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 1SHD2_1.PDB 2.86365 -11.87000 -2.21000 -3.13000 -8.27000 -4.02000 11.77000 -10.09000 0.15000 5.27000 2.69000 0.00000 0.00000 0.00000 0.20000 0.80000 -0.26000 -1.31000 0.00000 -2.68000 0.00000 2.38000 105.00000 1SHD2_2.PDB 2.39444 -10.34000 -1.26000 -3.12000 -8.38000 -3.74000 10.87000 -10.54000 0.35000 5.76000 3.38000 0.00000 0.00000 0.00000 0.19000 0.81000 -0.23000 -1.11000 0.00000 -2.53000 0.00000 2.38000 105.00000 1SHD2_3.PDB 2.45249 -10.71000 -1.27000 -3.01000 -8.76000 -3.80000 11.24000 -10.92000 0.09000 5.89000 3.41000 0.00000 0.00000 0.00000 0.19000 0.82000 -0.23000 -0.99000 0.00000 -2.57000 0.00000 2.38000 105.00000 1SHD2_4.PDB 2.62277 -10.20000 -2.12000 -3.05000 -8.04000 -4.02000 12.14000 -9.40000 0.26000 4.63000 3.16000 0.00000 0.00000 0.00000 0.19000 0.82000 -0.27000 -0.93000 0.00000 -2.74000 0.00000 2.38000 105.00000 1SHD2_5.PDB 2.44750 -9.27000 -1.29000 -2.26000 -8.32000 -3.41000 10.39000 -10.74000 1.49000 4.83000 3.14000 0.00000 0.00000 0.00000 0.17000 0.81000 -0.23000 -0.82000 0.00000 -2.23000 0.00000 2.38000 105.00000 1SHD2_6.PDB 2.40420 -10.47000 -2.18000 -3.88000 -8.36000 -4.25000 11.99000 -10.15000 0.54000 6.80000 3.34000 0.00000 0.00000 0.00000 0.19000 0.82000 -0.26000 -1.24000 0.00000 -3.00000 0.00000 2.38000 105.00000 1SHD2_7.PDB 2.39733 -10.44000 -2.18000 -3.13000 -8.26000 -3.75000 11.86000 -10.11000 0.32000 5.49000 3.21000 0.00000 0.00000 0.00000 0.18000 0.82000 -0.26000 -1.32000 0.00000 -2.46000 0.00000 2.38000 105.00000 1SHD2_8.PDB 2.37789 -10.41000 -1.30000 -2.99000 -8.63000 -3.84000 10.90000 -10.79000 0.26000 6.09000 3.43000 0.00000 0.00000 0.00000 0.18000 0.82000 -0.23000 -0.81000 0.00000 -2.69000 0.00000 2.38000 105.00000 1SHD2_9.PDB 2.38044 -10.80000 -1.25000 -3.07000 -8.90000 -3.96000 11.37000 -11.18000 0.19000 6.27000 3.45000 0.00000 0.00000 0.00000 0.18000 0.82000 -0.23000 -0.91000 0.00000 -2.76000 0.00000 2.38000 105.00000 1SHD2_10.PDB 2.77537 -11.54000 -2.11000 -3.05000 -8.34000 -4.72000 12.60000 -9.54000 0.41000 4.68000 2.78000 0.00000 0.00000 0.00000 0.19000 0.78000 -0.27000 -1.05000 0.00000 -3.14000 0.00000 2.38000 105.00000 1SHD2_11.PDB 2.33436 -10.60000 -1.26000 -3.11000 -8.58000 -3.90000 10.96000 -10.95000 0.24000 6.17000 3.46000 0.00000 0.00000 0.00000 0.19000 0.82000 -0.23000 -0.84000 0.00000 -2.77000 0.00000 2.38000 105.00000 1SHD2_12.PDB 2.36598 -10.42000 -2.24000 -3.13000 -8.22000 -3.76000 11.87000 -10.03000 0.21000 5.55000 3.18000 0.00000 0.00000 0.00000 0.18000 0.82000 -0.26000 -1.33000 0.00000 -2.46000 0.00000 2.38000 105.00000 1SHD2_13.PDB 2.37739 -9.83000 -1.28000 -2.25000 -8.32000 -3.28000 10.55000 -10.63000 0.32000 4.71000 3.31000 0.00000 0.00000 0.00000 0.19000 0.82000 -0.23000 -0.82000 0.00000 -2.10000 0.00000 2.38000 105.00000 1SHD2_14.PDB 2.38916 -9.99000 -1.23000 -2.25000 -8.64000 -3.39000 11.11000 -10.86000 0.25000 4.79000 3.30000 0.00000 0.00000 0.00000 0.20000 0.82000 -0.23000 -0.96000 0.00000 -2.10000 0.00000 2.38000 105.00000 1SHD2_15.PDB 3.13467 -12.42000 -2.20000 -5.08000 -6.80000 -4.81000 12.69000 -7.38000 0.06000 4.74000 2.20000 0.00000 0.00000 0.00000 0.34000 0.32000 -0.26000 -2.50000 0.00000 -3.41000 0.00000 2.38000 105.00000 1SHD2_16.PDB 2.30156 -9.93000 -2.20000 -3.13000 -8.26000 -3.32000 11.71000 -10.17000 0.13000 5.23000 3.22000 0.00000 0.00000 0.00000 0.19000 0.82000 -0.26000 -1.16000 0.00000 -1.91000 0.00000 2.38000 105.00000 1SHD2_17.PDB 2.57213 -9.33000 -1.18000 -2.25000 -7.63000 -3.59000 10.09000 -9.17000 0.22000 4.45000 3.09000 0.00000 0.00000 0.00000 0.20000 0.82000 -0.23000 -0.94000 0.00000 -2.41000 0.00000 2.38000 105.00000 1SHD2_18.PDB 2.37152 -10.12000 -1.26000 -2.27000 -8.30000 -3.31000 10.59000 -10.67000 0.15000 4.72000 3.25000 0.00000 0.00000 0.00000 0.19000 0.82000 -0.23000 -0.87000 0.00000 -2.11000 0.00000 2.38000 105.00000 1SHD2_19.PDB 2.49225 -8.77000 -1.32000 -2.25000 -8.38000 -3.30000 10.40000 -10.75000 1.45000 4.84000 3.22000 0.00000 0.00000 0.00000 0.20000 0.81000 -0.23000 -0.54000 0.00000 -2.10000 0.00000 2.38000 105.00000 1SHD2_20.PDB 2.44864 -10.04000 -1.27000 -2.25000 -8.70000 -3.38000 11.07000 -10.98000 0.38000 4.92000 3.29000 0.00000 0.00000 0.00000 0.18000 0.82000 -0.23000 -0.98000 0.00000 -2.10000 0.00000 2.38000 105.00000 1SHD2_21.PDB 2.44782 -10.18000 -1.30000 -3.99000 -6.93000 -3.80000 11.17000 -7.99000 1.06000 3.59000 2.16000 0.00000 0.00000 0.00000 0.16000 0.31000 -0.23000 -1.55000 0.00000 -2.54000 0.00000 2.38000 105.00000 1SHD2_22.PDB 3.03131 -10.11000 -1.29000 -2.25000 -7.30000 -4.67000 12.36000 -8.18000 0.11000 3.63000 2.22000 0.00000 0.00000 0.00000 0.14000 0.43000 -0.23000 -1.59000 0.00000 -3.05000 0.00000 2.38000 105.00000 1SHD2_23.PDB 2.34313 -10.36000 -1.29000 -2.27000 -8.48000 -2.87000 10.23000 -11.06000 0.03000 4.44000 3.40000 0.00000 0.00000 0.00000 0.18000 0.83000 -0.23000 -0.78000 0.00000 -1.66000 0.00000 2.38000 105.00000 1SHD2_24.PDB 2.45113 -10.17000 -2.16000 -3.06000 -8.06000 -3.91000 12.21000 -9.43000 0.17000 4.60000 3.12000 0.00000 0.00000 0.00000 0.18000 0.82000 -0.27000 -0.97000 0.00000 -2.58000 0.00000 2.38000 105.00000 1SHD2_25.PDB 2.55577 -9.95000 -1.26000 -2.25000 -8.30000 -3.28000 10.58000 -10.68000 0.19000 4.75000 3.23000 0.00000 0.00000 0.00000 0.21000 0.82000 -0.23000 -0.84000 0.00000 -2.07000 0.00000 2.38000 105.00000 1SHD2_26.PDB 2.49086 -9.53000 -1.30000 -2.25000 -8.80000 -2.94000 11.11000 -11.10000 0.39000 4.69000 3.36000 0.00000 0.00000 0.00000 0.18000 0.82000 -0.23000 -0.98000 0.00000 -1.66000 0.00000 2.38000 105.00000 1SHD2_27.PDB 3.36452 -11.86000 -2.09000 -5.36000 -6.69000 -5.09000 13.38000 -6.72000 0.45000 3.78000 2.21000 0.00000 0.00000 0.00000 0.42000 0.32000 -0.27000 -2.28000 0.00000 -3.61000 0.00000 2.38000 105.00000 1SHD2_28.PDB 3.16444 -11.42000 -1.26000 -3.89000 -6.82000 -4.21000 11.33000 -7.96000 0.09000 3.74000 2.20000 0.00000 0.00000 0.00000 0.36000 0.33000 -0.23000 -1.82000 0.00000 -2.94000 0.00000 2.38000 105.00000 1SHD2_29.PDB 2.62622 -9.50000 -2.12000 -3.05000 -8.10000 -3.47000 12.10000 -9.54000 0.24000 4.29000 3.14000 0.00000 0.00000 0.00000 0.24000 0.82000 -0.27000 -0.93000 0.00000 -2.04000 0.00000 2.38000 105.00000 1SHD2_30.PDB 4.86638 -10.22000 -2.24000 -3.16000 -7.35000 -3.92000 11.10000 -9.04000 0.15000 4.93000 2.89000 0.00000 0.00000 0.00000 0.36000 0.62000 -0.26000 -1.10000 0.00000 -2.60000 0.00000 2.38000 105.00000