3BCQ

crystal structure of oxy-hemoglobin from brycon cephalus

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 60
  • Norm. En. per Res.: -3.9793
• 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	-2.8922	5.1158	-260.223	-257.9994	93	7	7	10402	3	16	11
A-C	-33.6994	-77.8101	-127.246	-238.7555	60	5	0	4353	4	18	19
A-D	-4.8214	13.4802	-138.583	-129.9242	54	5	0	5111	0	15	14
B-C	-17.2458	13.8133	-134.692	-138.1246	56	6	0	5207	0	12	14
B-D	-5.1914	3.2066	-46.585	-48.5699	43	1	0	2224	0	15	23
C-D	-15.5445	7.2348	-263.284	-271.5936	95	11	7	10480	2	16	11

Interface residues

• A-B: ALA107B, ALA111A, ALA115B, ALA122B, ALA130B, ALA136B, ALA26A, ALA27B, ALA28A, ALA30A, ALA52B, ARG104B, ARG30B, ARG31A, ASN105A, ASN116A, ASN55B, ASP101B, ASP108B, ASP117A, ASP126B, ASP127A, ASP27A, CYS109B, CYS113B, GLN112A, GLN113A, GLN128B, GLN132B, GLN26B, GLN38A, GLU121A, GLU129B, GLY119B, GLY52A, HIS104A, HIS123A, ILE101A, ILE110B, ILE33B, ILE54B, LEU105B, LEU106A, LEU107A, LEU110A, LEU135B, LEU31B, LEU32B, LEU33A, LYS100A, LYS117B, LYS128A, LYS133B, LYS20A, MET116B, MET126A, MET32A, PHE114A, PHE118A, PHE118B, PHE123B, PHE134B, PRO115A, PRO120A, PRO120B, PRO125B, PRO36B, PRO37A, PRO51A, PRO51B, SER121B, SER125A, SER131A, SER29B, SER50A, SER50B, THR111B, THR119A, THR124B, THR34A, TRP131B, TRP37B, TYR35B, TYR36A, VAL108A, VAL109A, VAL112B, VAL114B, VAL122A, VAL124A, VAL127B, VAL34B, VAL35A
• A-C: ARG142A, ARG142C, ASP127A, ASP127C, ASP6A, ASP6C, GLU121A, GLU139A, GLU139C, HIS123A, HIS123C, LEU107A, LEU130A, LEU130C, LEU132A, LEU132C, LEU133A, LEU133C, LEU137C, LEU2A, LEU2C, LEU77A, LEU77C, LYS100A, LYS100C, LYS128A, LYS128C, LYS140A, LYS140C, LYS5A, LYS5C, MET126A, MET126C, PHE129A, PHE129C, PRO120A, PRO120C, SER125A, SER125C, SER131A, SER131C, SER134A, SER134C, SER136A, SER136C, SER138A, SER138C, SER1A, SER1C, SER3A, SER3C, SER85A, THR78A, THR78C, TRP135A, TRP135C, TYR141A, TYR141C, VAL124A, VAL124C
• A-D: ALA43D, ALA89A, ALA97A, ARG104D, ARG142A, ARG144D, ARG40D, ARG93A, ASN102D, ASN98A, ASP101D, ASP95A, ASP99D, GLN38A, GLN39D, GLN91A, GLU94D, HIS41D, HIS88A, HIS97D, ILE101A, ILE33D, ILE54D, LEU105D, LEU31D, LEU32D, LEU48D, LEU92A, LEU96D, LYS140A, LYS40A, PHE42D, PHE43A, PHE90A, PHE99A, PRO100D, PRO36D, PRO37A, PRO96A, SER138A, SER44A, SER49D, SER93D, THR38D, THR39A, THR41A, TRP37D, TYR141A, TYR35D, TYR36A, TYR42A, VAL34D, VAL94A, VAL98D
• B-C: ALA43B, ALA89C, ALA97C, ARG142C, ARG144B, ARG40B, ARG93C, ASN102B, ASN98C, ASP101B, ASP95C, ASP99B, GLN38C, GLN39B, GLN91C, GLU94B, HIS41B, HIS45C, HIS88C, HIS92B, HIS97B, ILE101C, ILE33B, ILE54B, LEU105B, LEU32B, LEU48B, LEU92C, LEU96B, LYS100C, LYS140C, LYS40C, LYS95B, PHE43C, PHE90C, PHE99C, PRO100B, PRO36B, PRO37C, PRO96C, SER138C, SER44C, SER49B, SER50B, SER93B, THR38B, THR39C, THR41C, TRP37B, TYR141C, TYR35B, TYR36C, TYR42C, VAL34B, VAL94C, VAL98B
• B-D: ALA136B, ALA136D, ALA140B, ALA140D, ALA141B, ALA141D, ARG104B, ARG144B, ARG144D, ASN80B, ASN80D, ASP79B, ASP79D, ASP99D, GLN132B, GLN132D, GLU2B, GLU2D, HIS146B, HIS146D, ILE81B, ILE81D, LEU135B, LYS133B, LYS133D, LYS82B, LYS82D, MET78D, PHE134D, PRO100D, SER143B, TRP3B, TRP3D, TYR145B, TYR145D, VAL137B, VAL137D, VAL138B, VAL138D, VAL139B, VAL139D, VAL1B, VAL1D
• C-D: ALA107D, ALA111C, ALA115D, ALA122D, ALA130D, ALA136D, ALA26C, ALA27D, ALA28C, ALA30C, ALA52D, ARG104D, ARG30D, ARG31C, ASN105C, ASN116C, ASN55D, ASP101D, ASP108D, ASP117C, ASP126D, ASP127C, ASP27C, CYS109D, CYS113D, GLN112C, GLN113C, GLN128D, GLN132D, GLN26D, GLU121C, GLU129D, GLY119D, GLY52C, HIS104C, HIS123C, ILE101C, ILE110D, ILE33D, ILE54D, LEU105D, LEU106C, LEU107C, LEU110C, LEU135D, LEU31D, LEU32D, LEU33C, LYS100C, LYS117D, LYS128C, LYS133D, LYS20C, LYS40C, LYS5C, MET116D, MET126C, MET32C, PHE114C, PHE118C, PHE118D, PHE123D, PRO115C, PRO120C, PRO120D, PRO125D, PRO25D, PRO36D, PRO37C, PRO51C, PRO51D, SER103C, SER121D, SER125C, SER131C, SER29D, SER50C, SER50D, THR111D, THR119C, THR124D, THR34C, TRP131D, TRP37D, TYR35D, TYR36C, VAL108C, VAL109C, VAL112D, VAL114D, VAL122C, VAL124C, VAL127D, VAL34D, VAL35C