3TOR

crystal structure of escherichia coli nrfa with europium bound

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 139
  • Norm. En. per Res.: -3.1375
• 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	-4.227	0.3031	-5.3536	-9.2775	21	0	0	507	0	9	13
A-C	0.0	19.2485	-31.1032	-11.8547	38	1	0	1617	0	28	23
A-D	-13.89	-103.9413	-318.282	-436.1133	139	13	6	15131	5	96	97
B-C	-13.2787	-108.4075	-307.788	-429.4743	138	10	7	14946	6	95	97

Interface residues

• A-B: ALA293A, ALA311A, ALA70B, ASN309A, ASP308A, ASP433B, ASP67B, GLN312A, GLU438B, GLU61A, GLU64B, LEU54A, LYS302A, LYS322A, LYS437B, LYS439B, LYS452B, PHE307A, PHE310A, SER435B, THR436B
• A-C: ALA191C, ALA246C, ALA453A, ARG65A, ASN237C, ASP219C, ASP230C, ASP231C, ASP243C, ASP457A, GLN240C, GLN456A, GLN465A, GLU190C, GLU438A, GLU449A, GLY193C, GLY220C, GLY232C, ILE192C, ILE245C, ILE459A, LEU105A, LYS198C, LYS226C, LYS234C, LYS244C, LYS437A, LYS452A, LYS455A, LYS460A, MET233C, PRO195C, PRO464A, THR461A, TRP229C, TYR217C, TYR241C
• A-D: ALA272A, ALA272D, ALA324A, ALA324D, ALA350A, ALA350D, ALA394A, ALA394D, ALA405A, ALA405D, ALA409A, ALA409D, ALA410A, ALA410D, ALA412A, ALA412D, ALA417A, ALA417D, ALA421A, ALA421D, ARG332A, ARG332D, ARG380A, ARG380D, ARG400A, ARG400D, ARG413A, ARG413D, ARG418A, ARG418D, ASN278A, ASN278D, ASP338A, ASP338D, ASP345A, ASP345D, ASP407A, ASP407D, ASP411A, ASP411D, GLN320A, GLN320D, GLN334A, GLN334D, GLN346A, GLN346D, GLU236A, GLU236D, GLU331A, GLU331D, GLU353A, GLU353D, GLU396A, GLU396D, GLU397A, GLU397D, GLU428A, GLU428D, GLY273A, GLY273D, GLY398A, GLY398D, GLY403A, GLY403D, GLY424A, GLY424D, HIS275A, HIS275D, HIS318A, HIS318D, HIS349A, HIS349D, HIS391A, HIS427A, HIS427D, ILE274A, ILE274D, ILE336A, ILE336D, ILE341A, ILE341D, ILE425A, ILE425D, ILE429A, ILE429D, LEU325A, LEU325D, LEU339A, LEU339D, LEU399A, LEU399D, LEU402A, LEU402D, LEU416A, LEU416D, LEU419A, LEU419D, LEU420A, LEU420D, LYS234A, LYS234D, LYS277A, LYS277D, LYS327A, LYS327D, LYS340A, LYS340D, LYS342A, LYS342D, LYS408A, LYS408D, LYS415A, LYS415D, LYS423A, LYS423D, MET401A, MET401D, MET406A, MET406D, PRO395A, PRO395D, SER335A, SER335D, THR319A, THR319D, THR404A, THR404D, THR414A, THR414D, THR422A, THR422D, THR426A, THR426D, VAL328A, VAL328D, VAL329A, VAL329D, VAL343A, VAL343D
• B-C: ALA272B, ALA272C, ALA324B, ALA324C, ALA350B, ALA350C, ALA394B, ALA394C, ALA405B, ALA405C, ALA409B, ALA409C, ALA410B, ALA410C, ALA412B, ALA412C, ALA417B, ALA417C, ALA421B, ALA421C, ARG332B, ARG332C, ARG380B, ARG380C, ARG400B, ARG400C, ARG413B, ARG413C, ARG418B, ARG418C, ASN278B, ASN278C, ASP338B, ASP338C, ASP345B, ASP345C, ASP407B, ASP407C, ASP411B, ASP411C, GLN320B, GLN320C, GLN334B, GLN334C, GLN346B, GLN346C, GLU236B, GLU236C, GLU331B, GLU331C, GLU353B, GLU353C, GLU396B, GLU396C, GLU397B, GLU397C, GLU428B, GLU428C, GLY273B, GLY273C, GLY398B, GLY398C, GLY403B, GLY403C, GLY424B, GLY424C, HIS275B, HIS275C, HIS318B, HIS318C, HIS349B, HIS349C, HIS427B, HIS427C, ILE274B, ILE274C, ILE336B, ILE336C, ILE341B, ILE341C, ILE425B, ILE425C, ILE429B, ILE429C, LEU325B, LEU325C, LEU339B, LEU339C, LEU399B, LEU399C, LEU402B, LEU402C, LEU416B, LEU416C, LEU419B, LEU419C, LEU420B, LEU420C, LYS234B, LYS234C, LYS277B, LYS277C, LYS327B, LYS327C, LYS340B, LYS340C, LYS342B, LYS342C, LYS408B, LYS408C, LYS415B, LYS415C, LYS423B, LYS423C, MET401B, MET401C, MET406B, MET406C, PRO395B, PRO395C, SER335B, SER335C, THR319B, THR319C, THR404B, THR404C, THR414B, THR414C, THR422B, THR422C, THR426B, THR426C, VAL328B, VAL328C, VAL329B, VAL329C, VAL343B, VAL343C