1V4U

crystal structure of bluefin tuna carbonmonoxy-hemoglobin

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 57
  • Norm. En. per Res.: -3.8473
• 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	-3.8385	7.393	-244.587	-241.0325	93	9	10	9897	2	22	18
A-C	-41.4686	-75.9138	-101.911	-219.2935	57	8	0	3747	4	14	18
A-D	-3.0352	18.1175	-133.372	-118.2896	55	6	0	4985	0	12	13
B-C	-14.2009	20.1388	-123.088	-117.1501	52	8	0	5217	0	12	14
B-D	0.0	0.0	-3.5627	-3.5627	8	0	0	136	0	6	6
C-D	-4.4323	8.811	-234.637	-230.2583	93	12	10	9715	2	21	18

Interface residues

• A-B: ALA112A, ALA115B, ALA116B, ALA121B, ALA123A, ALA129B, ALA132A, ALA135B, ALA27A, ALA27B, ALA29A, ALA29B, ALA35A, ARG104B, ARG30B, ARG32A, ASN117B, ASP101B, ASP108B, ASP120B, ASP122A, ASP128A, ASP28A, ASP52B, CYS106A, CYS109B, CYS128B, CYS31B, GLN127B, GLN131B, GLU125B, GLY107B, GLY119B, GLY31A, GLY53A, HIS105A, HIS124A, ILE102A, ILE105B, ILE107A, ILE114B, ILE33B, ILE54B, LEU108A, LEU110B, LEU118B, LEU127A, LEU131A, LEU134B, LEU32B, LEU34A, LYS101A, LYS113A, LYS117A, LYS129A, LYS132B, LYS26B, LYS55B, LYS6A, MET114A, MET33A, PHE115A, PHE119A, PHE122B, PHE130B, PRO116A, PRO121A, PRO36B, PRO38A, PRO51B, PRO52A, SER104A, SER126A, SER51A, SER98A, THR111B, THR120A, THR123B, THR126B, THR50B, TRP37B, TYR35B, TYR37A, VAL109A, VAL110A, VAL111A, VAL112B, VAL113B, VAL124B, VAL125A, VAL34B, VAL36A, VAL57A
• A-C: ALA132A, ALA132C, ALA135A, ALA135C, ALA137A, ALA137C, ALA139A, ALA139C, ARG141A, ARG141C, ARG143A, ARG143C, ASP128A, ASP128C, ASP77A, ASP7A, ASP7C, GLU140A, GLU140C, HIS124A, HIS124C, LEU108A, LEU108C, LEU127A, LEU127C, LEU131A, LEU131C, LEU136A, LEU136C, LEU3A, LEU3C, LYS101A, LYS101C, LYS129A, LYS129C, LYS6A, LYS6C, PHE130A, PHE130C, SER126A, SER126C, SER133A, SER133C, SER4A, SER4C, THR1A, THR1C, THR2A, THR2C, THR79A, THR79C, THR80A, THR80C, TYR142A, TYR142C, VAL125A, VAL125C
• A-D: ALA139A, ALA90A, ARG104D, ARG141A, ARG143A, ARG40D, ARG94A, ASN102D, ASN99A, ASP101D, ASP96A, ASP99D, CYS31D, GLN39A, GLN39D, HIS46A, HIS89A, HIS97D, ILE102A, ILE105D, ILE33D, ILE54D, LEU32D, LEU48D, LEU96D, LYS101A, LYS41A, LYS92A, LYS95D, MET93A, PHE100A, PHE42D, PHE44A, PHE91A, PRO100D, PRO36D, PRO38A, PRO51D, PRO97A, SER45A, SER49D, SER93D, SER98A, THR38D, THR40A, THR42A, TRP37D, TYR142A, TYR35D, TYR37A, TYR41D, TYR43A, VAL34D, VAL95A, VAL98D
• B-C: ALA139C, ALA90C, ARG104B, ARG141C, ARG143C, ARG40B, ARG94C, ASN102B, ASN99C, ASP101B, ASP94B, ASP96C, ASP99B, GLN39B, GLN39C, HIS46C, HIS89C, HIS97B, ILE102C, ILE105B, ILE33B, ILE54B, LEU32B, LEU48B, LEU96B, LYS101C, LYS41C, LYS92C, LYS95B, MET93C, PHE42B, PHE44C, PHE91C, PRO100B, PRO36B, PRO38C, PRO97C, SER45C, SER49B, SER93B, SER98C, THR38B, THR40C, THR42C, TRP37B, TYR142C, TYR35B, TYR41B, TYR43C, VAL34B, VAL95C, VAL98B
• B-D: ASN82B, ASN82D, ASP101B, ASP101D, GLY142B, GLY142D, PHE139B, PHE139D
• C-D: ALA112C, ALA115D, ALA116D, ALA121D, ALA123C, ALA129D, ALA132C, ALA135D, ALA27C, ALA27D, ALA29C, ALA29D, ALA35C, ARG104D, ARG30D, ARG32C, ASN117D, ASP101D, ASP108D, ASP120D, ASP122C, ASP128C, ASP28C, ASP52D, CYS106C, CYS109D, CYS128D, CYS31D, GLN127D, GLN131D, GLN39C, GLU118C, GLU125D, GLY107D, GLY119D, GLY31C, GLY53C, HIS105C, HIS124C, ILE102C, ILE105D, ILE107C, ILE114D, ILE33D, ILE54D, LEU108C, LEU110D, LEU118D, LEU127C, LEU134D, LEU32D, LEU34C, LYS101C, LYS113C, LYS117C, LYS129C, LYS132D, LYS26D, LYS41C, LYS55D, LYS6C, MET114C, MET33C, PHE115C, PHE119C, PHE122D, PHE130D, PRO116C, PRO121C, PRO36D, PRO38C, PRO51D, PRO52C, SER126C, SER51C, SER98C, THR111D, THR120C, THR123D, THR126D, TRP37D, TYR35D, TYR37C, VAL109C, VAL110C, VAL111C, VAL112D, VAL113D, VAL124D, VAL125C, VAL34D, VAL36C, VAL57C