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. 2019 Nov 27;116(51):25668–25676. doi: 10.1073/pnas.1909026116

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Fig. 5. — Thermostability of CXCR4^QTY and CCR10^QTY and extra intracellular hydrogen bond by simulation. (A) Relative affinity of CXCR4^QTY toward CXCL12 after heat treatment. (B) Relative affinity of CCR10^QTY toward CCL27 after heat treatment. (C–S) Additional internal hydrogen bonds in simulated CXCR4^QTY and CCR10^QTY. Notation: ‘s’ denotes a side chain bond and ‘b’ denotes a backbone bond. Thus, Q121s-T152s-T148b denotes that the side chain of Q at location 121 forms a hydrogen bond with the side chain of T at location 152, which forms a hydrogen bond with the backbone of T at position 148. In CXCR4^QTY: (C) Q260s-S260s-Y256b, (D) T215b-Q216s-Q246s, (E) Y249s-Q253, (F) Q167s-H203b, (G) T169s-Q165b, (H) T204s-Q208s, (I) Q78s-Q69s-Q69b, (J) T112s-Q108b, (K) Q290s-T287b. In CCR10QTY: (L) D35s-R192s-D289s, (M) Y14s-Q172-Q214/Q172-S106b, (N) Q63s-Q82s, (O) Q167s-T163s-H159b, (P) Q54s-Q305s-Y256b-Q252s-Q81s-T308s, (Q) Q259s-Q298s, (R) Y263s-Q211s-S207b, (S) D270s-Q292s.