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 HSE1_1SEM-26_1.PDB 2.84210 -10.73000 -2.07000 -4.47000 -8.43000 -2.69000 10.04000 -9.78000 0.39000 5.87000 3.35000 0.00000 0.00000 0.00000 0.21000 0.78000 0.00000 -1.37000 0.00000 -1.78000 0.00000 2.38000 64.00000 HSE1_1SEM-26_2.PDB 2.73922 -11.21000 -1.88000 -4.43000 -8.34000 -2.76000 9.75000 -9.74000 0.32000 5.97000 2.99000 0.00000 0.00000 0.00000 0.17000 0.87000 0.00000 -1.49000 0.00000 -1.78000 0.00000 2.38000 64.00000 HSE1_1SEM-26_3.PDB 3.07481 -12.81000 -2.88000 -6.66000 -8.99000 -3.09000 11.43000 -10.14000 0.54000 7.30000 2.64000 0.00000 0.00000 0.00000 0.32000 0.86000 0.00000 -1.03000 0.00000 -2.26000 0.00000 2.38000 64.00000 HSE1_1SEM-26_4.PDB 3.05204 -13.32000 -4.50000 -6.40000 -10.42000 -3.61000 13.67000 -11.29000 2.83000 7.08000 3.27000 0.00000 0.00000 0.00000 0.29000 0.84000 0.00000 -1.78000 0.00000 -2.43000 0.00000 2.38000 64.00000 HSE1_1SEM-26_5.PDB 2.77036 -11.65000 -2.93000 -5.52000 -8.86000 -2.86000 11.04000 -10.11000 1.07000 6.85000 3.32000 0.00000 0.00000 0.00000 0.25000 0.91000 0.00000 -1.97000 0.00000 -1.94000 0.00000 2.38000 64.00000 HSE1_1SEM-26_6.PDB 2.50584 -8.59000 -1.10000 -2.77000 -7.66000 -2.59000 8.41000 -9.02000 0.97000 5.14000 2.77000 0.00000 0.00000 0.00000 0.08000 0.75000 0.00000 -0.88000 0.00000 -1.95000 0.00000 2.38000 64.00000 HSE1_1SEM-26_7.PDB 3.04433 -10.83000 -2.03000 -4.09000 -8.47000 -2.94000 10.36000 -9.67000 1.05000 5.48000 2.79000 0.00000 0.00000 0.00000 0.21000 0.79000 0.00000 -1.54000 0.00000 -1.99000 0.00000 2.38000 64.00000 HSE1_1SEM-26_8.PDB 3.03548 -10.62000 -2.54000 -4.86000 -8.50000 -2.66000 10.47000 -9.82000 1.76000 5.66000 3.06000 0.00000 0.00000 0.00000 0.25000 0.74000 0.00000 -1.78000 0.00000 -1.67000 0.00000 2.38000 64.00000 HSE1_1SEM-26_9.PDB 4.42448 -12.10000 -3.66000 -5.83000 -9.13000 -2.81000 11.87000 -10.07000 0.79000 7.06000 2.75000 0.00000 0.00000 0.00000 0.31000 0.80000 0.00000 -1.54000 0.00000 -1.84000 0.00000 2.38000 64.00000 HSE1_1SEM-26_10.PDB 2.63654 -11.49000 -2.57000 -4.89000 -8.68000 -2.81000 10.27000 -10.22000 1.48000 5.78000 3.19000 0.00000 0.00000 0.00000 0.28000 0.85000 0.00000 -1.57000 0.00000 -1.77000 0.00000 2.38000 64.00000 HSE1_1SEM-26_11.PDB 3.64003 -9.54000 -1.62000 -4.23000 -8.97000 -3.03000 10.77000 -10.22000 1.42000 5.21000 3.40000 0.00000 0.00000 0.00000 0.27000 0.95000 0.00000 -0.81000 0.00000 -1.72000 0.00000 2.38000 64.00000 HSE1_1SEM-26_12.PDB 2.69658 -10.43000 -1.99000 -4.53000 -8.18000 -2.69000 9.80000 -9.48000 1.04000 5.75000 2.71000 0.00000 0.00000 0.00000 0.23000 0.79000 0.00000 -1.31000 0.00000 -1.79000 0.00000 2.38000 64.00000 HSE1_1SEM-26_13.PDB 2.59526 -12.50000 -3.43000 -6.60000 -9.50000 -3.56000 12.44000 -10.50000 1.72000 7.49000 3.45000 0.00000 0.00000 0.00000 0.30000 0.83000 0.00000 -2.14000 0.00000 -2.18000 0.00000 2.38000 64.00000 HSE1_1SEM-26_14.PDB 2.73760 -10.61000 -1.84000 -4.46000 -8.71000 -2.86000 10.31000 -10.18000 0.98000 5.86000 2.96000 0.00000 0.00000 0.00000 0.24000 0.92000 0.00000 -1.09000 0.00000 -1.84000 0.00000 2.38000 64.00000 HSE1_1SEM-26_15.PDB 2.77184 -10.83000 -2.04000 -4.66000 -8.43000 -2.71000 10.17000 -9.76000 0.98000 5.80000 3.01000 0.00000 0.00000 0.00000 0.20000 0.85000 0.00000 -1.66000 0.00000 -1.73000 0.00000 2.38000 64.00000 HSE1_1SEM-26_16.PDB 3.07267 -10.77000 -2.03000 -4.54000 -8.22000 -2.72000 9.68000 -9.55000 0.79000 5.94000 2.99000 0.00000 0.00000 0.00000 0.17000 0.81000 0.00000 -1.52000 0.00000 -1.76000 0.00000 2.38000 64.00000 HSE1_1SEM-26_17.PDB 2.90969 -11.47000 -1.93000 -4.83000 -8.83000 -3.51000 11.23000 -9.99000 0.66000 6.39000 2.64000 0.00000 0.00000 0.00000 0.25000 0.84000 0.00000 -1.12000 0.00000 -2.43000 0.00000 2.38000 64.00000 HSE1_1SEM-26_18.PDB 2.75652 -11.47000 -2.89000 -5.46000 -8.57000 -3.07000 10.60000 -9.65000 1.22000 6.83000 2.92000 0.00000 0.00000 0.00000 0.21000 0.72000 0.00000 -1.57000 0.00000 -2.05000 0.00000 2.38000 64.00000 HSE1_1SEM-26_19.PDB 3.75183 -11.63000 -2.81000 -3.71000 -8.92000 -2.32000 9.84000 -10.61000 0.63000 5.45000 2.99000 0.00000 0.00000 0.00000 0.28000 0.69000 0.00000 -1.07000 0.00000 -1.38000 0.00000 2.38000 64.00000 HSE1_1SEM-26_20.PDB 3.24910 -9.59000 -2.93000 -4.15000 -8.66000 -2.88000 10.91000 -9.84000 1.51000 6.12000 3.31000 0.00000 0.00000 0.00000 0.16000 0.77000 0.00000 -1.20000 0.00000 -1.93000 0.00000 2.38000 64.00000 HSE1_1SEM-26_21.PDB 4.17335 -10.86000 -1.84000 -4.48000 -8.24000 -3.22000 10.29000 -9.33000 1.17000 5.72000 2.55000 0.00000 0.00000 0.00000 0.19000 0.75000 0.00000 -1.62000 0.00000 -2.05000 0.00000 2.38000 64.00000 HSE1_1SEM-26_22.PDB 2.72691 -11.75000 -2.96000 -5.20000 -8.96000 -2.88000 11.16000 -10.28000 0.78000 6.61000 3.48000 0.00000 0.00000 0.00000 0.24000 0.86000 0.00000 -1.86000 0.00000 -1.88000 0.00000 2.38000 64.00000 HSE1_1SEM-26_23.PDB 3.71799 -10.69000 -1.91000 -4.53000 -8.50000 -2.19000 9.87000 -9.96000 0.31000 5.24000 3.13000 0.00000 0.00000 0.00000 0.29000 0.90000 0.00000 -1.09000 0.00000 -1.34000 0.00000 2.38000 64.00000 HSE1_1SEM-26_24.PDB 3.29380 -11.32000 -1.89000 -4.71000 -8.68000 -3.45000 10.98000 -9.93000 0.38000 6.08000 3.19000 0.00000 0.00000 0.00000 0.23000 0.94000 0.00000 -1.34000 0.00000 -2.20000 0.00000 2.38000 64.00000 HSE1_1SEM-26_25.PDB 3.39662 -9.34000 -2.89000 -3.78000 -8.58000 -3.30000 10.79000 -9.44000 1.59000 5.97000 3.90000 0.00000 0.00000 0.00000 0.17000 0.81000 0.00000 -1.57000 0.00000 -2.18000 0.00000 2.38000 64.00000 HSE1_1SEM-26_26.PDB 3.27875 -10.54000 -2.42000 -4.63000 -8.47000 -2.96000 10.56000 -9.64000 1.44000 6.04000 3.18000 0.00000 0.00000 0.00000 0.20000 0.79000 0.00000 -1.85000 0.00000 -1.98000 0.00000 2.38000 64.00000 HSE1_1SEM-26_27.PDB 3.16426 -10.76000 -1.87000 -2.80000 -8.26000 -2.08000 8.95000 -10.18000 0.36000 4.22000 2.78000 0.00000 0.00000 0.00000 0.16000 0.71000 0.00000 -0.74000 0.00000 -1.31000 0.00000 2.38000 64.00000 HSE1_1SEM-26_28.PDB 3.22121 -12.34000 -2.78000 -5.06000 -8.88000 -3.07000 11.03000 -10.18000 0.47000 6.83000 2.87000 0.00000 0.00000 0.00000 0.22000 0.82000 0.00000 -1.69000 0.00000 -2.09000 0.00000 2.38000 64.00000 HSE1_1SEM-26_29.PDB 3.55481 -10.97000 -2.15000 -3.00000 -8.33000 -2.05000 8.79000 -10.18000 0.58000 4.20000 3.31000 0.00000 0.00000 0.00000 0.25000 0.73000 0.00000 -1.17000 0.00000 -1.22000 0.00000 2.38000 64.00000 HSE1_1SEM-26_30.PDB 3.05568 -9.94000 -1.89000 -4.43000 -8.28000 -2.09000 8.87000 -10.18000 1.73000 5.22000 2.90000 0.00000 0.00000 0.00000 0.22000 0.76000 0.00000 -0.64000 0.00000 -1.37000 0.00000 2.38000 64.00000