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. 2018 May 31;13(5):e0198086. doi: 10.1371/journal.pone.0198086

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.