1VRS

crystal structure of the disulfide-linked complex between the n- terminal and c-terminal domain of the electron transfer catalyst dsbd

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 17
  • Norm. En. per Res.: -2.7436
• Hub Node: A(5)

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-D	-43.7321	-12.7239	454.338	397.882	96	16	5	8915	3	12	13
A-B	0.0	0.0	-0.0065	-0.0065	4	0	0	5	0	3	2
A-E	0.0	0.0	-0.0158	-0.0158	3	0	0	14	0	0	0
A-C	0.0	24.3434	-70.9839	-46.6405	17	2	0	1878	0	13	11
A-F	0.0	0.0	-1.1294	-1.1294	4	0	0	86	0	0	0
D-C	-10.6683	2.6365	-18.7621	-26.7939	22	2	0	953	0	9	12
D-F	0.0	-2.9581	-0.2306	-3.1887	5	0	0	83	0	4	5
B-E	-52.7638	37.6498	435.375	420.261	86	16	4	8915	0	11	16
C-F	-50.0992	-7.8075	561.829	503.9223	69	16	4	6538	2	8	10

Interface residues

• A-D: ALA104A, ALA106A, ALA14A, ALA17A, ALA458D, ALA463D, ALA493D, ALA526D, ALA539D, ALA5A, ARG527D, ARG542D, ARG544D, ASN494D, ASP105A, ASP15A, ASP459D, ASP498D, ASP4A, ASP517D, ASP543D, ASP68A, CYS109A, CYS461D, GLN101A, GLN10A, GLN16A, GLN45A, GLN521D, GLN525D, GLN545D, GLU113A, GLU466D, GLU468D, GLU522D, GLU67A, GLU69A, GLY102A, GLY107A, GLY1A, GLY509D, GLY530D, GLY72A, HIS523D, HIS540D, HIS66A, ILE513D, LEU2A, LEU456D, LEU502D, LEU508D, LEU510D, LEU514D, LEU541D, LYS44A, LYS465D, LYS469D, MET453D, MET532D, PHE108A, PHE11A, PHE3A, PHE467D, PHE515D, PHE516D, PHE531D, PHE537D, PHE70A, PRO111A, PRO112A, PRO13A, PRO451D, PRO511D, PRO524D, SER103A, SER464D, SER74A, THR492D, THR512D, THR529D, THR99A, TRP460D, TYR110A, TYR39A, TYR40A, TYR42A, TYR457D, TYR470D, TYR71A, VAL12A, VAL452D, VAL462D, VAL491D, VAL499D, VAL507D, VAL528D
• A-B: ASP37A, HIS52B, LYS36A, LYS54B
• A-E: ALA496E, GLN497E, GLY1A
• A-C: ASP68A, ASP68C, GLU67A, GLU67C, GLU69A, GLU69C, GLY72A, GLY72C, HIS66C, LYS73A, LYS73C, PHE70A, PHE70C, SER74C, TRP65C, TYR71A, TYR71C
• A-F: LYS44A, LYS469F, TYR470F, TYR71A
• D-C: ASP459D, ASP68C, GLU466D, GLU67C, GLU69C, GLU75C, GLY72C, HIS428D, HIS66C, LYS44C, LYS465D, LYS469D, LYS73C, PHE70C, SER473D, SER74C, TRP460D, TRP65C, TYR457D, TYR470D, TYR71C, VAL462D
• D-F: ASP459D, LYS465D, LYS469F, THR492D, TRP460D
• B-E: ALA104B, ALA106B, ALA14B, ALA458E, ALA463E, ALA493E, ALA526E, ALA539E, ALA5B, ARG527E, ARG8B, ASN494E, ASP105B, ASP15B, ASP459E, ASP4B, ASP533E, ASP543E, ASP68B, CYS109B, CYS461E, GLN101B, GLN10B, GLN45B, GLN525E, GLU113B, GLU466E, GLU468E, GLU535E, GLU67B, GLU69B, GLY102B, GLY107B, GLY1B, GLY509E, GLY530E, GLY72B, GLY7B, HIS523E, HIS540E, HIS66B, ILE513E, LEU502E, LEU508E, LEU510E, LEU541E, LYS44B, LYS465E, LYS469E, MET532E, PHE108B, PHE11B, PHE3B, PHE467E, PHE515E, PHE531E, PHE537E, PHE70B, PRO111B, PRO112B, PRO13B, PRO511E, PRO524E, PRO6B, SER103B, SER464E, SER74B, SER9B, THR492E, THR512E, THR529E, THR536E, THR99B, TRP460E, TYR110B, TYR40B, TYR42B, TYR457E, TYR470E, TYR71B, VAL12B, VAL462E, VAL491E, VAL499E, VAL507E, VAL528E
• C-F: ALA104C, ALA106C, ALA14C, ALA17C, ALA458F, ALA463F, ALA493F, ASN494F, ASP105C, ASP15C, ASP459F, ASP498F, ASP68C, CYS109C, CYS461F, GLN101C, GLN10C, GLN16C, GLN45C, GLU113C, GLU466F, GLU468F, GLU67C, GLU69C, GLY102C, GLY107C, GLY509F, GLY530F, GLY72C, HIS66C, ILE513F, LEU456F, LEU502F, LEU508F, LEU510F, LYS465F, LYS469F, MET532F, PHE108C, PHE11C, PHE467F, PHE531F, PHE70C, PRO111C, PRO112C, PRO13C, PRO511F, SER103C, SER464F, SER74C, SER9C, THR114C, THR492F, THR512F, THR529F, TRP460F, TYR110C, TYR39C, TYR40C, TYR42C, TYR457F, TYR470F, TYR71C, VAL12C, VAL462F, VAL491F, VAL499F, VAL507F, VAL528F