The weighted hydrogen-bond scores H (see eqs. 1 and 2 for details) in descending order for residues in the N-terminal domain of FGF23 that form hydrogen bonds with ZINC13407541, 13a, and 8n in the molecular docking
ZINC13407541 | 13a | 8n | |||
---|---|---|---|---|---|
Residue | H | Residue | H | Residue | H |
Gln156 | 0.417 | Tyr93 | 0.293 | Tyr93 | 0.159 |
Asn122 | 0.408 | Gln156 | 0.278 | Gln156 | 0.143 |
Arg76 | 0.242 | Asn122 | 0.207 | Thr86 | 0.096 |
Ser77 | 0.159 | Thr86 | 0.120 | Tyr154 | 0.091 |
Tyr93 | 0.134 | Arg76 | 0.113 | Ser137 | 0.074 |
Thr86 | 0.115 | Ser77 | 0.101 | Gly139 | 0.074 |
Met74 | 0.083 | Met74 | 0.078 | Thr46 | 0.063 |
Val84 | 0.083 | Val84 | 0.078 | Asn49 | 0.063 |
Leu146 | 0.027 | Ala45 | 0.035 | Ser77 | 0.063 |
Ile75 | 0.024 | Gln67 | 0.031 | Arg76 | 0.061 |
Gly38 | 0.012 | Leu146 | 0.021 | Ser155 | 0.052 |
Glu78 | 0.009 | Asn49 | 0.015 | Ile75 | 0.047 |
Ser159 | 0.009 | Pro152 | 0.015 | Leu146 | 0.045 |
Gln118 | 0.007 | Tyr154 | 0.015 | Met74 | 0.033 |
Thr119 | 0.007 | Ser155 | 0.015 | Val84 | 0.033 |
Ser34 | 0.024 | ||||
Gly38 | 0.024 | ||||
Pro152 | 0.024 | ||||
Asn162 | 0.024 | ||||
Ile164 | 0.024 | ||||
Asp125 | 0.020 | ||||
Tyr127 | 0.020 | ||||
Ser159 | 0.020 |
Ala, Alanine; Arg, Arginine; Asn, Asparagine; Asp, Aspartic acid; Glu, Glutamic acid; Gly, Glycine; Ile, Isoleucine; Leu, Leucine; Met, Methionine; Pro, Proline; Ser, Serine; Thr, Threonine; Tyr, Tyrosine; Val, Valine.