3UKT

structure of the c-linker/cnbhd of zelk channels in p1 21 1 space group

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 47
  • Norm. En. per Res.: -2.5042
• Hub Node: B(2)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
B-A	-10.8567	-23.8701	-281.998	-316.7249	144	14	7	13785	6	57	68
B-C	-7.3494	-33.2512	-71.1618	-111.7625	52	3	2	3024	2	10	11
A-C	-11.8875	-28.2383	-77.5712	-117.6969	47	8	0	3484	1	26	13
C-D	-5.1303	-24.2883	-236.938	-266.3566	136	9	7	11589	4	63	60

Interface residues

• B-A: ALA571A, ALA571B, ALA573A, ALA573B, ALA605A, ALA605B, ALA608A, ALA608B, ALA653B, ARG548B, ARG549A, ARG549B, ARG549B8, ARG555A, ARG555B, ARG564A, ARG564B, ARG567A, ARG567B, ARG575A, ARG575B, ARG604A, ARG604B, ARG649A, ARG649B, ASN588A, ASN588B, ASN612A, ASN612B, ASP558A, ASP558B, ASP561A, ASP561B, ASP591A, ASP591B, ASP598A, ASP598B, ASP601A, ASP601B, ASP606A, ASP606B, ASP652A, ASP652B, CB9.22032-4.31021, CYS579A, CYS579B, GLN574A, GLN574B, GLN581A, GLN581B, GLN655A, GLN655B, GLN709A, GLN709B, GLU578A, GLU578B, GLU594A, GLU594B, GLU602A, GLU602B, GLY589A, GLY589B, HIS566A, HIS566B, HIS610A, HIS610B, ILE563A, ILE563B, ILE590A, ILE590B, ILE607A, ILE607B, ILE635A, ILE635B, ILE636A, ILE636B, LEU551A, LEU559A, LEU559B, LEU568A, LEU568B, LEU572A, LEU572B, LEU577A, LEU577B, LEU595A, LEU595B, LEU596A, LEU596B, LEU603A, LEU603B, LEU611A, LEU611B, LEU634A, LEU634B, LYS557A, LYS557B, LYS560A, LYS560B, LYS597A, LYS597B, LYS613A, LYS613B, LYS637A, LYS637B, LYS714A, LYS714B, MET576A, MET576B, MET609A, MET609B, PHE562A, PHE562B, PHE580A, PHE580B, PHE599A, PHE599B, PRO569A, PRO569B, PRO600A, PRO600B, SER585A, SER585B, SER593A, SER593B, SER633A, SER633B, THR554A, THR554B, THR556A, THR556B, THR582A, THR582B, THR583A, THR583B, THR638A, THR638B, TRP584A, TRP584B, TYR552A, VAL565A, VAL565B, VAL592A, VAL592B
• B-C: ALA642B, ALA675C, ALA702C, ARG548B, ARG549B, ARG549B8, ASN671C, ASP681C, ASP707B, CB8.42114-119.52909, CB9.702813.79069, CYS641B, CYS706B, GLU614B, GLU622C, GLU666C, GLY644C, GLY663B, GLY663C, GLY678C, GLY680C, HIS553B, HIS610B, ILE676C, LEU551B, LEU668C, LEU674C, LEU677C, LEU682C, LEU703C, LYS557B, LYS560B, LYS679C, MET665C, PHE640B, PRO619C, PRO643B, PRO643C, SER550B, SER662B, SER664C, THR554B, THR556B, THR672C, THR704B, THR704C, THR739C, TYR552B, TYR705B, TYR705C, VAL660C, VAL673C
• A-C: ALA571A, ALA573A, ALA624C, ARG564A, ARG567A, ASP561A, ASP681C, ASP737C, CYS661C, GLN574A, GLN617C, GLN735C, GLU614C, GLU622C, GLU733C, GLY678C, GLY680C, HIS566A, HIS736C, ILE563A, ILE734C, LEU568A, LEU572A, LEU577A, LEU615C, LEU616C, LEU618C, LEU620C, LEU682C, LEU738C, LYS560A, LYS570A, LYS679C, LYS729C, PHE621C, PHE659C, PHE730C, PRO569A, PRO619C, SER623C, SER662C, SER732C, THR739C, TYR726C, TYR740C, VAL565A, VAL660C
• C-D: ALA571C, ALA571D, ALA573C, ALA573D, ALA605C, ALA605D, ALA608C, ALA608D, ALA653C, ARG549C, ARG555C, ARG555D, ARG564D, ARG567C, ARG567D, ARG575C, ARG575D, ARG604C, ARG604D, ARG649C, ARG649D, ASN588C, ASN588D, ASN612C, ASN612D, ASP558C, ASP558D, ASP561C, ASP561D, ASP591C, ASP591D, ASP598C, ASP598D, ASP601C, ASP601D, ASP606C, ASP606D, ASP652C, ASP652D, CYS579C, CYS579D, GLN574C, GLN574D, GLN581C, GLN581D, GLN655C, GLN655D, GLN709C, GLN709D, GLU578C, GLU578D, GLU594C, GLU594D, GLU602C, GLU602D, GLU691C, GLU691D, GLY589C, GLY589D, HIS566C, HIS566D, HIS610C, HIS610D, ILE563C, ILE563D, ILE590C, ILE590D, ILE607C, ILE607D, ILE635C, ILE635D, ILE636C, ILE636D, LEU551C, LEU559C, LEU559D, LEU568C, LEU568D, LEU572C, LEU572D, LEU577C, LEU577D, LEU595C, LEU595D, LEU596C, LEU596D, LEU603C, LEU603D, LEU611C, LEU611D, LEU634C, LEU634D, LYS557C, LYS560C, LYS597C, LYS597D, LYS613C, LYS613D, LYS637C, LYS637D, LYS714C, MET576C, MET576D, MET609C, MET609D, PHE562C, PHE562D, PHE580C, PHE580D, PHE599C, PHE599D, PRO569C, PRO569D, PRO600C, PRO600D, SER585C, SER585D, SER593C, SER593D, SER633C, SER633D, THR554C, THR556C, THR556D, THR582C, THR582D, THR583C, THR583D, THR638C, THR638D, TRP584C, TRP584D, VAL565C, VAL565D, VAL592C, VAL592D