3I6B

crystal structure of yrbi lacking the last 8 residues, in complex with kdo and inorganic phosphate

• Total interactions analyzed: 10
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 96
  • Norm. En. per Res.: -5.6143
• Hub Node: A(3)

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	-118.5355	-134.657	-285.781	-538.9735	96	12	9	10407	8	35	31
A-C	0.0	0.0	-0.8797	-0.8797	10	0	0	151	0	0	4
A-D	-110.2682	-101.0828	-252.131	-463.482	92	11	6	9303	7	32	31
B-C	-112.8845	-96.8644	-254.459	-464.2079	89	8	6	9413	6	32	32
B-D	0.0	3.6593	-0.2723	3.3869	11	0	0	75	0	0	4
C-D	-109.8316	-106.9502	-262.793	-479.5748	96	15	10	10052	7	35	33

Interface residues

• A-B: ALA141A, ALA143A, ALA145A, ALA160A, ALA53B, ALA80B, ALA88B, ARG152A, ARG163A, ARG163B, ARG167B, ARG57B, ARG63B, ARG78A, ARG86B, ASN46A, ASN47A, ASN47B, ASN55B, ASP125A, ASP126A, ASP144A, ASP171B, ASP32A, ASP34A, ASP39A, ASP39B, ASP58B, ASP85B, CYS11B, CYS170B, CYS64B, CYS87B, GLU168B, GLU49A, GLU49B, GLU50A, GLU50B, GLU84B, GLY124A, GLY13B, GLY161A, GLY161B, GLY162B, GLY164B, GLY35A, GLY40A, GLY45A, GLY48A, GLY48B, GLY59B, GLY61B, GLY77A, HIS146A, ILE128A, ILE150A, ILE159B, ILE42A, ILE42B, LEU127A, LEU148A, LEU149A, LEU175B, LEU180B, LEU37B, LEU41A, LEU41B, LEU51A, LEU51B, LEU82B, LEU90B, LYS52A, LYS52B, LYS79A, LYS79B, LYS81B, MET44A, MET44B, PHE54B, PRO147A, PRO151A, SER100A, SER38A, SER38B, THR10B, THR76A, THR89B, TYR12B, TYR43A, TYR43B, TYR60B, VAL142A, VAL33A, VAL36A, VAL56B, VAL83B
• A-C: ALA53A, ALA53C, ARG163C, GLU49A, GLU49C, LEU41A, LEU51A, LEU51C, TYR43A, TYR43C
• A-D: ALA141D, ALA143D, ALA145D, ALA160D, ALA53A, ALA80A, ALA88A, ARG158A, ARG163A, ARG163D, ARG167A, ARG57A, ARG78A, ARG78D, ARG86A, ASN46D, ASN47A, ASN47D, ASN55A, ASP125D, ASP126D, ASP129D, ASP144D, ASP171A, ASP34D, ASP39A, ASP39D, ASP58A, ASP85A, CYS11A, CYS170A, CYS64A, CYS87A, GLU168A, GLU49A, GLU49D, GLU50A, GLU50D, GLU84A, GLY124D, GLY13A, GLY161A, GLY161D, GLY162A, GLY164A, GLY35D, GLY40D, GLY45D, GLY48A, GLY48D, GLY59A, GLY61A, HIS146D, ILE128D, ILE150D, ILE159A, ILE42A, ILE42D, LEU127D, LEU148D, LEU149D, LEU174A, LEU175A, LEU37A, LEU41A, LEU41D, LEU51A, LEU51D, LEU82A, LEU90A, LYS52A, LYS52D, LYS79A, LYS81A, MET44A, MET44D, PHE54A, PRO147D, PRO151D, SER38A, SER38D, THR10A, THR89A, TYR12A, TYR43A, TYR43D, TYR60A, VAL142D, VAL33D, VAL36D, VAL56A, VAL83A
• B-C: ALA143B, ALA145B, ALA53C, ALA80C, ALA88C, ARG158C, ARG163B, ARG163C, ARG167C, ARG57C, ARG78C, ARG86C, ASN46B, ASN47B, ASN47C, ASN55C, ASP125B, ASP126B, ASP129B, ASP144B, ASP171C, ASP34B, ASP39B, ASP39C, ASP58C, ASP85C, CYS11C, CYS170C, CYS64C, CYS87C, GLU168C, GLU49B, GLU49C, GLU50B, GLU50C, GLU84C, GLY124B, GLY13C, GLY161B, GLY161C, GLY162C, GLY164C, GLY35B, GLY40B, GLY45B, GLY48B, GLY48C, GLY59C, GLY61C, HIS146B, ILE128B, ILE150B, ILE159C, ILE42B, ILE42C, LEU127B, LEU148B, LEU149B, LEU175C, LEU180C, LEU37C, LEU41B, LEU41C, LEU51B, LEU51C, LEU82C, LEU90C, LYS52B, LYS52C, LYS79C, LYS81C, MET44B, MET44C, PHE54C, PRO147B, PRO151B, SER38B, SER38C, THR10C, THR89C, TYR12C, TYR43B, TYR43C, TYR60C, VAL142B, VAL33B, VAL36B, VAL56C, VAL83C
• B-D: ALA53B, ALA53D, ARG163B, ARG163D, GLU49B, GLU49D, GLY45D, LEU51B, LEU51D, TYR43B, TYR43D
• C-D: ALA143C, ALA145C, ALA160C, ALA53D, ALA80D, ALA88D, ARG152C, ARG158D, ARG163C, ARG163D, ARG167D, ARG57D, ARG63D, ARG78C, ARG86D, ASN46C, ASN47C, ASN47D, ASN55D, ASP125C, ASP126C, ASP129C, ASP144C, ASP171D, ASP32C, ASP34C, ASP39C, ASP39D, ASP58D, ASP85D, CYS11D, CYS64D, CYS87D, GLU168D, GLU49C, GLU49D, GLU50C, GLU50D, GLU84D, GLY124C, GLY13D, GLY161C, GLY161D, GLY162D, GLY164D, GLY35C, GLY40C, GLY45C, GLY48C, GLY48D, GLY59D, GLY61D, GLY77C, HIS146C, ILE128C, ILE150C, ILE159D, ILE42C, ILE42D, LEU127C, LEU148C, LEU149C, LEU175D, LEU180D, LEU37D, LEU41C, LEU41D, LEU51C, LEU51D, LEU82D, LEU90D, LYS102C, LYS52C, LYS52D, LYS79D, LYS81D, MET44C, MET44D, PHE54D, PRO147C, PRO151C, SER100C, SER38C, SER38D, THR10D, THR76C, THR89D, TYR12D, TYR43C, TYR43D, TYR60D, VAL142C, VAL33C, VAL36C, VAL56D, VAL83D