3H16

crystal structure of a bacteria tir domain, pdtir from paracoccus denitrificans

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 58
  • Norm. En. per Res.: -5.175
• 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	-47.1996	40.1202	-186.556	-193.6354	72	13	4	8088	0	29	22
A-C	-63.0896	-23.7175	-155.071	-241.8782	56	11	0	6303	6	28	37
A-D	0.0	0.0	-5.3379	-5.3379	15	0	0	359	0	8	8
B-C	-12.2816	-1.4498	-26.3685	-40.0999	38	2	0	1452	2	18	15
B-D	-99.2632	-30.9092	-169.977	-300.1494	58	14	0	6501	7	27	37

Interface residues

• A-B: ALA267A, ALA274B, ALA278B, ALA291B, ALA295B, ARG251B, ARG253B, ARG298B, ASN280B, ASP241A, ASP264A, ASP275B, ASP292B, ASP299B, GLN237A, GLN245A, GLN245B, GLU234A, GLU239A, GLU247B, GLU265A, GLU288B, GLY242A, GLY250B, HIS229A, ILE254B, ILE257B, ILE289B, ILE296B, ILE297B, LEU240A, LEU246B, LEU255B, LEU277B, LEU293B, LYS232A, LYS233A, LYS238A, LYS263A, LYS263B, LYS276B, LYS284B, MET273A, MET273B, MET294B, PHE221B, PHE230A, PHE231A, PHE244B, PHE269A, PHE279B, PRO236A, PRO256B, PRO271A, SER227A, SER248B, SER249B, SER252B, SER262A, SER268A, SER270A, SER282B, THR228A, THR272A, THR272B, THR281B, THR283B, TRP235A, TRP258A, VAL224B, VAL261A, VAL266A
• A-C: ALA183A, ALA267A, ALA267C, ALA274C, ALA278C, ASN280A, ASN280C, ASP179A, ASP179C, ASP264A, ASP264C, ASP275C, ASP287A, ASP287C, GLU265A, GLU265C, GLU288A, GLU288C, HIS259A, HIS259C, ILE289A, ILE289C, LEU277C, LYS232A, LYS232C, LYS260A, LYS260C, LYS263A, LYS263C, LYS276A, LYS284A, LYS284C, PHE180A, PHE180C, PHE269C, PHE279A, SER262A, SER262C, SER282A, SER282C, SER285A, SER285C, THR228A, THR228C, THR281A, THR281C, THR283A, THR283C, TRP258A, TRP258C, VAL261A, VAL261C, VAL266A, VAL266C, VAL286A, VAL286C
• A-D: ARG203A, ASN280D, ASP206A, GLU175A, GLU234A, GLU288D, GLY205A, HIS229A, LEU277D, LYS232A, LYS284D, PRO204A, SER282D, THR283D, TRP174A
• B-C: ALA178C, ALA183C, ALA190C, ALA267B, ALA274B, ARG209B, ASP179C, ASP241B, ASP275B, ASP287C, GLN237B, GLN245B, GLU182C, GLU239B, GLU247B, GLU288C, GLY242B, GLY250B, HIS186C, HIS259C, LEU184C, LEU240B, LEU246B, LYS177C, LYS238B, LYS260C, LYS284C, MET273B, PHE180C, PHE244B, PRO236B, PRO271B, SER248B, SER270B, SER285C, THR187C, THR272B, VAL286C
• B-D: ALA267B, ALA267D, ALA274B, ALA274D, ALA278B, ALA278D, ASN280B, ASN280D, ASP264B, ASP264D, ASP287B, ASP287D, GLU265B, GLU265D, GLU288B, GLU288D, HIS229B, HIS229D, HIS259B, HIS259D, ILE289B, ILE289D, LEU277D, LYS232B, LYS232D, LYS260B, LYS260D, LYS263B, LYS263D, LYS284B, LYS284D, PHE180B, PHE180D, PHE231B, PHE231D, PHE279D, SER227B, SER227D, SER262B, SER262D, SER282B, SER282D, SER285B, SER285D, THR228B, THR228D, THR281B, THR281D, THR283B, THR283D, TRP258B, TRP258D, VAL261B, VAL261D, VAL266B, VAL266D, VAL286B, VAL286D