2IU8

chlamydia trachomatis lpxd with 25mm udpglcnac (complex i)

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 276
  • Norm. En. per Res.: -3.489
• Hub Node: A(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
A-B	-131.5621	-84.4691	-746.933	-962.9642	276	30	19	28906	11	86	73
A-C	-109.074	-60.2004	-712.696	-881.9704	270	27	19	27932	8	85	70
B-C	-114.385	-50.799	-699.215	-864.399	273	40	18	28194	8	86	74

Interface residues

• A-B: ALA111A, ALA117A, ALA129A, ALA129B, ALA135A, ALA151A, ALA183A, ALA183B, ALA196A, ALA219A, ALA219B, ALA246A, ALA259A, ALA259B, ALA261A, ALA261B, ALA264A, ALA279A, ALA295A, ALA295B, ALA312A, ALA312B, ALA314A, ALA325A, ALA325B, ALA338B, ALA339A, ALA339B, ALA36B, ARG164A, ARG164B, ARG168A, ARG170A, ARG176B, ARG225A, ARG227A, ARG315A, ARG322A, ARG328A, ARG328B, ARG332A, ARG332B, ARG336A, ARG336B, ASN220A, ASN220B, ASN241A, ASN241B, ASN329A, ASN329B, ASN46B, ASP101B, ASP214B, ASP224A, ASP240B, ASP45B, CYS132A, CYS188A, CYS92B, GLN133A, GLN180A, GLN180B, GLN199A, GLN244A, GLN248A, GLN253B, GLN260A, GLN260B, GLN278A, GLN278B, GLN296A, GLN296B, GLN323A, GLN323B, GLN345A, GLN345B, GLN90B, GLU126A, GLU126B, GLU169A, GLU216B, GLU235B, GLU319A, GLU31B, GLU32B, GLU334A, GLU334B, GLU335A, GLU335B, GLU341A, GLU341B, GLU34B, GLU35B, GLU94B, GLY103B, GLY144B, GLY146A, GLY146B, GLY150A, GLY182A, GLY182B, GLY186A, GLY189A, GLY191A, GLY198A, GLY207A, GLY218A, GLY218B, GLY226A, GLY236B, GLY262A, GLY265A, GLY276A, GLY276B, GLY277A, GLY277B, GLY280A, GLY283A, GLY298A, GLY29B, GLY311A, GLY311B, HIS108A, HIS108B, HIS114A, HIS134A, HIS142B, HIS162B, HIS200A, HIS202A, HIS205A, HIS230A, HIS247A, HIS254B, HIS272B, HIS284A, HIS290B, HIS321B, HIS40B, ILE113A, ILE149A, ILE167A, ILE178B, ILE179A, ILE179B, ILE185A, ILE217B, ILE223A, ILE239B, ILE245A, ILE257A, ILE257B, ILE263A, ILE274B, ILE275A, ILE275B, ILE281A, ILE320A, ILE320B, ILE337A, ILE337B, ILE33B, ILE41B, ILE62B, ILE97B, LEU203A, LEU206A, LEU242A, LEU242B, LEU330A, LEU330B, LEU333A, LEU333B, LEU340A, LEU340B, LEU343A, LEU343B, LEU87B, LEU93B, LEU95B, LYS201A, LYS204A, LYS208A, LYS229A, LYS238B, LYS268A, LYS326A, LYS326B, LYS342B, LYS346A, LYS91B, MET1B, MET256B, MET294B, PHE104B, PHE190A, PHE197A, PHE228A, PHE43B, PHE89B, PHE96B, PRO105B, PRO109A, PRO109B, PRO115A, PRO127A, PRO127B, PRO163A, PRO163B, PRO181A, PRO181B, PRO313A, PRO316A, PRO331B, PRO85B, PRO99B, SER102B, SER145A, SER145B, SER147A, SER147B, SER153A, SER187A, SER195A, SER237B, SER255B, SER266A, SER2B, SER84B, SER86B, THR110A, THR110B, THR116A, THR194A, THR221A, THR221B, THR222A, THR222B, THR282A, THR297A, THR300A, THR42B, THR98B, TYR128A, TYR128B, TYR152A, TYR160B, TYR192A, TYR49B, VAL100B, VAL112A, VAL130A, VAL131A, VAL148A, VAL165A, VAL165B, VAL166A, VAL166B, VAL184A, VAL184B, VAL193A, VAL215B, VAL243A, VAL243B, VAL258A, VAL258B, VAL273B, VAL299A, VAL30B, VAL324A, VAL324B, VAL327A, VAL327B, VAL344A, VAL344B, VAL88B
• A-C: ALA111C, ALA117C, ALA129A, ALA129C, ALA135C, ALA151C, ALA183A, ALA183C, ALA196C, ALA219A, ALA219C, ALA246C, ALA259A, ALA259C, ALA261A, ALA261C, ALA264C, ALA279C, ALA295A, ALA295C, ALA312C, ALA314C, ALA325A, ALA325C, ALA338A, ALA339A, ALA339C, ALA36A, ARG164A, ARG164C, ARG168C, ARG170C, ARG176A, ARG225C, ARG227C, ARG315C, ARG322C, ARG328A, ARG328C, ARG332A, ARG332C, ARG336A, ARG336C, ASN220A, ASN220C, ASN241A, ASN241C, ASN271A, ASN329A, ASN329C, ASN46A, ASP101A, ASP214A, ASP224C, ASP240A, ASP45A, CYS132C, CYS188C, CYS92A, GLN133C, GLN180A, GLN180C, GLN199C, GLN244C, GLN248C, GLN253A, GLN260A, GLN260C, GLN278A, GLN278C, GLN296A, GLN296C, GLN323A, GLN323C, GLN345A, GLN3A, GLN90A, GLU126A, GLU169C, GLU216A, GLU235A, GLU319C, GLU31A, GLU32A, GLU334A, GLU334C, GLU335A, GLU335C, GLU341A, GLU34A, GLU35A, GLU83A, GLU94A, GLY103A, GLY144A, GLY146A, GLY146C, GLY150C, GLY182A, GLY182C, GLY186C, GLY189C, GLY191C, GLY198C, GLY207C, GLY218A, GLY218C, GLY226C, GLY236A, GLY262C, GLY265C, GLY276A, GLY276C, GLY277A, GLY277C, GLY280C, GLY283C, GLY298C, GLY311A, GLY311C, HIS108A, HIS114C, HIS134C, HIS162A, HIS200C, HIS202C, HIS205C, HIS230C, HIS247C, HIS254A, HIS272A, HIS284C, HIS290A, HIS321A, HIS40A, ILE113C, ILE149C, ILE167C, ILE178A, ILE179A, ILE185C, ILE217A, ILE223C, ILE239A, ILE245C, ILE257A, ILE257C, ILE263C, ILE274A, ILE275A, ILE275C, ILE281C, ILE320A, ILE320C, ILE337A, ILE337C, ILE33A, ILE41A, ILE62A, ILE97A, LEU203C, LEU206C, LEU242A, LEU242C, LEU330A, LEU330C, LEU333A, LEU333C, LEU340A, LEU340C, LEU343A, LEU343C, LEU87A, LEU93A, LEU95A, LYS201C, LYS204C, LYS208C, LYS229C, LYS238A, LYS301C, LYS326A, LYS326C, LYS342A, LYS346A, LYS346C, LYS91A, MET256A, MET294A, PHE104A, PHE190C, PHE197C, PHE228C, PHE43A, PHE89A, PHE96A, PRO105A, PRO109A, PRO109C, PRO115C, PRO127A, PRO127C, PRO163A, PRO163C, PRO181A, PRO181C, PRO313C, PRO316C, PRO331A, PRO85A, PRO99A, SER102A, SER145A, SER145C, SER147A, SER147C, SER153C, SER187C, SER195C, SER237A, SER255A, SER266C, SER84A, SER86A, THR110A, THR110C, THR116C, THR194C, THR221A, THR221C, THR222A, THR222C, THR282C, THR297C, THR300C, THR42A, THR98A, TYR128A, TYR128C, TYR152C, TYR160A, TYR192C, TYR317A, VAL100A, VAL112A, VAL112C, VAL130C, VAL131C, VAL148C, VAL165A, VAL165C, VAL166A, VAL166C, VAL184A, VAL184C, VAL193C, VAL215A, VAL243A, VAL243C, VAL258A, VAL258C, VAL273A, VAL299C, VAL30A, VAL324A, VAL324C, VAL327A, VAL327C, VAL344A, VAL88A
• B-C: ALA111B, ALA117B, ALA129B, ALA129C, ALA135B, ALA151B, ALA183B, ALA183C, ALA196B, ALA219B, ALA219C, ALA246B, ALA259B, ALA259C, ALA261B, ALA261C, ALA264B, ALA279B, ALA295B, ALA295C, ALA312B, ALA312C, ALA314B, ALA325B, ALA325C, ALA338C, ALA339B, ALA339C, ALA36C, ARG164B, ARG164C, ARG168B, ARG170B, ARG225B, ARG227B, ARG315B, ARG322B, ARG328B, ARG328C, ARG332B, ARG332C, ARG336B, ARG336C, ASN220B, ASN220C, ASN241B, ASN241C, ASN271C, ASN329B, ASN329C, ASN46C, ASP101C, ASP214C, ASP224B, ASP240C, ASP45C, CYS132B, CYS188B, CYS92C, GLN133B, GLN180C, GLN199B, GLN244B, GLN248B, GLN253C, GLN260B, GLN260C, GLN278B, GLN278C, GLN296B, GLN296C, GLN323B, GLN323C, GLN345B, GLN90C, GLU126B, GLU126C, GLU169B, GLU216C, GLU235C, GLU319B, GLU31C, GLU32C, GLU334B, GLU334C, GLU335B, GLU335C, GLU341C, GLU34C, GLU35C, GLU83C, GLU94C, GLY103C, GLY144C, GLY146B, GLY146C, GLY150B, GLY182B, GLY182C, GLY186B, GLY189B, GLY191B, GLY198B, GLY207B, GLY218B, GLY218C, GLY226B, GLY236C, GLY262B, GLY265B, GLY276B, GLY277B, GLY277C, GLY280B, GLY283B, GLY298B, GLY29C, GLY311B, GLY311C, HIS108B, HIS108C, HIS114B, HIS134B, HIS162C, HIS200B, HIS202B, HIS205B, HIS230B, HIS247B, HIS254C, HIS272C, HIS284B, HIS290C, HIS321C, HIS40C, HIS52C, ILE113B, ILE149B, ILE167B, ILE178C, ILE179C, ILE185B, ILE217C, ILE223B, ILE239C, ILE245B, ILE257B, ILE257C, ILE263B, ILE274C, ILE275B, ILE275C, ILE281B, ILE285B, ILE320B, ILE320C, ILE337B, ILE337C, ILE33C, ILE41C, ILE62C, ILE97C, LEU203B, LEU206B, LEU242B, LEU242C, LEU330B, LEU330C, LEU333B, LEU333C, LEU340B, LEU340C, LEU343B, LEU343C, LEU87C, LEU93C, LEU95C, LYS201B, LYS204B, LYS208B, LYS229B, LYS238C, LYS301B, LYS326B, LYS326C, LYS342C, LYS346C, LYS48C, LYS91C, MET256C, MET294C, PHE104C, PHE190B, PHE197B, PHE228B, PHE43C, PHE89C, PHE96C, PRO105C, PRO109B, PRO109C, PRO115B, PRO127B, PRO127C, PRO163B, PRO163C, PRO181B, PRO181C, PRO313B, PRO316B, PRO331C, PRO85C, PRO99C, SER102C, SER145B, SER145C, SER147B, SER147C, SER187B, SER195B, SER237C, SER255C, SER266B, SER84C, SER86C, THR110B, THR110C, THR116B, THR194B, THR221B, THR221C, THR222B, THR222C, THR267B, THR282B, THR297B, THR300B, THR42C, THR98C, TYR128B, TYR128C, TYR152B, TYR160C, TYR192B, TYR317C, TYR49C, VAL100C, VAL112B, VAL130B, VAL131B, VAL148B, VAL165B, VAL165C, VAL166B, VAL166C, VAL184B, VAL184C, VAL193B, VAL215C, VAL243B, VAL243C, VAL258B, VAL258C, VAL273C, VAL299B, VAL30C, VAL324B, VAL324C, VAL327B, VAL327C, VAL344B, VAL344C, VAL88C