90000 2.38000 0.00000 0.00000 0.00000 0.18000 0.68000 0.00000 -0.83000 0.00000 -0.09000 0.00000 2.38000 63.00000 LSB1_1CKA-9_4.PDB 5.45719 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0.00000 -0.16000 0.00000 2.38000 63.00000 LSB1_1CKA-9_9.PDB 6.17744 -8.66000 -0.71000 -0.63000 -8.32000 -0.05000 5.28000 -12.22000 2.46000 3.68000 2.07000 0.00000 0.00000 0.00000 0.09000 0.46000 0.00000 -0.28000 0.00000 -0.04000 0.00000 2.38000 63.00000 LSB1_1CKA-9_10.PDB 2.47321 -10.34000 -1.48000 -2.91000 -9.24000 -0.21000 7.41000 -12.68000 1.60000 5.36000 2.52000 0.00000 0.00000 0.00000 0.02000 0.57000 0.00000 -0.62000 0.00000 -0.11000 0.00000 2.38000 63.00000 LSB1_1CKA-9_11.PDB 2.08489 -9.67000 -1.54000 -3.14000 -8.93000 -0.13000 7.75000 -12.53000 1.38000 5.61000 2.67000 0.00000 0.00000 0.00000 0.03000 0.69000 0.00000 -0.76000 0.00000 -0.10000 0.00000 2.38000 63.00000 LSB1_1CKA-9_12.PDB 4.87509 -11.43000 -1.57000 -4.71000 -9.20000 -0.19000 7.62000 -13.05000 1.49000 6.11000 2.80000 0.00000 0.00000 0.00000 0.03000 0.67000 0.00000 -0.68000 0.00000 -0.08000 0.00000 2.38000 63.00000 LSB1_1CKA-9_13.PDB 6.82505 -10.90000 -1.52000 -4.68000 -9.35000 -0.28000 7.86000 -13.14000 1.41000 6.36000 3.14000 0.00000 0.00000 0.00000 0.04000 0.61000 0.00000 -0.60000 0.00000 -0.15000 0.00000 2.38000 63.00000 LSB1_1CKA-9_14.PDB 6.78094 -10.22000 -0.63000 -3.76000 -9.24000 -0.20000 6.77000 -13.08000 2.84000 5.10000 2.26000 0.00000 0.00000 0.00000 0.03000 0.56000 0.00000 -0.21000 0.00000 -0.11000 0.00000 2.38000 63.00000 LSB1_1CKA-9_15.PDB 3.24672 -10.37000 -1.48000 -2.53000 -9.57000 -0.14000 7.60000 -13.11000 1.69000 5.45000 2.46000 0.00000 0.00000 0.00000 0.03000 0.69000 0.00000 -0.66000 0.00000 -0.11000 0.00000 2.38000 63.00000 LSB1_1CKA-9_16.PDB 5.30039 -10.12000 -1.44000 -4.60000 -9.03000 -0.13000 7.95000 -12.36000 1.38000 6.08000 2.61000 0.00000 0.00000 0.00000 0.12000 0.72000 0.00000 -0.61000 0.00000 -0.08000 0.00000 2.38000 63.00000 LSB1_1CKA-9_17.PDB 3.33589 -8.98000 -0.63000 -2.02000 -9.11000 -0.14000 6.44000 -13.21000 3.71000 4.09000 2.18000 0.00000 0.00000 0.00000 0.02000 0.57000 0.00000 -0.27000 0.00000 -0.04000 0.00000 2.38000 63.00000 LSB1_1CKA-9_18.PDB 3.19714 -11.39000 -1.44000 -4.62000 -9.32000 -0.25000 7.99000 -13.04000 1.40000 6.08000 2.59000 0.00000 0.00000 0.00000 0.03000 0.65000 0.00000 -0.67000 0.00000 -0.14000 0.00000 2.38000 63.00000 LSB1_1CKA-9_19.PDB 3.19564 -11.27000 -1.43000 -4.64000 -9.09000 -0.57000 8.11000 -12.43000 1.39000 6.20000 2.45000 0.00000 0.00000 0.00000 0.03000 0.73000 0.00000 -0.77000 0.00000 -0.53000 0.00000 2.38000 63.00000 LSB1_1CKA-9_20.PDB 2.13413 -9.27000 -0.55000 -2.14000 -7.72000 -0.11000 5.59000 -11.06000 1.48000 3.31000 2.12000 0.00000 0.00000 0.00000 0.01000 0.56000 0.00000 -0.16000 0.00000 -0.04000 0.00000 2.38000 63.00000 LSB1_1CKA-9_21.PDB 2.40189 -10.23000 -0.56000 -3.69000 -8.48000 -0.22000 6.72000 -11.82000 1.46000 4.76000 2.06000 0.00000 0.00000 0.00000 0.04000 0.47000 0.00000 -0.35000 0.00000 -0.15000 0.00000 2.38000 63.00000 LSB1_1CKA-9_22.PDB 5.08139 -11.04000 -1.44000 -4.67000 -9.32000 -0.18000 7.84000 -12.99000 1.42000 6.21000 2.62000 0.00000 0.00000 0.00000 0.12000 0.65000 0.00000 -0.56000 0.00000 -0.08000 0.00000 2.38000 63.00000 LSB1_1CKA-9_23.PDB 7.02078 -9.07000 -0.66000 -1.97000 -8.45000 -0.11000 6.41000 -11.61000 0.56000 4.24000 2.97000 0.00000 0.00000 0.00000 0.04000 0.46000 0.00000 -0.42000 0.00000 -0.07000 0.00000 2.38000 63.00000 LSB1_1CKA-9_24.PDB 2.66279 -10.43000 -1.38000 -4.20000 -9.14000 -0.16000 7.88000 -12.84000 1.50000 5.99000 2.70000 0.00000 0.00000 0.00000 0.04000 0.68000 0.00000 -0.74000 0.00000 -0.08000 0.00000 2.38000 63.00000 LSB1_1CKA-9_25.PDB 5.16636 -8.33000 -1.43000 -4.40000 -8.02000 -0.18000 7.61000 -10.80000 2.04000 5.29000 2.40000 0.00000 0.00000 0.00000 0.06000 0.50000 0.00000 -0.85000 0.00000 -0.07000 0.00000 2.38000 63.00000 LSB1_1CKA-9_26.PDB 4.02965 -10.82000 -1.57000 -2.99000 -9.35000 -0.20000 7.43000 -12.80000 1.43000 5.38000 2.57000 0.00000 0.00000 0.00000 0.04000 0.66000 0.00000 -0.66000 0.00000 -0.10000 0.00000 2.38000 63.00000 LSB1_1CKA-9_27.PDB 3.51484 -8.73000 -0.60000 -0.51000 -8.64000 -0.19000 6.56000 -12.25000 1.41000 3.68000 2.34000 0.00000 0.00000 0.00000 0.04000 0.45000 0.00000 -0.46000 0.00000 -0.12000 0.00000 2.38000 63.00000 LSB1_1CKA-9_28.PDB 2.54549 -10.37000 -1.42000 -2.54000 -9.32000 -0.23000 7.34000 -12.77000 1.25000 5.35000 2.52000 0.00000 0.00000 0.00000 0.03000 0.58000 0.00000 -0.42000 0.00000 -0.16000 0.00000 2.38000 63.00000 LSB1_1CKA-9_29.PDB 2.86409 -12.68000 -3.29000 -4.70000 -9.65000 -1.73000 10.11000 -12.38000 1.49000 7.13000 2.51000 0.00000 0.00000 0.00000 0.03000 0.66000 0.00000 -0.95000 0.00000 -1.26000 0.00000 2.38000 63.00000 LSB1_1CKA-9_30.PDB 2.68861 -10.10000 -1.52000 -4.44000 -9.12000 -0.28000 7.69000 -12.86000 2.45000 6.17000 2.67000 0.00000 0.00000 0.00000 0.03000 0.61000 0.00000 -0.70000 0.00000 -0.20000 0.00000 2.38000 63.00000