1XL3

complex structure of y.pestis virulence factors yopn and tyea

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 72
  • Norm. En. per Res.: -3.7587
• 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-C	0.0	12.792	-276.728	-263.936	76	0	11	10140	0	3	7
A-D	-26.6664	-17.7958	-72.7383	-117.2005	33	4	2	2695	2	5	4
B-C	0.0	0.0	-24.9294	-24.9294	16	0	0	780	0	1	2
B-D	0.0	12.7631	-283.389	-270.6259	72	6	12	10455	0	4	5
C-D	0.0	-31.3457	-69.1456	-100.4913	47	4	0	2652	2	23	22

Interface residues

• A-C: ALA14C, ALA214A, ALA2C, ALA30C, ALA32C, ARG19C, ARG43C, ARG50C, ASP11C, ASP17C, ASP261A, ASP273A, ASP47C, ASP4C, GLN220A, GLN263A, GLN274A, GLN280A, GLN46C, GLU267A, GLU39C, GLU7C, GLY10C, GLY211A, GLY269A, GLY277A, GLY58C, HIS28C, ILE12C, ILE212A, ILE215A, ILE228A, ILE257A, ILE40C, LEU15C, LEU265A, LEU29C, LEU35C, LEU48C, LEU54C, LEU57C, LEU5C, LEU69C, MET51C, MET9C, PHE268A, PHE278A, PHE281A, PHE282A, PHE33C, PHE44C, PHE52C, PHE55C, PHE60C, PHE8C, PRO224A, PRO36C, PRO56C, SER217A, SER270A, SER272A, SER283A, SER34C, SER61C, SER6C, TRP216A, TRP279A, TYR213A, TYR3C, TYR45C, VAL13C, VAL16C, VAL271A, VAL275A, VAL42C, VAL59C
• A-D: ALA214A, ALA21D, ALA76D, ARG19D, ASN68D, ASN75D, ASP25D, ASP261A, ASP78D, GLN210A, GLN65D, GLN71D, GLU253A, GLU27D, GLU64D, GLY208A, GLY211A, GLY22D, GLY249A, GLY251A, HIS24D, HIS28D, ILE212A, ILE215A, ILE23D, ILE257A, MET72D, MET79D, SER217A, SER250A, TRP20D, TYR209A, TYR213A
• B-C: ALA214B, ALA21C, ARG19C, ASN68C, GLN210B, GLN65C, GLU64C, GLY211B, GLY22C, ILE212B, ILE215B, MET72C, SER217B, TRP20C, TYR209B, TYR213B
• B-D: ALA14D, ALA214B, ALA2D, ALA30D, ALA32D, ARG43D, ARG50D, ASP11D, ASP17D, ASP261B, ASP273B, ASP47D, ASP4D, GLN210B, GLN220B, GLN263B, GLN274B, GLN280B, GLN46D, GLU267B, GLU39D, GLU7D, GLY10D, GLY211B, GLY269B, GLY277B, GLY58D, ILE12D, ILE212B, ILE215B, ILE228B, ILE40D, LEU15D, LEU265B, LEU29D, LEU35D, LEU48D, LEU54D, LEU57D, LEU5D, MET51D, MET9D, PHE268B, PHE278B, PHE281B, PHE282B, PHE33D, PHE44D, PHE52D, PHE55D, PHE60D, PHE8D, PRO36D, PRO56D, SER217B, SER260B, SER270B, SER272B, SER283B, SER34D, SER6D, TRP216B, TRP279B, TYR213B, TYR3D, TYR45D, VAL13D, VAL16D, VAL271B, VAL275B, VAL42D, VAL59D
• C-D: ALA14C, ALA14D, ALA21C, ALA21D, ALA2D, ALA30D, ALA32D, ARG19C, ARG19D, ASN31C, ASN31D, ASP11C, ASP11D, ASP17C, ASP17D, ASP25C, ASP25D, ASP4D, GLN65C, GLU27C, GLU27D, GLU7D, GLY10C, GLY10D, GLY22C, GLY22D, HIS24C, HIS24D, HIS28C, HIS28D, ILE12C, ILE23C, ILE23D, ILE26C, LEU15C, LEU15D, LEU29C, LEU29D, MET72C, MET79C, PHE33D, TRP20C, TRP20D, TYR3D, VAL13C, VAL13D, VAL16C