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. 2017 Feb 22;7:43162. doi: 10.1038/srep43162

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Copyright © 2017, The Author(s)

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(a) The bond paths of hydrogen bonding around the isoalloxazine ring. BCPs of the hydrogen bonding are represented as green spheres. (b) Dependence between distance and ρ_BCP for hydrogen bonding. Filled circles in cyan, blue, red and green are for NHO, NHN, OHO and CHN/O bonds, respectively. A relationship derived from small molecules²⁹ is overlaid as a solid curve in gray. Small gray circles represent the NHO, NHN and OH···O bonds in the main chain. Dark-gray circles also represent the C_αHN/O bonds. (c) Dependence between the distance and dissociation energy D_e.

Inline graphic — (a) The bond paths of hydrogen bonding around the isoalloxazine ring. BCPs of the hydrogen bonding are represented as green spheres. (b) Dependence between distance and ρ_BCP for hydrogen bonding. Filled circles in cyan, blue, red and green are for NHO, NHN, OHO and CHN/O bonds, respectively. A relationship derived from small molecules²⁹ is overlaid as a solid curve in gray. Small gray circles represent the NHO, NHN and OH···O bonds in the main chain. Dark-gray circles also represent the C_αHN/O bonds. (c) Dependence between the distance and dissociation energy D_e.