name total energy Backbone Hbon 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 0.70000 -41.31000 -13.40000 -66.87000 -4.30000 83.49000 -86.61000 8.30000 35.73000 86.96000 0.00000 0.00000 0.00000 3.47000 16.15000 0.00000 -2.97000 0.00000 -1.78000 0.00000 0.00000 64.00000 HSE1_1SEM-26_2.PDB -0.05000 -41.00000 -13.23000 -66.69000 -4.32000 82.69000 -86.42000 8.16000 35.63000 86.69000 0.00000 0.00000 0.00000 3.48000 16.24000 0.00000 -3.26000 0.00000 -1.78000 0.00000 0.00000 64.00000 HSE1_1SEM-26_3.PDB -0.31000 -42.24000 -15.82000 -67.19000 -3.58000 83.88000 -86.66000 8.41000 37.39000 86.74000 0.00000 0.00000 0.00000 3.96000 16.19000 0.00000 -2.95000 0.00000 -2.26000 0.00000 0.00000 64.00000 HSE1_1SEM-26_4.PDB 0.13000 -43.74000 -15.45000 -68.07000 -4.19000 86.16000 -87.15000 10.42000 36.55000 88.09000 0.00000 0.00000 0.00000 4.02000 16.23000 0.00000 -4.09000 0.00000 -2.43000 0.00000 0.00000 64.00000 HSE1_1SEM-26_5.PDB -0.10000 -42.42000 -14.65000 -67.71000 -3.54000 83.95000 -87.23000 8.92000 37.28000 87.25000 0.00000 0.00000 0.00000 3.67000 16.33000 0.00000 -3.68000 0.00000 -1.94000 0.00000 0.00000 64.00000 HSE1_1SEM-26_6.PDB 2.44000 -40.59000 -11.88000 -66.27000 -3.97000 81.29000 -86.14000 8.90000 35.18000 87.28000 0.00000 0.00000 0.00000 3.26000 16.05000 0.00000 -2.67000 0.00000 -1.95000 0.00000 0.00000 64.00000 HSE1_1SEM-26_7.PDB 2.03000 -41.33000 -13.02000 -67.17000 -3.72000 83.76000 -87.07000 8.96000 35.59000 87.34000 0.00000 0.00000 0.00000 3.76000 16.17000 0.00000 -3.07000 0.00000 -1.99000 0.00000 0.00000 64.00000 HSE1_1SEM-26_8.PDB 1.94000 -41.68000 -13.68000 -66.76000 -3.88000 83.76000 -86.39000 9.43000 35.33000 86.74000 0.00000 0.00000 0.00000 3.97000 16.24000 0.00000 -3.22000 0.00000 -1.67000 0.00000 0.00000 64.00000 HSE1_1SEM-26_9.PDB 0.22000 -43.38000 -15.22000 -67.60000 -3.78000 85.12000 -87.10000 9.48000 37.16000 86.39000 0.00000 0.00000 0.00000 4.40000 16.18000 0.00000 -3.39000 0.00000 -1.84000 0.00000 0.00000 64.00000 HSE1_1SEM-26_10.PDB 0.78000 -41.93000 -13.90000 -66.73000 -3.99000 83.11000 -86.49000 9.10000 35.48000 87.14000 0.00000 0.00000 0.00000 3.77000 16.27000 0.00000 -3.01000 0.00000 -1.77000 0.00000 0.00000 64.00000 HSE1_1SEM-26_11.PDB 3.98000 -41.55000 -13.85000 -67.86000 -3.67000 84.49000 -87.31000 9.46000 35.63000 88.19000 0.00000 0.00000 0.00000 4.42000 16.43000 0.00000 -2.25000 0.00000 -1.72000 0.00000 0.00000 64.00000 HSE1_1SEM-26_12.PDB 1.01000 -41.04000 -13.24000 -66.76000 -3.42000 82.50000 -86.62000 8.87000 35.57000 86.39000 0.00000 0.00000 0.00000 3.50000 16.20000 0.00000 -2.94000 0.00000 -1.79000 0.00000 0.00000 64.00000 HSE1_1SEM-26_13.PDB 1.30000 -43.03000 -15.87000 -67.54000 -4.49000 85.91000 -86.64000 9.33000 37.44000 88.17000 0.00000 0.00000 0.00000 3.55000 16.21000 0.00000 -3.35000 0.00000 -2.18000 0.00000 0.00000 64.00000 HSE1_1SEM-26_14.PDB 0.98000 -41.16000 -13.44000 -66.89000 -4.01000 83.12000 -86.65000 8.64000 35.65000 86.73000 0.00000 0.00000 0.00000 3.72000 16.30000 0.00000 -2.90000 0.00000 -1.84000 0.00000 0.00000 64.00000 HSE1_1SEM-26_15.PDB 1.48000 -40.45000 -12.71000 -67.02000 -3.42000 82.83000 -86.90000 8.95000 34.98000 86.73000 0.00000 0.00000 0.00000 3.44000 16.24000 0.00000 -3.21000 0.00000 -1.73000 0.00000 0.00000 64.00000 HSE1_1SEM-26_16.PDB -0.03000 -41.34000 -13.51000 -66.70000 -4.36000 82.56000 -86.55000 9.15000 35.76000 86.61000 0.00000 0.00000 0.00000 3.27000 16.21000 0.00000 -3.15000 0.00000 -1.76000 0.00000 0.00000 64.00000 HSE1_1SEM-26_17.PDB 0.79000 -40.37000 -13.07000 -66.90000 -3.92000 82.61000 -86.63000 8.44000 35.59000 86.66000 0.00000 0.00000 0.00000 3.83000 16.23000 0.00000 -3.02000 0.00000 -2.43000 0.00000 0.00000 64.00000 HSE1_1SEM-26_18.PDB 0.52000 -42.08000 -14.30000 -67.09000 -4.10000 83.86000 -86.69000 9.12000 36.49000 87.42000 0.00000 0.00000 0.00000 3.37000 16.07000 0.00000 -3.43000 0.00000 -2.05000 0.00000 0.00000 64.00000 HSE1_1SEM-26_19.PDB -0.73000 -42.84000 -13.40000 -67.39000 -3.54000 83.79000 -87.46000 8.43000 35.42000 85.83000 0.00000 0.00000 0.00000 4.44000 16.15000 0.00000 -2.64000 0.00000 -1.38000 0.00000 0.00000 64.00000 HSE1_1SEM-26_20.PDB 2.75000 -42.32000 -13.23000 -66.86000 -3.92000 83.49000 -86.52000 9.45000 35.96000 87.98000 0.00000 0.00000 0.00000 3.37000 16.09000 0.00000 -2.71000 0.00000 -1.93000 0.00000 0.00000 64.00000 HSE1_1SEM-26_21.PDB 2.75000 -40.53000 -12.83000 -67.07000 -3.78000 82.92000 -86.92000 9.76000 35.11000 87.07000 0.00000 0.00000 0.00000 4.24000 16.15000 0.00000 -3.16000 0.00000 -2.05000 0.00000 0.00000 64.00000 HSE1_1SEM-26_22.PDB 0.24000 -42.18000 -14.11000 -67.75000 -3.44000 84.08000 -87.38000 8.56000 36.74000 87.37000 0.00000 0.00000 0.00000 3.71000 16.28000 0.00000 -3.49000 0.00000 -1.88000 0.00000 0.00000 64.00000 HSE1_1SEM-26_23.PDB 0.86000 -41.98000 -14.25000 -67.28000 -2.87000 83.24000 -87.07000 8.05000 35.52000 86.95000 0.00000 0.00000 0.00000 4.61000 16.36000 0.00000 -2.72000 0.00000 -1.34000 0.00000 0.00000 64.00000 HSE1_1SEM-26_24.PDB 1.82000 -40.55000 -13.02000 -67.10000 -3.99000 83.21000 -86.87000 8.49000 35.39000 87.69000 0.00000 0.00000 0.00000 3.95000 16.30000 0.00000 -3.17000 0.00000 -2.20000 0.00000 0.00000 64.00000 HSE1_1SEM-26_25.PDB 2.85000 -41.93000 -13.25000 -67.48000 -4.37000 83.88000 -87.08000 10.34000 36.21000 88.13000 0.00000 0.00000 0.00000 3.35000 16.13000 0.00000 -2.77000 0.00000 -2.18000 0.00000 0.00000 64.00000 HSE1_1SEM-26_26.PDB 2.73000 -40.83000 -12.67000 -67.10000 -3.50000 83.12000 -86.88000 9.75000 35.10000 87.71000 0.00000 0.00000 0.00000 3.61000 16.12000 0.00000 -3.59000 0.00000 -1.98000 0.00000 0.00000 64.00000 HSE1_1SEM-26_27.PDB 0.01000 -41.71000 -12.30000 -66.91000 -2.87000 82.46000 -87.14000 8.15000 34.27000 85.71000 0.00000 0.00000 0.00000 3.95000 16.18000 0.00000 -2.30000 0.00000 -1.31000 0.00000 0.00000 64.00000 HSE1_1SEM-26_28.PDB -0.01000 -42.03000 -13.95000 -67.15000 -4.01000 83.76000 -86.97000 8.29000 36.29000 87.32000 0.00000 0.00000 0.00000 3.96000 16.15000 0.00000 -3.43000 0.00000 -2.09000 0.00000 0.00000 64.00000 HSE1_1SEM-26_29.PDB -0.32000 -42.15000 -12.64000 -66.84000 -3.61000 82.49000 -86.98000 8.45000 34.31000 86.22000 0.00000 0.00000 0.00000 4.38000 16.19000 0.00000 -2.71000 0.00000 -1.22000 0.00000 0.00000 64.00000 HSE1_1SEM-26_30.PDB 1.20000 -41.17000 -13.36000 -66.98000 -3.75000 82.23000 -87.38000 10.12000 35.29000 86.64000 0.00000 0.00000 0.00000 3.25000 16.12000 0.00000 -2.33000 0.00000 -1.37000 0.00000 0.00000 64.00000