2IFQ

crystal structure of s-nitroso thioredoxin

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 35
  • Norm. En. per Res.: -1.8542
• 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	-37.9525	41.2544	716.574	719.8759	61	12	0	6173	0	10	11
B-C	0.0	10.532	-75.4276	-64.8956	35	0	0	2953	2	16	17

Interface residues

• A-B: ALA29A, ALA29B, ALA66A, ALA66B, ALA92A, ALA92B, ASP58A, ASP58B, ASP60A, ASP60B, ASP61A, ASP61B, ASP64A, ASP64B, CYS32A, CYS32B, CYS35B, CYS62A, CYS62B, CYS73A, CYS73B, GLN63A, GLN63B, GLU68A, GLU68B, GLU70A, GLU70B, GLY33A, GLY33B, GLY91A, GLY91B, LYS36A, LYS36B, LYS72A, LYS72B, MET37B, MET74A, MET74B, PHE27A, PHE27B, PRO34A, PRO34B, PRO75A, PRO75B, SER28A, SER28B, SER67A, SER67B, SER90A, SER90B, THR30A, THR30B, THR76A, TRP31A, TRP31B, VAL59A, VAL59B, VAL65A, VAL65B, VAL71A, VAL71B
• B-C: GLU47B, GLU47C, GLU95B, GLU95C, GLU98B, GLU98C, HIS43B, HIS43C, LEU45B, LEU45C, LYS39B, LYS39C, LYS48B, LYS48C, LYS94B, LYS94C, MET1B, MET1C, MET37C, PHE41B, PHE41C, PHE42B, PHE42C, PRO40B, PRO40C, SER44B, SER44C, SER46B, SER46C, SER50B, SER50C, TYR49B, TYR49C, VAL2B, VAL2C