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 SLA1-D3_UJ0-CSK-23_1.PDB 1.22935 -10.08000 -0.51000 -0.83000 -7.68000 -1.40000 5.19000 -11.26000 0.33000 4.46000 2.61000 0.00000 0.00000 0.00000 0.09000 0.46000 0.00000 -0.10000 0.00000 -0.99000 0.00000 2.38000 65.00000 SLA1-D3_UJ0-CSK-23_2.PDB 0.62409 -5.98000 -0.47000 -0.46000 -6.24000 -1.09000 4.86000 -8.87000 1.01000 2.98000 2.92000 0.00000 0.00000 0.00000 0.05000 0.46000 0.00000 -0.06000 0.00000 -0.62000 0.00000 2.38000 65.00000 SLA1-D3_UJ0-CSK-23_3.PDB 1.47229 -5.70000 -0.53000 -0.53000 -5.42000 -0.56000 3.73000 -8.04000 1.87000 2.12000 2.27000 0.00000 0.00000 0.00000 0.00000 0.37000 0.00000 -0.05000 0.00000 -0.56000 0.00000 2.38000 65.00000 SLA1-D3_UJ0-CSK-23_4.PDB 2.35189 -5.51000 -0.53000 -0.52000 -5.89000 -1.02000 4.47000 -8.41000 1.92000 2.46000 2.78000 0.00000 0.00000 0.00000 0.03000 0.56000 0.00000 -0.05000 0.00000 -0.75000 0.00000 2.38000 65.00000 SLA1-D3_UJ0-CSK-23_5.PDB 0.67638 -7.31000 -0.54000 -0.54000 -6.30000 -0.73000 4.66000 -9.24000 0.33000 2.98000 2.77000 0.00000 0.00000 0.00000 0.04000 0.32000 0.00000 -0.11000 0.00000 -0.65000 0.00000 2.38000 65.00000 SLA1-D3_UJ0-CSK-23_6.PDB 0.66112 -7.18000 -0.53000 -0.52000 -6.30000 -0.68000 4.71000 -9.25000 0.33000 2.88000 2.74000 0.00000 0.00000 0.00000 0.05000 0.33000 0.00000 -0.19000 0.00000 -0.42000 0.00000 2.38000 65.00000 SLA1-D3_UJ0-CSK-23_7.PDB 1.42431 -4.25000 -0.37000 -0.95000 -6.51000 -0.91000 4.79000 -9.24000 3.22000 3.70000 2.88000 0.00000 0.00000 0.00000 0.02000 0.29000 0.00000 -0.19000 0.00000 -0.69000 0.00000 2.38000 65.00000 SLA1-D3_UJ0-CSK-23_8.PDB 1.65990 -8.32000 -0.57000 -1.44000 -6.64000 -1.76000 5.37000 -9.38000 0.34000 4.21000 2.99000 0.00000 0.00000 0.00000 0.14000 0.37000 0.00000 -0.09000 0.00000 -1.47000 0.00000 2.38000 65.00000 SLA1-D3_UJ0-CSK-23_9.PDB 0.90411 -9.96000 -0.58000 -1.49000 -6.84000 -1.96000 5.45000 -9.72000 0.26000 4.15000 2.41000 0.00000 0.00000 0.00000 0.07000 0.47000 0.00000 -0.14000 0.00000 -1.57000 0.00000 2.38000 65.00000 SLA1-D3_UJ0-CSK-23_10.PDB 1.28136 -4.84000 -0.54000 -0.54000 -5.64000 -0.32000 3.80000 -8.29000 1.95000 2.30000 2.76000 0.00000 0.00000 0.00000 0.01000 0.26000 0.00000 -0.05000 0.00000 -0.27000 0.00000 2.38000 65.00000 SLA1-D3_UJ0-CSK-23_11.PDB 0.85713 -7.32000 -0.45000 -0.45000 -6.06000 -0.58000 3.99000 -9.22000 0.23000 3.04000 2.86000 0.00000 0.00000 0.00000 0.12000 0.32000 0.00000 -0.11000 0.00000 -0.70000 0.00000 2.38000 65.00000 SLA1-D3_UJ0-CSK-23_12.PDB 1.57525 -8.59000 -0.55000 -1.49000 -6.97000 -2.69000 5.92000 -9.41000 2.16000 4.34000 2.29000 0.00000 0.00000 0.00000 0.02000 0.62000 0.00000 -0.20000 0.00000 -2.01000 0.00000 2.38000 65.00000 SLA1-D3_UJ0-CSK-23_13.PDB 0.93405 -9.10000 -0.59000 -1.35000 -6.77000 -1.92000 5.53000 -9.59000 0.45000 4.05000 2.85000 0.00000 0.00000 0.00000 0.03000 0.40000 0.00000 -0.12000 0.00000 -1.67000 0.00000 2.38000 65.00000 SLA1-D3_UJ0-CSK-23_14.PDB 0.94467 -9.18000 -0.53000 -1.51000 -6.42000 -2.50000 5.33000 -8.74000 0.57000 3.94000 2.64000 0.00000 0.00000 0.00000 0.02000 0.43000 0.00000 -0.18000 0.00000 -1.79000 0.00000 2.38000 65.00000 SLA1-D3_UJ0-CSK-23_15.PDB 0.83462 -7.15000 -0.46000 -0.46000 -6.44000 -0.42000 4.08000 -9.87000 0.51000 3.34000 2.95000 0.00000 0.00000 0.00000 0.14000 0.46000 0.00000 -0.10000 0.00000 -0.42000 0.00000 2.38000 65.00000 SLA1-D3_UJ0-CSK-23_16.PDB 1.01624 -8.45000 -0.55000 -1.56000 -7.09000 -2.08000 6.24000 -9.79000 0.48000 4.64000 2.75000 0.00000 0.00000 0.00000 0.07000 0.42000 0.00000 -0.11000 0.00000 -1.45000 0.00000 2.38000 65.00000 SLA1-D3_UJ0-CSK-23_17.PDB 2.22551 -5.08000 -0.49000 -0.49000 -5.74000 -0.43000 3.75000 -8.62000 2.23000 2.50000 2.75000 0.00000 0.00000 0.00000 0.01000 0.48000 0.00000 -0.08000 0.00000 -0.49000 0.00000 2.38000 65.00000 SLA1-D3_UJ0-CSK-23_18.PDB 1.99193 -5.91000 -0.56000 -0.55000 -5.95000 -0.41000 3.81000 -8.98000 2.34000 2.55000 2.35000 0.00000 0.00000 0.00000 0.02000 0.50000 0.00000 -0.08000 0.00000 -0.46000 0.00000 2.38000 65.00000 SLA1-D3_UJ0-CSK-23_19.PDB 2.10918 -7.55000 -0.57000 -1.33000 -6.70000 -1.89000 5.80000 -9.06000 2.40000 3.41000 2.07000 0.00000 0.00000 0.00000 0.02000 0.52000 0.00000 -0.14000 0.00000 -1.54000 0.00000 2.38000 65.00000 SLA1-D3_UJ0-CSK-23_20.PDB 0.54735 -7.15000 -0.42000 -0.42000 -6.39000 -0.16000 4.12000 -9.71000 0.14000 3.16000 2.70000 0.00000 0.00000 0.00000 0.11000 0.39000 0.00000 -0.13000 0.00000 -0.16000 0.00000 2.38000 65.00000 SLA1-D3_UJ0-CSK-23_21.PDB 2.29151 -6.48000 -0.56000 -1.44000 -6.94000 -2.06000 6.19000 -9.26000 2.21000 4.22000 2.76000 0.00000 0.00000 0.00000 0.02000 0.32000 0.00000 -0.10000 0.00000 -1.52000 0.00000 2.38000 65.00000 SLA1-D3_UJ0-CSK-23_22.PDB 0.46533 -7.84000 -0.59000 -0.59000 -6.31000 -0.46000 3.98000 -9.70000 0.27000 3.19000 2.87000 0.00000 0.00000 0.00000 0.06000 0.32000 0.00000 -0.05000 0.00000 -0.52000 0.00000 2.38000 65.00000 SLA1-D3_UJ0-CSK-23_23.PDB 0.80014 -7.01000 -0.41000 -0.41000 -6.23000 -0.91000 4.53000 -9.14000 0.46000 3.02000 2.92000 0.00000 0.00000 0.00000 0.06000 0.38000 0.00000 -0.06000 0.00000 -0.82000 0.00000 2.38000 65.00000 SLA1-D3_UJ0-CSK-23_24.PDB 1.39472 -5.28000 -0.54000 -0.54000 -5.89000 -0.48000 3.78000 -8.90000 2.56000 2.61000 2.69000 0.00000 0.00000 0.00000 0.02000 0.43000 0.00000 -0.04000 0.00000 -0.56000 0.00000 2.38000 65.00000 SLA1-D3_UJ0-CSK-23_25.PDB 1.08491 -9.74000 -0.56000 -1.55000 -6.95000 -1.81000 5.26000 -10.04000 0.32000 4.61000 2.55000 0.00000 0.00000 0.00000 0.13000 0.50000 0.00000 -0.20000 0.00000 -1.50000 0.00000 2.38000 65.00000 SLA1-D3_UJ0-CSK-23_26.PDB 0.45591 -7.19000 -0.42000 -0.42000 -6.27000 -0.89000 4.55000 -9.20000 0.29000 3.02000 2.78000 0.00000 0.00000 0.00000 0.06000 0.34000 0.00000 -0.04000 0.00000 -0.67000 0.00000 2.38000 65.00000 SLA1-D3_UJ0-CSK-23_27.PDB 1.02124 -8.11000 -0.34000 -1.94000 -6.06000 -0.60000 4.37000 -9.00000 0.08000 3.68000 2.34000 0.00000 0.00000 0.00000 0.10000 0.46000 0.00000 -0.09000 0.00000 -0.65000 0.00000 2.38000 65.00000 SLA1-D3_UJ0-CSK-23_28.PDB 0.41836 -6.07000 -0.57000 -0.57000 -5.98000 -0.17000 3.66000 -9.09000 1.76000 2.51000 2.60000 0.00000 0.00000 0.00000 0.01000 0.36000 0.00000 -0.08000 0.00000 -0.15000 0.00000 2.38000 65.00000 SLA1-D3_UJ0-CSK-23_29.PDB 1.12596 -9.79000 -0.54000 -1.30000 -7.73000 -2.39000 6.28000 -10.70000 0.42000 5.01000 2.91000 0.00000 0.00000 0.00000 0.14000 0.53000 0.00000 -0.22000 0.00000 -1.66000 0.00000 2.38000 65.00000 SLA1-D3_UJ0-CSK-23_30.PDB 0.63701 -7.50000 -0.54000 -0.53000 -6.12000 -0.82000 4.35000 -9.09000 0.29000 2.84000 2.96000 0.00000 0.00000 0.00000 0.07000 0.42000 0.00000 -0.11000 0.00000 -0.78000 0.00000 2.38000 65.00000