3P2A

crystal structure of thioredoxin 2 from yersinia pestis

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 65
  • Norm. En. per Res.: -4.553
• 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	-8.6914	-47.3396	-48.9882	-105.0192	37	1	1	1972	2	14	8
A-D	-23.1036	-30.2156	-75.9653	-129.2846	48	2	0	3026	1	10	17
B-C	0.0	13.1874	-77.2733	-64.0859	59	4	2	3599	0	18	11
B-D	-86.6291	0.0	-209.313	-295.9421	65	8	1	7478	8	4	7
C-D	0.0	0.0	-24.7319	-24.7319	12	0	0	690	0	2	1

Interface residues

• A-B: ALA125B, ALA129B, ALA97A, ARG101A, ARG103A, ARG105A, ARG68B, ARG81B, ASN133B, ASP132B, ASP136B, ASP142A, GLU137B, GLU80B, GLY116A, GLY65B, ILE104A, ILE119A, ILE73B, LEU135B, LEU49A, LEU98A, LYS117A, LYS128B, PHE102A, PHE131B, PRO127B, PRO130B, PRO143A, PRO66B, SER69B, SER99A, THR100A, THR77B, TRP134B, TYR113A, VAL126B
• A-D: ALA0A, ALA42D, ALA97D, ARG101D, ARG103D, ARG105D, ARG114A, ARG114D, ARG13A, ASN-1A, ASN115A, ASN115D, ASN2A, ASP142A, ASP46A, ASP46D, ASP51A, ASP52A, GLN50A, GLN50D, GLU16A, GLU43D, GLY116A, GLY116D, ILE104D, ILE119A, LEU45D, LEU48A, LEU49A, LEU49D, LEU53A, LEU98D, LYS117A, LYS117D, LYS47A, LYS47D, PHE102D, PRO143A, PRO54A, PRO96D, SER99D, THR100D, THR3A, THR41D, THR44D, TYR113A, TYR113D, VAL4A
• B-C: ALA10C, ALA23B, ALA42B, ALA42C, ALA61B, ALA61C, ALA7B, ALA7C, ALA94B, ALA94C, ALA97B, ARG27B, ARG27C, ARG68B, ASN39B, ASN39C, ASN91B, ASN91C, CYS25B, CYS25C, CYS28B, CYS28C, CYS5B, CYS5C, CYS8B, CYS8C, GLU43B, GLU43C, GLU93B, GLU93C, GLU95B, GLU95C, GLY22B, GLY22C, GLY29B, GLY29C, HIS30B, HIS30C, LYS24B, LYS24C, LYS47C, PRO62B, PRO62C, PRO96B, PRO96C, SER31B, SER31C, THR41B, THR41C, THR44B, THR44C, THR6B, THR6C, THR92B, THR92C, TRP60B, TRP60C, TRP63B, TRP63C
• B-D: ALA125B, ALA125D, ALA61B, ALA61D, ALA94D, ARG103B, ARG103D, ARG105B, ARG105D, ARG68B, ARG68D, ASN123B, ASN123D, ASN91B, ASN91D, CYS64B, CYS64D, CYS67B, CYS67D, GLU93B, GLU93D, GLY124B, GLY124D, GLY65B, GLY65D, ILE104B, ILE104D, ILE107B, ILE107D, ILE110B, ILE110D, LEU122B, LEU122D, PHE59D, PHE70B, PHE70D, PRO108B, PRO108D, PRO127B, PRO127D, PRO130D, PRO62B, PRO62D, PRO66B, PRO66D, PRO96B, PRO96D, SER106B, SER106D, SER69B, SER69D, SER99B, SER99D, THR100B, THR100D, THR109B, THR109D, THR92B, THR92D, TRP60B, TRP60D, TRP63B, TRP63D, VAL126B, VAL126D
• C-D: ARG27C, ARG68D, ASN12C, CYS25C, CYS28C, CYS64D, GLY26C, GLY29C, HIS30C, LYS24C, PRO62D, TRP63D