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. 2014 May 9;20(5):2245. doi: 10.1007/s00894-014-2245-1

Table 2.

Overlap values for the displacement of the most labile domain of the three AARSs computed between all-atom (EDA) and a coarse-grained (NMA or CEDA) simulation method

Domain EDA and NMA EDA and CEDA
Mode 1 Mode 2 Mode 3 Mode 1 Mode 2 Mode 3
Tt LeuRS
 ED (224–417) 0.86 0.84 0.94 0.90 0.91 0.92
 ZBD (154–189) 0.92 0.96 0.97 0.96 0.94 0.84
 LSD (577–634) 0.84 0.98 0.93 0.92 0.93 0.85
Ec MetRS
 CP (97–251) 0.97 0.86 0.82 0.97 0.83 0.68
Ef ProRS
 ED (224–407) 0.80 0.83 0.86 0.83 0.84 0.89