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 SHO1_2VKN-23_1.PDB 4.04360 -7.88000 -1.21000 -1.91000 -7.10000 -2.65000 7.11000 -8.82000 2.62000 5.14000 2.30000 0.00000 0.00000 0.00000 0.06000 0.47000 0.00000 -1.05000 0.00000 -2.37000 0.00000 2.38000 73.00000 SHO1_2VKN-23_2.PDB 4.32349 -7.68000 -1.14000 -2.58000 -6.88000 -2.49000 7.06000 -8.62000 1.88000 5.13000 2.26000 0.00000 0.00000 0.00000 0.13000 0.38000 0.00000 -0.10000 0.00000 -2.32000 0.00000 2.38000 73.00000 SHO1_2VKN-23_3.PDB 4.51398 -9.65000 -1.16000 -2.76000 -7.06000 -2.70000 7.13000 -8.85000 1.07000 5.21000 2.36000 0.00000 0.00000 0.00000 0.06000 0.33000 0.00000 -0.39000 0.00000 -2.56000 0.00000 2.38000 73.00000 SHO1_2VKN-23_4.PDB 4.82006 -8.61000 -1.24000 -2.70000 -7.48000 -2.35000 7.15000 -9.41000 2.49000 5.29000 2.63000 0.00000 0.00000 0.00000 0.06000 0.61000 0.00000 -0.87000 0.00000 -2.19000 0.00000 2.38000 73.00000 SHO1_2VKN-23_5.PDB 3.84040 -6.84000 -1.14000 -2.40000 -5.70000 -2.29000 5.73000 -7.22000 3.09000 4.50000 1.86000 0.00000 0.00000 0.00000 0.05000 0.29000 0.00000 -0.84000 0.00000 -2.48000 0.00000 2.38000 73.00000 SHO1_2VKN-23_6.PDB 5.18946 -9.48000 -1.11000 -2.69000 -7.13000 -2.61000 7.45000 -8.82000 0.93000 4.91000 2.06000 0.00000 0.00000 0.00000 0.11000 0.51000 0.00000 -0.29000 0.00000 -2.30000 0.00000 2.38000 73.00000 SHO1_2VKN-23_7.PDB 3.04125 -5.94000 -0.81000 -2.32000 -6.99000 -2.19000 6.63000 -8.78000 3.94000 5.17000 2.01000 0.00000 0.00000 0.00000 0.16000 0.47000 0.00000 -0.79000 0.00000 -1.96000 0.00000 2.38000 73.00000 SHO1_2VKN-23_8.PDB 3.10727 -5.93000 -0.74000 -1.50000 -7.16000 -2.53000 6.60000 -9.25000 3.76000 5.33000 2.61000 0.00000 0.00000 0.00000 0.14000 0.45000 0.00000 -0.97000 0.00000 -2.21000 0.00000 2.38000 73.00000 SHO1_2VKN-23_9.PDB 4.65721 -9.74000 -1.18000 -2.68000 -6.41000 -2.91000 7.17000 -7.83000 0.90000 4.39000 1.99000 0.00000 0.00000 0.00000 0.06000 0.46000 0.00000 -0.70000 0.00000 -2.54000 0.00000 2.38000 73.00000 SHO1_2VKN-23_10.PDB 4.22287 -7.18000 -0.97000 -1.78000 -7.85000 -2.57000 8.14000 -9.52000 3.10000 4.92000 2.77000 0.00000 0.00000 0.00000 0.09000 0.40000 0.00000 -1.39000 0.00000 -2.12000 0.00000 2.38000 73.00000 SHO1_2VKN-23_11.PDB 4.23379 -6.78000 -1.08000 -2.67000 -6.64000 -2.02000 6.08000 -8.39000 2.99000 5.22000 2.37000 0.00000 0.00000 0.00000 0.10000 0.31000 0.00000 -0.96000 0.00000 -1.77000 0.00000 2.38000 73.00000 SHO1_2VKN-23_12.PDB 3.37280 -8.25000 -1.13000 -2.47000 -6.28000 -2.57000 6.36000 -7.76000 1.96000 4.87000 1.96000 0.00000 0.00000 0.00000 0.08000 0.32000 0.00000 -0.86000 0.00000 -2.42000 0.00000 2.38000 73.00000 SHO1_2VKN-23_13.PDB 3.91058 -8.63000 -1.22000 -1.65000 -5.83000 -2.32000 6.14000 -7.38000 0.55000 4.52000 1.64000 0.00000 0.00000 0.00000 0.04000 0.43000 0.00000 -0.75000 0.00000 -2.38000 0.00000 2.38000 73.00000 SHO1_2VKN-23_14.PDB 2.39432 -6.06000 -0.91000 -1.89000 -6.66000 -2.12000 6.22000 -8.69000 3.74000 4.80000 2.54000 0.00000 0.00000 0.00000 0.12000 0.48000 0.00000 -0.89000 0.00000 -2.33000 0.00000 2.38000 73.00000 SHO1_2VKN-23_15.PDB 3.18304 -6.29000 -0.92000 -1.69000 -7.46000 -2.54000 6.84000 -9.51000 3.86000 5.42000 2.57000 0.00000 0.00000 0.00000 0.12000 0.54000 0.00000 -0.66000 0.00000 -2.32000 0.00000 2.38000 73.00000 SHO1_2VKN-23_16.PDB 3.70932 -7.36000 -1.12000 -1.89000 -7.05000 -2.39000 7.07000 -8.74000 2.51000 5.22000 2.14000 0.00000 0.00000 0.00000 0.10000 0.52000 0.00000 -1.09000 0.00000 -2.12000 0.00000 2.38000 73.00000 SHO1_2VKN-23_17.PDB 4.23553 -8.28000 -0.77000 -2.10000 -7.35000 -3.02000 7.60000 -9.28000 1.90000 5.14000 2.46000 0.00000 0.00000 0.00000 0.12000 0.57000 0.00000 -0.35000 0.00000 -2.64000 0.00000 2.38000 73.00000 SHO1_2VKN-23_18.PDB 3.78809 -6.64000 -1.92000 -2.67000 -6.69000 -1.90000 6.93000 -8.29000 3.04000 5.66000 1.97000 0.00000 0.00000 0.00000 0.13000 0.43000 0.00000 -0.91000 0.00000 -1.99000 0.00000 2.38000 73.00000 SHO1_2VKN-23_19.PDB 3.95953 -7.41000 -1.22000 -1.96000 -6.62000 -2.52000 6.70000 -8.17000 2.66000 4.98000 1.80000 0.00000 0.00000 0.00000 0.09000 0.36000 0.00000 -0.93000 0.00000 -2.24000 0.00000 2.38000 73.00000 SHO1_2VKN-23_20.PDB 3.13388 -7.13000 -1.11000 -3.56000 -6.98000 -2.87000 8.40000 -7.83000 2.70000 5.00000 3.29000 0.00000 0.00000 0.00000 0.05000 0.41000 0.00000 -1.76000 0.00000 -2.46000 0.00000 2.38000 73.00000 SHO1_2VKN-23_21.PDB 3.79561 -7.12000 -1.13000 -1.94000 -7.09000 -2.58000 6.70000 -8.84000 3.02000 5.47000 2.25000 0.00000 0.00000 0.00000 0.06000 0.41000 0.00000 -0.76000 0.00000 -2.29000 0.00000 2.38000 73.00000 SHO1_2VKN-23_22.PDB 4.24595 -6.98000 -1.18000 -1.96000 -6.35000 -2.43000 6.37000 -7.87000 2.97000 4.96000 1.76000 0.00000 0.00000 0.00000 0.07000 0.36000 0.00000 -1.20000 0.00000 -2.12000 0.00000 2.38000 73.00000 SHO1_2VKN-23_23.PDB 4.61889 -8.27000 -1.18000 -2.68000 -6.50000 -2.19000 6.22000 -8.17000 2.05000 4.95000 1.99000 0.00000 0.00000 0.00000 0.05000 0.33000 0.00000 -0.82000 0.00000 -2.00000 0.00000 2.38000 73.00000 SHO1_2VKN-23_24.PDB 3.84229 -7.53000 -1.28000 -2.03000 -6.88000 -2.49000 6.73000 -8.74000 2.89000 5.05000 2.11000 0.00000 0.00000 0.00000 0.05000 0.52000 0.00000 -0.69000 0.00000 -2.23000 0.00000 2.38000 73.00000 SHO1_2VKN-23_25.PDB 3.24342 -7.57000 -0.82000 -1.26000 -6.24000 -2.54000 6.50000 -7.71000 1.30000 4.77000 1.48000 0.00000 0.00000 0.00000 0.10000 0.45000 0.00000 -0.90000 0.00000 -2.24000 0.00000 2.38000 73.00000 SHO1_2VKN-23_26.PDB 2.50557 -6.65000 -0.74000 -1.33000 -7.17000 -1.90000 6.12000 -9.41000 2.51000 5.01000 2.70000 0.00000 0.00000 0.00000 0.11000 0.41000 0.00000 -0.50000 0.00000 -2.06000 0.00000 2.38000 73.00000 SHO1_2VKN-23_27.PDB 5.03875 -8.65000 -1.14000 -2.58000 -6.10000 -2.66000 6.84000 -7.55000 0.54000 4.65000 1.81000 0.00000 0.00000 0.00000 0.08000 0.39000 0.00000 -0.25000 0.00000 -2.30000 0.00000 2.38000 73.00000 SHO1_2VKN-23_28.PDB 3.23631 -8.91000 -0.81000 -2.33000 -7.46000 -2.69000 6.98000 -9.57000 1.89000 5.49000 2.22000 0.00000 0.00000 0.00000 0.09000 0.49000 0.00000 -0.32000 0.00000 -2.39000 0.00000 2.38000 73.00000 SHO1_2VKN-23_29.PDB 1.53015 -5.41000 -0.71000 -1.46000 -7.60000 -2.56000 6.96000 -9.62000 4.73000 5.55000 2.80000 0.00000 0.00000 0.00000 0.04000 0.43000 0.00000 -1.32000 0.00000 -2.23000 0.00000 2.38000 73.00000 SHO1_2VKN-23_30.PDB 2.94052 -5.04000 -1.51000 -2.34000 -7.35000 -2.24000 7.65000 -9.15000 4.14000 6.30000 1.94000 0.00000 0.00000 0.00000 0.14000 0.50000 0.00000 -0.70000 0.00000 -1.91000 0.00000 2.38000 73.00000