2VM2

crystal structure of barley thioredoxin h isoform 1 crystallized using peg as precipitant

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 55
  • Norm. En. per Res.: -3.158
• 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-C	-17.9191	-11.5858	-100.921	-130.4259	43	2	2	3367	4	12	12
A-D	-34.7121	-16.9448	-122.035	-173.6919	55	3	4	4896	1	11	8
B-C	-12.6104	0.0	-23.5522	-36.1626	20	1	0	823	0	3	3

Interface residues

• A-C: ALA10A, ALA111C, ALA116C, ALA22A, ASN23A, ASP103C, ASP104C, ASP18A, ASP26A, ASP90A, ASP95C, CYS11A, GLN15A, GLU16A, GLU69A, GLY114C, GLY24A, GLY28A, GLY91A, HIS106C, HIS12A, HIS20A, ILE105C, ILE109C, ILE9A, LEU112C, LYS108C, LYS14A, LYS25A, LYS89C, MET113C, MET21A, PHE17A, PHE57C, SER115C, SER117C, THR107C, THR118C, THR13A, THR19A, THR27A, VAL110C, VAL97C
• A-D: ALA37A, ALA37D, ALA74D, ALA81A, ALA81D, ARG101A, ARG101D, ARG44D, ASN78D, ASP103A, ASP104A, ASP68A, ASP68D, CYS40A, CYS40D, CYS43A, CYS43D, GLU75D, GLU80A, GLU80D, GLY100A, GLY100D, GLY41A, GLY41D, GLY99A, GLY99D, ILE46A, ILE46D, LYS102A, LYS71A, MET82A, MET82D, PHE35D, PHE85A, PRO42A, PRO42D, PRO83A, PRO83D, SER38A, SER38D, SER96D, THR36D, THR84A, THR84D, TRP39A, TRP39D, VAL45A, VAL45D, VAL67A, VAL67D, VAL79A, VAL79D, VAL97A, VAL98A, VAL98D
• B-C: ALA116C, ALA22B, ASN23B, ASP26B, ASP26C, ASP90B, GLY24B, GLY28B, GLY28C, HIS20B, LYS25B, LYS29B, LYS29C, LYS89B, SER115C, SER117C, THR118C, THR19B, THR27B, THR27C