3IKC

structure of s67-27 in complex with kdo(2.8)-7-o-methyl-kdo

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 185
  • Norm. En. per Res.: -3.4948
• 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	-56.3488	-91.4176	-517.461	-665.2273	193	21	13	20375	4	20	15
A-D	0.0	-6.4634	-22.6006	-29.064	25	2	0	1225	0	2	1
B-C	-10.4029	0.0	-32.1966	-42.5995	29	13	0	1510	0	2	1
B-D	-57.4565	-3.0578	-92.8563	-153.3707	49	7	1	4084	0	13	16
C-D	-58.9959	-84.3914	-503.147	-646.5343	185	14	12	19761	4	20	14

Interface residues

• A-B: ALA101B, ALA129A, ALA34A, ALA44B, ALA51A, ALA61B, ALA93B, ARG164B, ARG209B, ARG210A, ARG213B, ARG27A, ARG38B, ARG52B, ARG54A, ARG94B, ARG95A, ASN136A, ASN137A, ASN156A, ASN160A, ASN209A, ASN27A, ASN31A, ASN92A, ASN93A, ASP164A, ASP166A, ASP169A, ASP95B, CYS133A, CYS140B, CYS88A, CYS92B, GLN105B, GLN123A, GLN171B, GLN37A, GLN38A, GLN39B, GLN42A, GLN6A, GLN90A, GLU100B, GLU122A, GLU211B, GLU212A, GLU46B, GLU55A, GLU58B, GLU6B, GLY100A, GLY100B, GLY104B, GLY106B, GLY127B, GLY128A, GLY139B, GLY157A, GLY162B, GLY41A, GLY42B, GLY49B, GLY98A, GLY99A, ILE116A, ILE210B, ILE48A, ILE96B, LEU124A, LEU124B, LEU135A, LEU138B, LEU141B, LEU159A, LEU170B, LEU177B, LEU178A, LEU180A, LEU180B, LEU33A, LEU45B, LEU46A, LEU47A, LEU48B, LEU94A, LYS102A, LYS141A, LYS143B, LYS168A, LYS208B, LYS30A, LYS39A, LYS43B, LYS45A, LYS53B, LYS64B, LYS89A, MET174A, MET34B, PHE100B, PHE117A, PHE134A, PHE138A, PHE174B, PHE208A, PHE50B, PHE97A, PRO118A, PRO119A, PRO123B, PRO126B, PRO40B, PRO44A, PRO98B, SER115A, SER120A, SER120B, SER121A, SER126A, SER130A, SER135B, SER160B, SER161A, SER161B, SER167A, SER167B, SER168B, SER170A, SER172B, SER173A, SER175A, SER176A, SER176B, SER178B, SER179B, SER207A, SER35B, SER43A, SER56A, SER60B, SER91A, SER97B, THR113A, THR125A, THR137B, THR151B, THR163A, THR165B, THR171A, THR177A, THR179A, THR182B, THR28A, THR53A, THR57B, THR89B, THR96A, TRP103B, TRP162A, TRP35A, TRP36B, TRP47B, TRP50A, TYR100B, TYR102B, TYR122B, TYR172A, TYR175B, TYR185A, TYR32A, TYR33B, TYR36A, TYR49A, TYR59B, TYR86A, TYR87A, TYR91B, VAL100B, VAL114A, VAL121B, VAL125B, VAL131A, VAL132A, VAL136B, VAL142B, VAL158A, VAL163B, VAL166B, VAL169B, VAL181B, VAL37B, VAL85A
• A-D: ALA114D, ALA118D, ALA201D, GLN123A, GLN13D, GLU122A, GLY127A, GLY128A, HIS199D, LEU11D, LEU124A, LYS182A, LYS203D, PHE146D, PRO147D, PRO200D, SER120A, SER121A, SER126A, SER202D, THR115D, THR116D, THR117D, THR125A, THR204D
• B-C: ALA113B, ALA114B, ALA118B, ALA201B, ASN16B, GLN123C, GLN13B, GLU122C, GLU186C, GLY127C, GLY128C, HIS199B, LEU11B, LEU124C, LYS182C, LYS203B, PHE146B, PRO147B, PRO200B, SER112B, SER121C, SER126C, SER202B, THR115B, THR116B, THR117B, THR125C, THR204B, VAL12B
• B-D: ALA118B, ALA118D, ALA198B, ALA198D, ALA201B, ARG209B, ARG209D, ASN196B, ASN196D, CYS195D, GLU205B, GLU205D, GLU211B, GLU211D, HIS199B, ILE194B, ILE194D, ILE207B, ILE207D, ILE210D, LEU206B, LEU206D, LYS203B, LYS203D, LYS208B, LYS208D, PRO119B, PRO119D, PRO123B, PRO123D, PRO200B, PRO212D, SER120B, SER120D, SER202B, SER202D, THR115B, THR116B, THR117B, THR204B, THR204D, TYR122B, TYR122D, TYR156B, TYR156D, VAL121B, VAL121D, VAL197B, VAL197D
• C-D: ALA101D, ALA129C, ALA34C, ALA44D, ALA51C, ALA61D, ALA93D, ARG164D, ARG209D, ARG210C, ARG213D, ARG27C, ARG38D, ARG52D, ARG54C, ARG94D, ARG95C, ASN136C, ASN137C, ASN160C, ASN209C, ASN27C, ASN31C, ASN92C, ASN93C, ASP164C, ASP166C, ASP169C, ASP95D, CYS133C, CYS140D, CYS88C, CYS92D, GLN105D, GLN123C, GLN171D, GLN37C, GLN38C, GLN39D, GLN42C, GLN6C, GLN90C, GLU100D, GLU122C, GLU212C, GLU46D, GLU55C, GLU58D, GLU6D, GLY100C, GLY100D, GLY104D, GLY106D, GLY127C, GLY127D, GLY128C, GLY139D, GLY157C, GLY162D, GLY41C, GLY42D, GLY49D, GLY98C, GLY99C, ILE116C, ILE210D, ILE48C, ILE96D, LEU124C, LEU124D, LEU135C, LEU138D, LEU141D, LEU159C, LEU170D, LEU177D, LEU180C, LEU180D, LEU33C, LEU45D, LEU46C, LEU47C, LEU48D, LEU94C, LYS141C, LYS143D, LYS168C, LYS208D, LYS30C, LYS39C, LYS43D, LYS45C, LYS53D, LYS64D, LYS89C, MET174C, MET34D, PHE100D, PHE117C, PHE134C, PHE138C, PHE208C, PHE50D, PHE97C, PRO118C, PRO119C, PRO123D, PRO126D, PRO40C, PRO44C, PRO98D, SER115C, SER120C, SER120D, SER121C, SER126C, SER130C, SER135D, SER161C, SER161D, SER167C, SER167D, SER168D, SER170C, SER172D, SER173C, SER175C, SER176C, SER176D, SER178D, SER179D, SER207C, SER35D, SER43C, SER56C, SER60D, SER91C, SER97D, THR113C, THR125C, THR137D, THR163C, THR165D, THR171C, THR177C, THR179C, THR182D, THR28C, THR53C, THR57D, THR89D, THR96C, TRP103D, TRP162C, TRP35C, TRP36D, TRP47D, TRP50C, TYR100D, TYR102D, TYR122D, TYR172C, TYR185C, TYR32C, TYR33D, TYR36C, TYR49C, TYR59D, TYR86C, TYR87C, TYR91D, VAL100D, VAL114C, VAL121D, VAL125D, VAL131C, VAL132C, VAL136D, VAL158C, VAL163D, VAL166D, VAL169D, VAL181D, VAL37D, VAL85C