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-14_1.PDB 5.02984 -10.57000 -3.93000 -8.29000 -11.99000 -4.55000 17.76000 -13.17000 2.48000 9.47000 4.88000 0.00000 0.00000 0.00000 0.35000 1.07000 0.00000 -0.74000 0.00000 -2.85000 0.00000 2.38000 64.00000 HSE1_1SEM-14_2.PDB 4.06931 -10.19000 -2.30000 -5.78000 -10.95000 -3.46000 15.08000 -12.42000 1.45000 7.70000 3.79000 0.00000 0.00000 0.00000 0.16000 1.16000 0.00000 -0.97000 0.00000 -2.48000 0.00000 2.38000 64.00000 HSE1_1SEM-14_3.PDB 4.44790 -9.65000 -2.28000 -5.77000 -9.89000 -3.36000 14.07000 -11.05000 0.55000 7.26000 3.62000 0.00000 0.00000 0.00000 0.32000 1.11000 0.00000 -0.70000 0.00000 -2.43000 0.00000 2.38000 64.00000 HSE1_1SEM-14_4.PDB 4.99038 -11.76000 -4.01000 -7.61000 -11.94000 -3.87000 16.35000 -13.31000 2.43000 8.72000 4.63000 0.00000 0.00000 0.00000 0.52000 1.33000 0.00000 -1.07000 0.00000 -2.60000 0.00000 2.38000 64.00000 HSE1_1SEM-14_5.PDB 4.30761 -10.90000 -3.97000 -8.37000 -11.75000 -4.71000 17.58000 -12.75000 2.18000 9.32000 5.11000 0.00000 0.00000 0.00000 0.17000 1.07000 0.00000 -0.64000 0.00000 -3.07000 0.00000 2.38000 64.00000 HSE1_1SEM-14_6.PDB 4.48761 -11.12000 -3.98000 -8.32000 -11.75000 -4.35000 17.31000 -12.87000 2.05000 9.30000 4.74000 0.00000 0.00000 0.00000 0.20000 1.19000 0.00000 -0.66000 0.00000 -2.78000 0.00000 2.38000 64.00000 HSE1_1SEM-14_7.PDB 3.90541 -9.92000 -2.40000 -5.93000 -9.43000 -3.67000 13.81000 -10.20000 0.49000 7.31000 3.76000 0.00000 0.00000 0.00000 0.16000 0.92000 0.00000 -0.98000 0.00000 -2.83000 0.00000 2.38000 64.00000 HSE1_1SEM-14_8.PDB 4.67398 -12.39000 -4.03000 -7.67000 -12.17000 -3.89000 16.35000 -13.69000 1.97000 8.78000 4.60000 0.00000 0.00000 0.00000 0.47000 1.45000 0.00000 -0.46000 0.00000 -2.66000 0.00000 2.38000 64.00000 HSE1_1SEM-14_9.PDB 4.66848 -10.69000 -3.96000 -7.35000 -11.47000 -4.00000 16.56000 -12.64000 1.77000 8.50000 5.06000 0.00000 0.00000 0.00000 0.33000 1.13000 0.00000 -0.90000 0.00000 -2.58000 0.00000 2.38000 64.00000 HSE1_1SEM-14_10.PDB 3.26589 -8.60000 -2.33000 -3.05000 -10.30000 -3.05000 13.29000 -12.23000 1.06000 6.81000 3.70000 0.00000 0.00000 0.00000 0.33000 1.29000 0.00000 -0.86000 0.00000 -1.96000 0.00000 2.38000 64.00000 HSE1_1SEM-14_11.PDB 3.10049 -10.63000 -2.48000 -5.92000 -10.80000 -3.37000 14.70000 -12.28000 0.82000 7.59000 4.08000 0.00000 0.00000 0.00000 0.19000 1.22000 0.00000 -0.65000 0.00000 -2.51000 0.00000 2.38000 64.00000 HSE1_1SEM-14_12.PDB 5.10944 -8.91000 -3.22000 -5.05000 -11.01000 -3.45000 15.17000 -12.15000 1.37000 6.72000 5.38000 0.00000 0.00000 0.00000 0.36000 1.20000 0.00000 -1.32000 0.00000 -1.71000 0.00000 2.38000 64.00000 HSE1_1SEM-14_13.PDB 4.88782 -10.93000 -3.06000 -7.05000 -10.66000 -4.72000 16.18000 -11.40000 0.50000 8.14000 4.60000 0.00000 0.00000 0.00000 0.45000 1.24000 0.00000 -1.01000 0.00000 -2.90000 0.00000 2.38000 64.00000 HSE1_1SEM-14_14.PDB 4.14301 -10.87000 -2.27000 -6.67000 -10.87000 -4.95000 16.13000 -11.66000 0.90000 8.14000 4.01000 0.00000 0.00000 0.00000 0.20000 1.45000 0.00000 -0.56000 0.00000 -3.26000 0.00000 2.38000 64.00000 HSE1_1SEM-14_15.PDB 4.21053 -10.45000 -2.31000 -5.83000 -10.59000 -3.24000 14.49000 -12.11000 0.93000 7.33000 3.85000 0.00000 0.00000 0.00000 0.17000 1.13000 0.00000 -0.77000 0.00000 -2.38000 0.00000 2.38000 64.00000 HSE1_1SEM-14_16.PDB 3.76896 -10.53000 -3.19000 -4.17000 -10.97000 -4.21000 13.85000 -12.50000 2.01000 7.00000 4.45000 0.00000 0.00000 0.00000 0.30000 1.42000 0.00000 -1.04000 0.00000 -2.06000 0.00000 2.38000 64.00000 HSE1_1SEM-14_17.PDB 4.29951 -9.77000 -4.14000 -6.67000 -10.46000 -3.00000 14.63000 -11.66000 2.04000 7.89000 5.46000 0.00000 0.00000 0.00000 0.20000 0.92000 0.00000 -2.09000 0.00000 -1.96000 0.00000 2.38000 64.00000 HSE1_1SEM-14_18.PDB 5.13362 -11.40000 -3.95000 -7.56000 -10.60000 -4.13000 15.31000 -11.50000 1.77000 8.37000 4.20000 0.00000 0.00000 0.00000 0.29000 1.29000 0.00000 -0.67000 0.00000 -2.94000 0.00000 2.38000 64.00000 HSE1_1SEM-14_19.PDB 5.17437 -11.08000 -4.01000 -7.97000 -11.64000 -4.23000 16.90000 -12.90000 1.67000 9.02000 5.10000 0.00000 0.00000 0.00000 0.50000 1.18000 0.00000 -0.72000 0.00000 -2.79000 0.00000 2.38000 64.00000 HSE1_1SEM-14_20.PDB 4.66433 -11.98000 -3.98000 -7.58000 -10.45000 -4.24000 15.55000 -11.34000 0.71000 8.17000 5.05000 0.00000 0.00000 0.00000 0.18000 1.26000 0.00000 -1.04000 0.00000 -3.03000 0.00000 2.38000 64.00000 HSE1_1SEM-14_21.PDB 5.32607 -9.60000 -2.22000 -5.20000 -10.21000 -3.53000 14.91000 -11.29000 0.66000 7.22000 3.48000 0.00000 0.00000 0.00000 0.17000 1.28000 0.00000 -0.96000 0.00000 -2.62000 0.00000 2.38000 64.00000 HSE1_1SEM-14_22.PDB 4.06539 -8.51000 -2.40000 -3.20000 -10.34000 -2.73000 12.63000 -12.49000 1.67000 6.56000 4.23000 0.00000 0.00000 0.00000 0.18000 1.26000 0.00000 -0.68000 0.00000 -1.95000 0.00000 2.38000 64.00000 HSE1_1SEM-14_23.PDB 4.83682 -11.45000 -3.97000 -7.56000 -11.46000 -4.23000 16.60000 -12.62000 1.69000 8.74000 4.51000 0.00000 0.00000 0.00000 0.33000 1.23000 0.00000 -0.77000 0.00000 -2.70000 0.00000 2.38000 64.00000 HSE1_1SEM-14_24.PDB 3.11254 -8.05000 -2.34000 -3.24000 -9.31000 -2.83000 12.41000 -11.01000 0.61000 6.29000 3.31000 0.00000 0.00000 0.00000 0.44000 1.29000 0.00000 -0.55000 0.00000 -1.84000 0.00000 2.38000 64.00000 HSE1_1SEM-14_25.PDB 4.34931 -7.63000 -2.38000 -2.82000 -9.73000 -2.68000 12.37000 -11.58000 1.43000 6.23000 3.96000 0.00000 0.00000 0.00000 0.37000 1.12000 0.00000 -1.06000 0.00000 -1.73000 0.00000 2.38000 64.00000 HSE1_1SEM-14_26.PDB 4.37663 -9.68000 -2.31000 -5.70000 -11.00000 -3.50000 15.08000 -12.49000 1.50000 7.71000 4.02000 0.00000 0.00000 0.00000 0.38000 1.32000 0.00000 -0.88000 0.00000 -2.48000 0.00000 2.38000 64.00000 HSE1_1SEM-14_27.PDB 4.18381 -10.88000 -3.86000 -7.43000 -11.36000 -4.21000 16.30000 -12.51000 1.87000 8.62000 5.15000 0.00000 0.00000 0.00000 0.19000 1.10000 0.00000 -0.84000 0.00000 -2.80000 0.00000 2.38000 64.00000 HSE1_1SEM-14_28.PDB 4.62053 -11.33000 -3.90000 -7.49000 -11.14000 -4.41000 16.38000 -12.13000 1.64000 8.55000 4.86000 0.00000 0.00000 0.00000 0.18000 1.19000 0.00000 -0.77000 0.00000 -3.11000 0.00000 2.38000 64.00000 HSE1_1SEM-14_29.PDB 4.46331 -9.09000 -2.57000 -5.70000 -10.37000 -2.34000 13.65000 -12.02000 1.12000 7.90000 4.48000 0.00000 0.00000 0.00000 0.41000 1.21000 0.00000 -1.83000 0.00000 -1.81000 0.00000 2.38000 64.00000 HSE1_1SEM-14_30.PDB 4.72233 -10.47000 -2.30000 -5.81000 -10.24000 -3.40000 14.06000 -11.74000 0.65000 7.45000 3.95000 0.00000 0.00000 0.00000 0.33000 1.09000 0.00000 -0.87000 0.00000 -2.56000 0.00000 2.38000 64.00000