2EIO

design of disulfide-linked thioredoxin dimers and multimers through analysis of crystal contacts

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 53
  • Norm. En. per Res.: -2.0218
• Hub Node: A(1)

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	-23.5271	-5.4018	588.129	559.2	35	6	3	2503	0	5	7
B-C	0.0	-7.455	-99.7008	-107.1557	53	4	0	3881	0	8	3
C-D	-9.4727	-4.4284	660.845	646.9439	36	12	3	2393	0	4	7

Interface residues

• A-B: ALA105A, ALA105B, ALA108A, ALA88A, ALA88B, ASN106A, ASN106B, ASP104A, ASP104B, CYS101A, CYS101B, GLN98A, GLN98B, GLU48A, GLY92B, GLY97A, GLY97B, LEU103A, LEU103B, LEU107A, LEU78B, LEU94B, LEU99B, LYS100A, LYS100B, LYS52A, LYS82A, LYS90B, PHE102A, PHE102B, SER95B, THR77B, THR89B, TYR49A, VAL91B
• B-C: ALA29B, ALA29C, ALA93B, ALA93C, ARG73B, ARG73C, ASN59B, ASN59C, ASN63B, ASN63C, ASP61B, ASP61C, ASP9B, ASP9C, CYS32B, CYS32C, CYS35B, CYS35C, GLN62B, GLN62C, GLU30B, GLU30C, GLY33B, GLY33C, GLY65B, GLY65C, GLY71B, GLY71C, GLY74B, GLY74C, GLY92B, GLY92C, ILE60B, ILE60C, ILE72B, ILE72C, ILE75B, ILE75C, LYS36B, LYS36C, MET37B, PRO34B, PRO34C, PRO64B, PRO64C, PRO68B, PRO68C, PRO76B, PRO76C, TRP28C, TRP31B, TRP31C, VAL91C
• C-D: ALA105C, ALA105D, ALA108D, ALA88C, ALA88D, ASN106C, ASN106D, ASP104C, ASP104D, CYS101C, CYS101D, GLN98C, GLN98D, GLU48D, GLY92C, GLY97C, GLY97D, LEU103C, LEU103D, LEU107D, LEU78C, LEU94C, LEU99C, LEU99D, LYS100C, LYS100D, LYS52D, LYS82D, LYS90C, PHE102C, PHE102D, SER95C, THR77C, THR89C, TYR49D, VAL91C