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. Author manuscript; available in PMC: 2013 Jul 1.
Published in final edited form as: J Biomol Struct Dyn. 2012 Jun 18;30(3):347–361. doi: 10.1080/07391102.2012.680034

Figure 4. Highly significant correlations in platinum cross-linked system that became weak in the mismatched system.MSH2.

Figure 4

a) Correlations between mismatch binding and connector domain: D91 and 96-98 (Q97), from the former, are paired with P125 and 196-198 (K197) from the latter. Correlations within the connector domain (b): S144-G146-V147-D167; G149-Q218; V166-P196; P202-I224 (10.37 Å apart); K235-D240 (10.27 Å apart); R243-K246. Correlations within the lever domain (c): G315-E318; D319-G322; Q397-L401; and A398-Y405 coupled pairs. A bifurcation point in information flow: the end of the first section of the lever domain, region 451-456 (M453) is coupled with both 469-478 (V470) of the clamp domain and 574-580 (A576) of the second section of the lever domain. Additionally, high correlations between two adjacent regions, 572-583 (see A576) and 584-586 (S586) became weak correlations in the mismatched system. Correlations within the clamp domain: N538 is coupled with 496-498 (I497), 500-503 (D502), and R524, which are 18.60, 8.86, and 19.4Å apart, respectively; K528, F539, S540, T541, and V549 are paired with residues 498-511. Coupling between clamp and lever domains: L458-E580 pair, 15.54Å apart. Couplings within the ATPase domain: A710-D748; G753-T754; E786-T788; and K847-Q855 coupled pairs.

MSH6: d) Correlations within the mismatch binding domain: C135 and R136 are paired with P128; R136 is also paired with E129; K137 is paired with I141, V148 and R149; V148 is also paired with A139. Correlation within the connector domain: T311-E304 coupled pair. Correlations within the lever domain: from the first section of it, L382-I384-L397 and the coupled pairs I427-L437 and P477- D478; from the second section, D670 is paired with residues 660-663(E662). Correlations between the clamp and lever domains: R584- E661 and Q588-E662coupled pairs. Correlations between lever and ATPase domains: C714 from the end of the former, depicted in brown for clarity, is paired with A790 from the later. Correlations within the ATPase domain: the correlated pair D852-I929, 21.28 Å apart; region 769-771 (L771) is coupled with K927, about 17 Å apart; 943-947 (L944) and 955-956 (G955) are coupled with F939.