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_1QKX-14_1.PDB 10.70518 -7.78000 -1.82000 -3.21000 -10.26000 -1.40000 9.46000 -14.18000 6.21000 6.04000 3.34000 0.00000 0.00000 0.00000 0.47000 1.93000 0.00000 -1.25000 0.00000 -1.19000 0.00000 2.38000 66.00000 SHO1_1QKX-14_2.PDB 10.47942 -8.37000 -1.82000 -3.30000 -9.91000 -1.32000 9.27000 -13.65000 5.59000 5.60000 3.33000 0.00000 0.00000 0.00000 0.19000 1.75000 0.00000 -1.27000 0.00000 -1.08000 0.00000 2.38000 66.00000 SHO1_1QKX-14_3.PDB 10.76949 -8.53000 -1.84000 -3.12000 -10.25000 -1.47000 9.73000 -14.01000 5.47000 5.92000 3.31000 0.00000 0.00000 0.00000 0.31000 1.82000 0.00000 -1.38000 0.00000 -1.21000 0.00000 2.38000 66.00000 SHO1_1QKX-14_4.PDB 9.66088 -4.91000 -0.53000 -2.03000 -10.93000 -1.89000 9.34000 -15.53000 9.28000 6.03000 2.59000 0.00000 0.00000 0.00000 0.46000 1.83000 0.00000 -0.32000 0.00000 -1.38000 0.00000 2.38000 66.00000 SHO1_1QKX-14_5.PDB 10.37237 -6.76000 -1.75000 -2.73000 -8.50000 -1.39000 8.51000 -11.68000 4.76000 4.85000 3.18000 0.00000 0.00000 0.00000 0.39000 1.62000 0.00000 -1.21000 0.00000 -1.20000 0.00000 2.38000 66.00000 SHO1_1QKX-14_6.PDB 11.57472 -7.44000 -1.27000 -2.78000 -10.16000 -1.25000 9.51000 -14.12000 4.85000 6.08000 3.36000 0.00000 0.00000 0.00000 0.72000 1.87000 0.00000 -1.21000 0.00000 -1.17000 0.00000 2.38000 66.00000 SHO1_1QKX-14_7.PDB 9.71504 -5.64000 -0.48000 -1.90000 -10.52000 -1.88000 9.28000 -14.82000 8.16000 5.48000 2.69000 0.00000 0.00000 0.00000 0.22000 1.69000 0.00000 -0.57000 0.00000 -1.30000 0.00000 2.38000 66.00000 SHO1_1QKX-14_8.PDB 9.43287 -4.53000 -1.12000 -1.72000 -9.01000 -1.46000 8.32000 -12.49000 6.72000 4.54000 2.90000 0.00000 0.00000 0.00000 0.21000 1.52000 0.00000 -0.33000 0.00000 -1.09000 0.00000 2.38000 66.00000 SHO1_1QKX-14_9.PDB 9.60252 -6.48000 -1.82000 -2.82000 -10.67000 -1.35000 9.90000 -14.72000 7.88000 5.94000 3.41000 0.00000 0.00000 0.00000 0.17000 1.94000 0.00000 -1.40000 0.00000 -1.01000 0.00000 2.38000 66.00000 SHO1_1QKX-14_10.PDB 10.25946 -6.02000 -1.12000 -2.07000 -10.75000 -1.72000 9.30000 -15.15000 8.04000 5.75000 3.00000 0.00000 0.00000 0.00000 0.63000 1.99000 0.00000 -0.69000 0.00000 -1.25000 0.00000 2.38000 66.00000 SHO1_1QKX-14_11.PDB 10.50102 -5.67000 -1.10000 -2.61000 -10.58000 -2.18000 10.33000 -14.40000 7.79000 6.48000 2.52000 0.00000 0.00000 0.00000 0.47000 1.79000 0.00000 -0.65000 0.00000 -1.74000 0.00000 2.38000 66.00000 SHO1_1QKX-14_12.PDB 10.10376 -5.21000 -1.12000 -1.71000 -9.30000 -1.58000 8.72000 -12.66000 6.46000 4.78000 2.48000 0.00000 0.00000 0.00000 0.19000 1.65000 0.00000 -0.25000 0.00000 -1.21000 0.00000 2.38000 66.00000 SHO1_1QKX-14_13.PDB 10.44947 -6.29000 -1.73000 -2.35000 -10.22000 -1.14000 8.84000 -14.24000 7.77000 5.80000 3.45000 0.00000 0.00000 0.00000 0.17000 1.91000 0.00000 -1.57000 0.00000 -1.07000 0.00000 2.38000 66.00000 SHO1_1QKX-14_14.PDB 11.69923 -4.94000 -1.10000 -1.84000 -9.28000 -1.37000 8.55000 -13.10000 6.68000 5.19000 2.75000 0.00000 0.00000 0.00000 0.50000 1.64000 0.00000 -0.52000 0.00000 -1.41000 0.00000 2.38000 66.00000 SHO1_1QKX-14_15.PDB 11.89041 -7.39000 -0.48000 -1.69000 -10.90000 -1.56000 9.67000 -14.71000 4.95000 5.96000 2.67000 0.00000 0.00000 0.00000 0.64000 1.79000 0.00000 -0.69000 0.00000 -1.25000 0.00000 2.38000 66.00000 SHO1_1QKX-14_16.PDB 10.16323 -5.95000 -0.51000 -1.74000 -9.30000 -1.80000 8.26000 -13.30000 6.34000 5.14000 2.34000 0.00000 0.00000 0.00000 0.55000 1.47000 0.00000 -0.57000 0.00000 -1.34000 0.00000 2.38000 66.00000 SHO1_1QKX-14_17.PDB 9.77706 -4.74000 -1.08000 -2.36000 -10.39000 -2.42000 10.35000 -14.11000 8.46000 6.25000 2.59000 0.00000 0.00000 0.00000 0.44000 1.90000 0.00000 -0.49000 0.00000 -1.98000 0.00000 2.38000 66.00000 SHO1_1QKX-14_18.PDB 11.65400 -7.10000 -0.49000 -2.00000 -10.59000 -1.84000 9.41000 -14.78000 5.52000 6.04000 2.60000 0.00000 0.00000 0.00000 0.92000 1.64000 0.00000 -0.53000 0.00000 -1.37000 0.00000 2.38000 66.00000 SHO1_1QKX-14_19.PDB 10.44968 -6.07000 -1.14000 -1.80000 -10.76000 -1.47000 9.23000 -14.78000 7.87000 5.44000 2.80000 0.00000 0.00000 0.00000 0.23000 1.98000 0.00000 -0.53000 0.00000 -1.16000 0.00000 2.38000 66.00000 SHO1_1QKX-14_20.PDB 10.03333 -5.86000 -1.10000 -2.06000 -9.40000 -1.81000 8.57000 -12.97000 6.78000 5.04000 2.39000 0.00000 0.00000 0.00000 0.44000 1.46000 0.00000 -0.41000 0.00000 -1.34000 0.00000 2.38000 66.00000 SHO1_1QKX-14_21.PDB 10.93928 -6.38000 -1.06000 -2.58000 -8.74000 -1.89000 8.42000 -12.18000 5.82000 4.74000 2.55000 0.00000 0.00000 0.00000 0.22000 1.65000 0.00000 -0.35000 0.00000 -1.33000 0.00000 2.38000 66.00000 SHO1_1QKX-14_22.PDB 11.59938 -7.66000 -1.90000 -3.30000 -9.99000 -1.18000 9.38000 -13.68000 5.51000 5.85000 3.46000 0.00000 0.00000 0.00000 0.54000 1.77000 0.00000 -1.15000 0.00000 -1.18000 0.00000 2.38000 66.00000 SHO1_1QKX-14_23.PDB 10.03104 -6.29000 -0.48000 -1.89000 -10.38000 -1.70000 9.11000 -14.65000 7.02000 5.64000 2.70000 0.00000 0.00000 0.00000 0.26000 1.67000 0.00000 -0.65000 0.00000 -1.26000 0.00000 2.38000 66.00000 SHO1_1QKX-14_24.PDB 11.02774 -6.57000 -1.82000 -3.10000 -8.62000 -1.41000 8.94000 -11.73000 4.57000 4.91000 3.34000 0.00000 0.00000 0.00000 0.47000 1.69000 0.00000 -0.95000 0.00000 -1.16000 0.00000 2.38000 66.00000 SHO1_1QKX-14_25.PDB 10.45440 -6.78000 -0.43000 -1.63000 -8.82000 -1.82000 8.48000 -12.18000 3.76000 4.76000 2.56000 0.00000 0.00000 0.00000 0.27000 1.67000 0.00000 -0.37000 0.00000 -1.35000 0.00000 2.38000 66.00000 SHO1_1QKX-14_26.PDB 10.35186 -5.50000 -0.48000 -1.99000 -10.44000 -1.64000 9.28000 -14.67000 6.81000 5.80000 3.17000 0.00000 0.00000 0.00000 0.39000 1.89000 0.00000 -0.45000 0.00000 -1.29000 0.00000 2.38000 66.00000 SHO1_1QKX-14_27.PDB 9.47580 -5.63000 -1.05000 -2.56000 -9.16000 -3.08000 9.88000 -12.05000 6.84000 5.04000 2.35000 0.00000 0.00000 0.00000 0.52000 1.67000 0.00000 -0.25000 0.00000 -2.11000 0.00000 2.38000 66.00000 SHO1_1QKX-14_28.PDB 11.25926 -5.35000 -0.50000 -1.53000 -10.95000 -1.60000 9.48000 -15.30000 7.72000 5.90000 2.67000 0.00000 0.00000 0.00000 0.53000 1.54000 0.00000 -0.43000 0.00000 -1.35000 0.00000 2.38000 66.00000 SHO1_1QKX-14_29.PDB 11.39017 -6.84000 -1.86000 -3.38000 -8.60000 -1.13000 8.73000 -11.89000 4.42000 5.04000 3.27000 0.00000 0.00000 0.00000 0.51000 1.53000 0.00000 -0.83000 0.00000 -1.11000 0.00000 2.38000 66.00000 SHO1_1QKX-14_30.PDB 10.26278 -5.74000 -1.08000 -2.18000 -10.14000 -2.34000 9.68000 -13.90000 7.72000 5.97000 2.52000 0.00000 0.00000 0.00000 0.41000 1.51000 0.00000 -0.46000 0.00000 -1.93000 0.00000 2.38000 66.00000