3HNQ

crystal structure of virulence protein stm3117 from salmonella typhimurium. northeast structural genomics consortium target id str274

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 177
  • Norm. En. per Res.: -5.4885
• 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	-229.6214	-32.2661	-709.583	-971.4705	177	47	20	27114	2	64	51
A-C	-18.6162	-1.1539	-68.8807	-88.6507	39	4	1	2901	0	16	9
A-D	0.0	15.5964	-27.1272	-11.5308	24	1	0	1048	0	3	5
B-C	0.0	0.0	-0.0174	-0.0174	4	0	0	6	0	2	4
C-D	-208.1661	-19.8939	-697.661	-925.721	177	44	20	27076	2	64	51

Interface residues

• A-B: ALA121A, ALA121B, ALA58A, ALA58B, ALA63A, ALA63B, ALA79A, ALA79B, ALA87A, ALA87B, ARG118A, ARG118B, ARG131A, ARG131B, ARG23A, ARG23B, ARG56A, ARG56B, ARG81A, ARG81B, ASN136A, ASN136B, ASN67A, ASN67B, ASP132A, ASP132B, ASP134A, ASP134B, ASP22A, ASP22B, ASP25A, ASP25B, ASP88A, ASP88B, CYS90A, CYS90B, GLN142A, GLN142B, GLN64A, GLN64B, GLN71A, GLN71B, GLU103A, GLU103B, GLU113A, GLU113B, GLU117A, GLU117B, GLU124A, GLU124B, GLU139A, GLU139B, GLU74A, GLU74B, GLU76A, GLU76B, GLY114B, GLY120A, GLY120B, GLY123A, GLY123B, GLY135A, GLY135B, GLY46A, GLY46B, GLY62A, GLY62B, GLY85A, GLY85B, HIS26A, HIS26B, HIS69A, HIS69B, ILE104A, ILE104B, ILE125A, ILE125B, ILE128B, ILE130A, ILE130B, ILE138A, ILE138B, ILE140A, ILE140B, ILE20A, ILE20B, ILE21A, ILE21B, ILE24A, ILE24B, ILE60A, ILE60B, ILE66A, ILE66B, ILE92A, ILE92B, LEU137A, LEU137B, LEU27A, LEU27B, LEU29A, LEU29B, LEU45A, LEU45B, LEU59A, LEU59B, LEU89A, LEU89B, LYS53A, LYS53B, LYS65A, LYS65B, LYS78A, LYS78B, PHE47A, PHE47B, PHE52A, PHE52B, PHE61A, PHE61B, PHE75A, PHE75B, PHE91A, PHE91B, PRO77A, PRO77B, PRO82A, PRO82B, PRO84A, PRO84B, PRO96A, PRO96B, SER127A, SER127B, SER141A, SER141B, SER32A, SER32B, SER80A, SER80B, SER86A, SER86B, SER94A, SER94B, THR119A, THR119B, THR122A, THR122B, THR30A, THR30B, THR51B, THR83A, THR83B, THR93A, THR93B, THR95A, THR95B, TYR129A, TYR129B, TYR143A, TYR143B, TYR41A, TYR41B, VAL100A, VAL100B, VAL112A, VAL112B, VAL116A, VAL116B, VAL28A, VAL28B, VAL31A, VAL31B, VAL44A, VAL44B, VAL50A, VAL50B
• A-C: ALA49C, ALA58C, ALA63C, ARG56A, ARG56C, ASN55A, ASN55C, GLN54A, GLN54C, GLN64C, GLN70A, GLN71A, GLU42C, GLU72A, GLU74A, GLU76A, GLY46C, GLY62C, HIS69A, ILE38C, ILE60C, ILE92C, LEU59C, LYS53A, LYS53C, LYS57C, LYS65C, LYS78A, PHE47C, PHE52C, PHE61C, PHE75A, PRO77A, PRO82A, SER48C, SER94C, THR51C, THR93C, VAL50C
• A-D: ALA121D, ARG118D, ARG23D, ASN55A, ASP22D, ASP33A, GLN54A, GLN70A, GLN71A, GLU124D, GLU72A, GLY120D, GLY123D, ILE20D, ILE21D, ILE34A, LYS53A, LYS57A, PHE75A, SER32A, SER35A, THR119D, THR122D, TYR143D
• B-C: ARG118B, GLU113B, GLU42C, SER48C
• C-D: ALA121C, ALA121D, ALA58C, ALA58D, ALA63C, ALA63D, ALA79C, ALA79D, ALA87C, ALA87D, ARG118C, ARG118D, ARG131C, ARG131D, ARG23C, ARG23D, ARG56C, ARG56D, ARG81C, ARG81D, ASN136C, ASN136D, ASN67C, ASN67D, ASP132C, ASP132D, ASP134C, ASP134D, ASP22C, ASP22D, ASP25C, ASP25D, ASP88C, ASP88D, ASP99C, CYS90C, CYS90D, GLN142C, GLN142D, GLN64C, GLN64D, GLN71C, GLN71D, GLU103C, GLU103D, GLU113C, GLU113D, GLU117C, GLU117D, GLU124C, GLU124D, GLU139C, GLU139D, GLU74C, GLU76C, GLU76D, GLY114D, GLY120C, GLY120D, GLY123C, GLY123D, GLY135C, GLY135D, GLY46C, GLY46D, GLY62C, GLY62D, GLY85C, GLY85D, HIS26C, HIS26D, HIS69C, HIS69D, ILE104C, ILE104D, ILE125C, ILE125D, ILE128C, ILE128D, ILE130C, ILE130D, ILE138C, ILE138D, ILE140C, ILE140D, ILE20C, ILE20D, ILE21C, ILE21D, ILE24C, ILE24D, ILE60C, ILE60D, ILE66C, ILE66D, ILE92C, ILE92D, LEU137C, LEU137D, LEU27C, LEU27D, LEU29C, LEU29D, LEU45C, LEU45D, LEU59C, LEU59D, LEU89C, LEU89D, LYS53C, LYS53D, LYS65C, LYS65D, LYS78C, LYS78D, PHE47C, PHE47D, PHE52C, PHE52D, PHE61C, PHE61D, PHE75C, PHE75D, PHE91C, PHE91D, PRO133D, PRO77C, PRO77D, PRO82C, PRO82D, PRO84C, PRO84D, PRO96C, PRO96D, SER127C, SER127D, SER141C, SER141D, SER32C, SER32D, SER80C, SER80D, SER86C, SER86D, SER94C, SER94D, THR119C, THR119D, THR122C, THR122D, THR30C, THR30D, THR83C, THR83D, THR93C, THR93D, THR95C, THR95D, TYR129C, TYR129D, TYR143C, TYR143D, TYR41C, TYR41D, VAL100C, VAL100D, VAL112C, VAL112D, VAL116C, VAL116D, VAL28C, VAL28D, VAL31C, VAL44C, VAL44D, VAL50C, VAL50D