3RF3

shigella ipaa-vbs3 in complex with human vinculin

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 104
  • Norm. En. per Res.: -3.7385
• 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	0.0	7.7694	-26.4488	-18.6794	50	3	0	1407	0	6	7
A-C	-42.7778	-43.1693	-302.857	-388.8041	104	4	23	14369	3	7	6
A-D	-3.0137	-8.3808	-67.1004	-78.4949	35	3	0	2824	0	12	12
B-C	-2.7903	-8.1842	-65.2267	-76.2012	35	2	0	2781	0	12	11
B-D	-25.7742	-41.0888	-308.058	-374.921	104	7	24	14617	3	7	6
C-D	0.0	0.0	-0.8619	-0.8619	10	0	0	142	0	2	5

Interface residues

• A-B: ALA42A, ALA42B, ALA46A, ALA46B, ALA49A, ALA49B, ALA50A, ALA50B, ARG188A, ARG188B, ARG7A, ARG7B, ASN196A, ASN196B, ASP176A, ASP176B, GLN179A, GLN179B, GLN180A, GLN180B, GLN185A, GLN185B, GLN19A, GLN19B, GLU10A, GLU10B, GLU14A, GLU14B, ILE12A, ILE12B, LEU13A, LEU13B, PRO15A, PRO15B, PRO38A, PRO38B, PRO43A, PRO43B, SER11A, SER11B, THR183A, THR183B, THR8A, THR8B, VAL16A, VAL16B, VAL189A, VAL189B, VAL192A, VAL192B
• A-C: ALA17A, ALA36A, ALA42A, ALA45A, ALA46A, ALA495C, ALA49A, ALA50A, ALA77A, ALA84A, ALA91A, ALA92A, ARG105A, ARG113A, ARG489C, ARG56A, ASN501C, ASN505C, ASN53A, ASP127A, ASP33A, ASP39A, CYS85A, GLN18A, GLN19A, GLN48A, GLU10A, GLU130A, GLU14A, GLU490C, GLU494C, GLU60A, GLY111A, GLY114A, GLY118A, GLY58A, HIS22A, HIS27A, ILE109A, ILE115A, ILE12A, ILE20A, ILE37A, ILE492C, ILE507C, ILE510C, ILE9A, LEU108A, LEU116A, LEU122A, LEU123A, LEU124A, LEU13A, LEU23A, LEU40A, LEU503C, LEU506C, LEU509C, LEU54A, LEU70A, LEU88A, LEU95A, LYS35A, LYS497C, LYS498C, LYS59A, MET26A, MET74A, PHE126A, PHE493C, PHE78A, PRO15A, PRO38A, PRO43A, SER112A, SER117A, SER11A, SER120A, SER21A, SER496C, SER502C, SER504C, SER508C, SER52A, THR119A, THR125A, THR41A, THR491C, THR500C, THR61A, THR64A, THR6A, THR8A, VAL16A, VAL24A, VAL44A, VAL47A, VAL499C, VAL51A, VAL55A, VAL57A, VAL62A, VAL81A, VAL89A
• A-D: ARG178A, ARG188A, ARG7A, ASN501D, ASN505D, ASP176A, GLN179A, GLN180A, GLN185A, GLU10A, GLU177A, GLU181A, GLU494D, ILE12A, ILE507D, ILE510D, ILE9A, LEU182A, LEU503D, LEU506D, LEU509D, LYS173A, LYS497D, LYS498D, SER11A, SER502D, SER504D, SER508D, THR183A, THR500D, THR6A, THR8A, VAL189A, VAL192A, VAL499D
• B-C: ARG178B, ARG188B, ARG7B, ASN501C, ASN505C, ASP176B, GLN179B, GLN180B, GLN185B, GLU10B, GLU177B, GLU181B, GLU494C, ILE12B, ILE507C, ILE510C, ILE9B, LEU182B, LEU503C, LEU506C, LEU509C, LYS173B, LYS497C, LYS498C, SER11B, SER502C, SER504C, SER508C, THR183B, THR500C, THR6B, THR8B, VAL189B, VAL192B, VAL499C
• B-D: ALA17B, ALA36B, ALA42B, ALA45B, ALA46B, ALA495D, ALA49B, ALA50B, ALA77B, ALA84B, ALA91B, ALA92B, ARG105B, ARG113B, ARG489D, ARG56B, ASN501D, ASN505D, ASN53B, ASP127B, ASP33B, ASP39B, CYS85B, GLN18B, GLN19B, GLN48B, GLU10B, GLU130B, GLU14B, GLU31B, GLU490D, GLU494D, GLU60B, GLY111B, GLY114B, GLY118B, GLY511D, GLY58B, HIS22B, ILE109B, ILE115B, ILE12B, ILE20B, ILE37B, ILE492D, ILE507D, ILE510D, ILE9B, LEU108B, LEU116B, LEU122B, LEU123B, LEU124B, LEU13B, LEU23B, LEU40B, LEU503D, LEU506D, LEU509D, LEU54B, LEU70B, LEU88B, LEU95B, LYS35B, LYS497D, LYS498D, LYS59B, MET26B, MET74B, PHE126B, PHE493D, PHE78B, PRO15B, PRO38B, PRO43B, SER112B, SER117B, SER11B, SER120B, SER21B, SER496D, SER502D, SER504D, SER508D, SER52B, THR119B, THR125B, THR41B, THR491D, THR500D, THR61B, THR64B, THR6B, THR8B, VAL16B, VAL44B, VAL47B, VAL499D, VAL51B, VAL55B, VAL57B, VAL62B, VAL81B, VAL89B
• C-D: ARG489C, ARG489D, GLU494C, GLU494D, PHE493C, PHE493D, THR488C, THR488D, THR491C, THR491D