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 1SHD2_1.PDB -0.43000 -72.63000 -32.99000 -123.01000 -7.33000 163.15000 -151.10000 4.83000 68.39000 154.79000 0.00000 0.00000 0.00000 5.08000 55.94000 -0.26000 -6.70000 0.00000 -2.68000 0.00000 0.00000 105.00000 1SHD2_2.PDB 0.71000 -69.83000 -31.18000 -122.17000 -7.16000 159.80000 -150.98000 4.91000 67.31000 154.54000 0.00000 0.00000 0.00000 4.72000 55.81000 -0.24000 -6.50000 0.00000 -2.53000 0.00000 0.00000 105.00000 1SHD2_3.PDB 0.55000 -69.82000 -31.04000 -122.45000 -7.21000 160.06000 -151.33000 4.72000 67.40000 154.56000 0.00000 0.00000 0.00000 4.68000 55.83000 -0.24000 -6.22000 0.00000 -2.57000 0.00000 0.00000 105.00000 1SHD2_4.PDB 1.29000 -70.59000 -31.04000 -122.00000 -7.59000 161.38000 -150.00000 5.00000 66.39000 154.22000 0.00000 0.00000 0.00000 4.82000 55.81000 -0.28000 -6.28000 0.00000 -2.74000 0.00000 0.00000 105.00000 1SHD2_5.PDB 1.83000 -69.88000 -30.32000 -122.04000 -6.88000 159.19000 -151.09000 6.16000 66.33000 154.28000 0.00000 0.00000 0.00000 4.64000 55.82000 -0.24000 -6.09000 0.00000 -2.23000 0.00000 0.00000 105.00000 1SHD2_6.PDB -0.04000 -70.75000 -31.92000 -122.01000 -7.88000 160.59000 -150.64000 5.23000 68.45000 154.20000 0.00000 0.00000 0.00000 4.59000 55.81000 -0.27000 -6.63000 0.00000 -3.00000 0.00000 0.00000 105.00000 1SHD2_7.PDB 0.28000 -70.75000 -31.19000 -121.91000 -7.30000 160.53000 -150.53000 4.97000 67.10000 154.13000 0.00000 0.00000 0.00000 4.62000 55.81000 -0.27000 -6.67000 0.00000 -2.46000 0.00000 0.00000 105.00000 1SHD2_8.PDB 0.05000 -69.86000 -31.07000 -122.34000 -7.44000 159.53000 -151.33000 4.95000 67.60000 154.45000 0.00000 0.00000 0.00000 4.63000 55.81000 -0.24000 -6.16000 0.00000 -2.69000 0.00000 0.00000 105.00000 1SHD2_9.PDB -0.35000 -69.81000 -31.13000 -122.53000 -7.52000 159.95000 -151.63000 4.83000 67.74000 154.41000 0.00000 0.00000 0.00000 4.60000 55.81000 -0.25000 -6.25000 0.00000 -2.76000 0.00000 0.00000 105.00000 1SHD2_10.PDB -1.49000 -73.09000 -33.48000 -123.07000 -8.24000 164.17000 -150.66000 5.06000 67.92000 154.73000 0.00000 0.00000 0.00000 5.11000 55.92000 -0.29000 -6.52000 0.00000 -3.14000 0.00000 0.00000 105.00000 1SHD2_11.PDB 0.09000 -69.82000 -31.03000 -122.37000 -7.47000 159.81000 -151.49000 4.72000 67.72000 154.39000 0.00000 0.00000 0.00000 4.70000 55.82000 -0.24000 -6.07000 0.00000 -2.77000 0.00000 0.00000 105.00000 1SHD2_12.PDB 0.04000 -70.80000 -31.19000 -121.99000 -7.31000 160.64000 -150.63000 4.76000 67.16000 154.12000 0.00000 0.00000 0.00000 4.69000 55.83000 -0.27000 -6.67000 0.00000 -2.46000 0.00000 0.00000 105.00000 1SHD2_13.PDB 1.17000 -69.84000 -30.33000 -121.95000 -6.80000 159.37000 -150.97000 4.98000 66.21000 154.34000 0.00000 0.00000 0.00000 4.66000 55.83000 -0.24000 -6.16000 0.00000 -2.10000 0.00000 0.00000 105.00000 1SHD2_14.PDB 0.83000 -69.78000 -30.31000 -122.15000 -6.90000 159.68000 -151.11000 4.76000 66.26000 154.30000 0.00000 0.00000 0.00000 4.71000 55.82000 -0.24000 -6.29000 0.00000 -2.10000 0.00000 0.00000 105.00000 1SHD2_15.PDB 0.63000 -72.32000 -34.63000 -120.89000 -8.05000 163.24000 -147.96000 4.49000 67.81000 154.62000 0.00000 0.00000 0.00000 5.73000 55.41000 -0.27000 -7.72000 0.00000 -3.41000 0.00000 0.00000 105.00000 1SHD2_16.PDB 0.65000 -70.77000 -31.13000 -122.02000 -7.07000 160.54000 -150.68000 4.66000 66.88000 154.09000 0.00000 0.00000 0.00000 4.69000 55.81000 -0.27000 -6.37000 0.00000 -1.91000 0.00000 0.00000 105.00000 1SHD2_17.PDB 1.84000 -69.74000 -30.33000 -121.38000 -7.02000 159.01000 -149.60000 4.89000 66.06000 154.05000 0.00000 0.00000 0.00000 4.87000 55.81000 -0.24000 -6.32000 0.00000 -2.41000 0.00000 0.00000 105.00000 1SHD2_18.PDB 0.75000 -69.81000 -30.31000 -121.95000 -6.81000 159.34000 -151.04000 4.74000 66.21000 154.20000 0.00000 0.00000 0.00000 4.67000 55.82000 -0.24000 -6.14000 0.00000 -2.11000 0.00000 0.00000 105.00000 1SHD2_19.PDB 1.93000 -69.94000 -30.30000 -122.05000 -6.77000 159.05000 -151.22000 6.02000 66.29000 154.28000 0.00000 0.00000 0.00000 4.84000 55.81000 -0.24000 -5.94000 0.00000 -2.10000 0.00000 0.00000 105.00000 1SHD2_20.PDB 0.58000 -69.83000 -30.30000 -122.22000 -6.86000 159.59000 -151.27000 5.01000 66.37000 154.24000 0.00000 0.00000 0.00000 4.62000 55.84000 -0.24000 -6.42000 0.00000 -2.10000 0.00000 0.00000 105.00000 1SHD2_21.PDB 2.11000 -71.06000 -33.24000 -121.00000 -7.21000 161.49000 -148.62000 5.61000 66.43000 154.51000 0.00000 0.00000 0.00000 4.80000 55.35000 -0.24000 -6.82000 0.00000 -2.54000 0.00000 0.00000 105.00000 1SHD2_22.PDB 3.22000 -72.52000 -32.84000 -121.90000 -7.26000 164.41000 -149.05000 5.00000 67.16000 155.23000 0.00000 0.00000 0.00000 4.98000 55.60000 -0.22000 -6.72000 0.00000 -3.05000 0.00000 0.00000 105.00000 1SHD2_23.PDB 0.71000 -69.85000 -30.34000 -122.47000 -6.47000 159.83000 -151.66000 4.57000 66.03000 154.56000 0.00000 0.00000 0.00000 4.72000 55.81000 -0.24000 -6.32000 0.00000 -1.66000 0.00000 0.00000 105.00000 1SHD2_24.PDB 0.76000 -70.67000 -31.01000 -121.94000 -7.51000 161.29000 -150.01000 4.81000 66.30000 154.05000 0.00000 0.00000 0.00000 4.68000 55.82000 -0.28000 -6.37000 0.00000 -2.58000 0.00000 0.00000 105.00000 1SHD2_25.PDB 1.05000 -69.82000 -30.26000 -121.73000 -6.76000 159.10000 -150.79000 4.78000 66.17000 154.09000 0.00000 0.00000 0.00000 4.81000 55.82000 -0.24000 -6.22000 0.00000 -2.07000 0.00000 0.00000 105.00000 1SHD2_26.PDB 1.18000 -69.89000 -30.33000 -122.65000 -6.52000 160.08000 -151.71000 5.09000 66.20000 154.49000 0.00000 0.00000 0.00000 4.67000 55.83000 -0.24000 -6.35000 0.00000 -1.66000 0.00000 0.00000 105.00000 1SHD2_27.PDB 2.14000 -72.29000 -35.03000 -121.08000 -8.30000 164.45000 -147.48000 5.03000 67.07000 154.67000 0.00000 0.00000 0.00000 5.94000 55.41000 -0.28000 -6.97000 0.00000 -3.61000 0.00000 0.00000 105.00000 1SHD2_28.PDB 1.32000 -71.40000 -33.43000 -121.10000 -7.41000 161.98000 -148.68000 4.57000 66.78000 154.69000 0.00000 0.00000 0.00000 5.80000 55.39000 -0.24000 -7.29000 0.00000 -2.94000 0.00000 0.00000 105.00000 1SHD2_29.PDB 1.35000 -70.69000 -31.06000 -121.95000 -7.28000 161.17000 -150.07000 4.82000 66.04000 154.04000 0.00000 0.00000 0.00000 4.96000 55.84000 -0.28000 -6.32000 0.00000 -2.04000 0.00000 0.00000 105.00000 1SHD2_30.PDB 2.65000 -71.37000 -31.73000 -121.66000 -7.46000 161.06000 -150.27000 5.20000 66.82000 154.57000 0.00000 0.00000 0.00000 6.92000 55.72000 -0.27000 -6.56000 0.00000 -2.60000 0.00000 0.00000 105.00000