3FW2

c-terminal domain of putative thiol-disulfide oxidoreductase from bacteroides thetaiotaomicron.

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 71
  • Norm. En. per Res.: -3.3837
• Hub Node: A(3)

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	-33.4423	-6.5441	-200.256	-240.2424	71	5	8	7834	0	12	6
A-C	0.0	0.0	-0.8283	-0.8283	8	0	0	135	0	4	4
A-D	-21.1305	-17.9629	-54.0755	-93.1689	34	2	0	2279	2	34	33
B-C	-24.1023	-14.9702	-56.4269	-95.4994	32	3	0	2330	2	34	35
B-D	0.0	0.0	-0.9713	-0.9713	6	0	1	160	0	0	1
C-D	-18.1119	-5.9728	-195.14	-219.2247	73	5	8	8198	0	12	6

Interface residues

• A-B: ALA213B, ALA252A, ALA252B, ALA319A, ALA319B, ALA329A, ALA329B, ASN255A, ASN255B, ASN315A, ASN315B, ASP256A, ASP256B, ASP288A, ASP288B, ASP290A, ASP290B, GLN260A, GLN260B, GLN293A, GLN293B, GLN321A, GLU317A, GLY312A, GLY312B, GLY313A, GLY313B, ILE258A, ILE258B, ILE324A, ILE324B, ILE327A, ILE327B, LEU287A, LEU287B, LEU314A, LEU314B, LYS261A, LYS261B, LYS320A, LYS320B, LYS326A, LYS326B, LYS342B, PHE250A, PHE250B, PHE311A, PHE311B, PRO328A, PRO328B, SER215B, SER253A, SER253B, SER257A, SER257B, SER259A, SER259B, SER316A, SER316B, SER323A, SER323B, TRP251B, TRP254A, TRP254B, TYR322A, TYR322B, TYR325A, TYR325B, VAL289A, VAL289B, VAL318A
• A-C: ASP290A, ASP290C, ASP296A, ASP296C, GLN292A, GLN292C, GLN293A, GLN293C
• A-D: ALA297A, ALA341D, ARG268A, ARG300A, ARG345D, ASN264A, ASN343D, ASN355D, ASP256A, ASP296A, ASP301A, ASP304A, GLN262D, GLU266D, GLU347D, GLU348D, GLU354D, GLU358D, GLY346D, ILE217D, ILE298A, LEU303A, LEU344D, LEU349D, LYS261A, LYS272A, LYS275A, LYS299A, LYS342D, LYS350D, LYS351D, LYS352D, SER265A, THR302A
• B-C: ALA297C, ALA341B, ARG268C, ARG300C, ARG345B, ASN264C, ASN343B, ASN355B, ASP256C, ASP296C, ASP301C, ASP304C, GLN262B, GLU266B, GLU347B, GLU348B, GLU354B, GLY346B, ILE298C, LEU303C, LEU344B, LEU349B, LYS261C, LYS272C, LYS299C, LYS342B, LYS350B, LYS351B, LYS352B, SER265C, THR302C, TRP305C
• B-D: GLN262B, GLN262D, ILE258B, ILE258D, LYS261D, SER259D
• C-D: ALA252C, ALA252D, ALA319C, ALA319D, ALA329C, ALA329D, ARG300D, ASN255C, ASN255D, ASN315C, ASN315D, ASP256C, ASP256D, ASP288C, ASP288D, ASP290C, ASP290D, GLN260C, GLN260D, GLN293C, GLN293D, GLN321C, GLN321D, GLU317C, GLU317D, GLY312C, GLY312D, GLY313C, GLY313D, ILE258C, ILE258D, ILE324C, ILE324D, ILE327C, ILE327D, LEU287C, LEU287D, LEU314C, LEU314D, LYS261C, LYS261D, LYS320C, LYS320D, LYS326C, LYS326D, PHE250C, PHE250D, PHE311C, PHE311D, PRO328C, PRO328D, SER253C, SER253D, SER257C, SER257D, SER259C, SER259D, SER316C, SER316D, SER323C, SER323D, TRP251C, TRP251D, TRP254C, TRP254D, TYR322C, TYR322D, TYR325C, TYR325D, VAL289C, VAL289D, VAL318C, VAL318D