Table 3. Structural effects of various monomeric RS1 mutations as inferred by in silico analysis.
RS1 | % OF HELIX DURING MDS | % OF STRAND DURING MDS | HYDROPHILIC AREA (Å) | HYDROPHOBIC AREA (Å) | NUMBER OF DISULFIDE BONDS |
---|---|---|---|---|---|
WT | 0.00 | 35.95 | 7163.845 | 707.130 | 2 (Cys63-Cys219, Cys 110-Cys142) |
W96R | 0.00 | 35.89 | 7594.86 | 517.153 | 2 (Cys63-Cys219, Cys 110-Cys142) |
E72K | 0.00 | 34.24 | 7599.401 | 479.494 | 2 (Cys63-Cys219, Cys 110-Cys142) |
D126H | 0.00 | 35.88 | 8392.535 | 600.462 | 2 (Cys63-Cys219, Cys 110-Cys142) |
I196dup | 0.00 | 36.68 | 7918.714 | 549.501 | 2 (Cys63-Cys220, Cys 110-Cys142) |
Q129_144dup | 0.00 | 30.61 | 8599.731 | 648.115 | 1 (Cys110-Cys158) |
I125R | 0.00 | 34.10 | 8134.669 | 548.585 | 2 (Cys63-Cys219, Cys 110-Cys142) |
R197H | 0.01 | 35.69 | 7640.360 | 471.839 | 2 (Cys63-Cys219, Cys 110-Cys142) |
MDS, molecular dynamic simulation.