3LWN

shigella ipgb2 in complex with human rhoa, gdp and mg2+ (complex b)

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-F
  • Int. Res.: 135
  • Norm. En. per Res.: -4.1043
• 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	0.0	0.0	472.948	472.948	16	27	0	385	0	0	0
A-F	-94.4946	-93.7518	-365.84	-554.0865	135	20	7	14744	11	43	38
B-F	0.0	-6.0868	-12.1645	-18.2513	31	1	0	848	0	13	15
B-G	-90.5038	-81.7012	-372.528	-544.733	137	27	7	14642	12	41	36
F-G	0.0	0.0	-0.086	-0.086	2	0	0	24	0	0	0

Interface residues

• A-B: ALA44A, ALA56A, ASN41A, ASP59A, GLU40A, LEU22A, LEU55A, LEU57A, LEU8A, LYS7A, PHE39A, TRP58A, TYR3B, TYR42A, VAL43A, VAL9A
• A-F: ALA114F, ALA115F, ALA153F, ALA15A, ALA3A, ALA44A, ALA56A, ALA61A, ALA84F, ARG142F, ARG174F, ARG5A, ARG68A, ARG70A, ARG73F, ARG88F, ARG95F, ASN113F, ASN120F, ASN141F, ASN146F, ASN151F, ASN154F, ASN41A, ASN58F, ASN64F, ASN76F, ASP111F, ASP134F, ASP147F, ASP45A, ASP59A, ASP61F, ASP65A, ASP65F, ASP67A, ASP76A, ASP80F, CYS137F, CYS78F, CYS83F, GLN116F, GLN54F, GLN63A, GLN77F, GLU138F, GLU32A, GLU40A, GLU53F, GLU54A, GLU57F, GLU64A, GLU66F, GLY125F, GLY14A, GLY56F, GLY62A, HIS105A, HIS121F, HIS86F, ILE10A, ILE112F, ILE119F, ILE23A, ILE46A, ILE47F, ILE4A, ILE55F, ILE59F, ILE79F, ILE90F, LEU110F, LEU122F, LEU22A, LEU55A, LEU57A, LEU69A, LEU72A, LYS130F, LYS131F, LYS145F, LYS18A, LYS27A, LYS63F, LYS67F, LYS68F, LYS7A, LYS81F, LYS89F, MET133F, PHE106A, PHE129F, PHE39A, PHE82F, PHE99F, PRO36A, PRO71A, PRO75A, SER109F, SER117F, SER118F, SER124F, SER126F, SER127F, SER143F, SER150F, SER26A, SER50F, SER52F, SER72F, SER73A, SER87F, THR149F, THR19A, THR37A, THR60A, THR60F, TRP58A, TRP62F, TYR34A, TYR42A, TYR66A, TYR70F, TYR74A, VAL123F, VAL33A, VAL35A, VAL38A, VAL43A, VAL51F, VAL53A, VAL69F, VAL74F, VAL75F, VAL9A
• B-F: ARG122B, ASN120F, ASN123B, ASN146F, ASN58F, ASP120B, ASP124B, ASP165B, ASP28B, ASP61F, GLN116F, GLN29B, GLU125B, GLU57F, GLY56F, HIS121F, ILE59F, LEU121B, LEU48F, LYS119B, LYS164B, LYS22F, LYS27B, LYS63F, SER124F, SER150F, SER52F, THR149F, THR163B, THR60F, TYR3B
• B-G: ALA114G, ALA115G, ALA153G, ALA15B, ALA3B, ALA44B, ALA56B, ALA61B, ALA84G, ARG142G, ARG174G, ARG5B, ARG68B, ARG70B, ARG73G, ARG88G, ARG95G, ASN113G, ASN120G, ASN141G, ASN146G, ASN151G, ASN154G, ASN41B, ASN58G, ASN64G, ASN76G, ASP111G, ASP134G, ASP147G, ASP45B, ASP59B, ASP61G, ASP65B, ASP65G, ASP67B, ASP76B, ASP80G, ASP92G, CYS137G, CYS78G, CYS83G, GLN116G, GLN52B, GLN54G, GLN63B, GLN77G, GLU32B, GLU40B, GLU53G, GLU54B, GLU64B, GLU66G, GLY125G, GLY14B, GLY56G, GLY62B, GLY91G, HIS121G, HIS86G, ILE10B, ILE112G, ILE119G, ILE23B, ILE46B, ILE47G, ILE4B, ILE55G, ILE59G, ILE79G, ILE90G, LEU110G, LEU122G, LEU22B, LEU48G, LEU55B, LEU57B, LEU69B, LEU72B, LYS130G, LYS131G, LYS145G, LYS18B, LYS27B, LYS63G, LYS67G, LYS68G, LYS7B, LYS81G, LYS89G, MET133G, PHE106B, PHE129G, PHE39B, PHE82G, PHE99G, PRO31B, PRO36B, PRO71B, PRO75B, SER117G, SER118G, SER124G, SER126G, SER127G, SER143G, SER150G, SER26B, SER49G, SER50G, SER52G, SER72G, SER73B, SER87G, THR149G, THR19B, THR37B, THR60B, THR60G, TRP58B, TRP62G, TYR34B, TYR42B, TYR66B, TYR70G, TYR74B, VAL123G, VAL33B, VAL35B, VAL38B, VAL43B, VAL51G, VAL53B, VAL69G, VAL74G, VAL75G, VAL9B
• F-G: ASN141G, PHE19F