3TCO

crystallographic and spectroscopic characterization of sulfolobus solfataricus trxa1 provide insights into the determinants of thioredoxin fold stability

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 58
  • Norm. En. per Res.: -1.4572
• 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	-8.2778	54.5661	-130.808	-84.5197	58	1	3	5032	0	11	13
A-C	0.0	0.0	-0.0007	-0.0007	2	0	0	2	0	3	1
B-C	-8.0257	64.0596	-128.007	-71.9731	59	3	3	4862	0	11	12

Interface residues

• A-B: ALA71B, ALA78B, ARG43A, ARG43B, ASN108A, ASN37B, ASN44B, ASN45B, ASP113A, ASP28B, ASP39B, ASP93A, GLN110A, GLU27B, GLU36B, GLU40B, GLU72B, GLY109A, GLY76B, ILE105A, ILE42B, LEU104A, LEU111A, LEU115A, LEU132B, LEU31B, LEU33B, LEU47B, LEU98A, LYS130A, LYS46A, LYS46B, LYS75B, LYS77B, LYS94A, PHE106A, PHE38B, PHE80B, SER114A, SER96A, THR102A, THR103A, THR123A, THR127A, THR30B, THR34B, TYR131A, TYR74B, TYR95A, VAL107A, VAL112A, VAL116A, VAL29B, VAL32B, VAL41B, VAL48B, VAL79B, VAL97A
• A-C: LYS75C, LYS94A
• B-C: ALA71C, ALA78C, ARG43B, ARG43C, ASN108B, ASN37C, ASN44C, ASN45B, ASN45C, ASP113B, ASP28C, ASP39C, ASP93B, GLN110B, GLU27C, GLU36C, GLU40C, GLU72C, GLY109B, GLY76C, GLY81C, ILE105B, ILE42C, LEU104B, LEU111B, LEU115B, LEU132C, LEU31C, LEU33C, LEU47C, LEU98B, LYS130B, LYS46B, LYS46C, LYS75C, LYS77C, LYS94B, PHE106B, PHE38C, PHE80C, SER114B, SER96B, THR102B, THR103B, THR127B, THR30C, THR34C, TYR131B, TYR74C, TYR95B, VAL107B, VAL112B, VAL116B, VAL29C, VAL32C, VAL41C, VAL48C, VAL79C, VAL97B