3MJP

crystal structure determination of japanese quail (coturnix coturnix japonica) hemoglobin at 2.76 angstrom resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 98
  • Norm. En. per Res.: -2.5574
• 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	-28.524	6.5931	-212.804	-234.7349	97	27	12	10394	0	16	20
A-C	-10.2221	-3.4614	-54.8609	-68.5444	42	6	3	2501	0	12	11
A-D	-5.0758	17.1195	-111.169	-99.1253	53	16	1	4614	0	12	11
B-C	0.0	13.9747	-100.1	-86.1253	55	10	1	4373	0	9	10
B-D	-8.9267	19.6115	-36.36	-25.6752	42	2	0	1745	0	18	36
C-D	-23.5144	14.2973	-241.41	-250.627	98	12	11	10584	0	18	18

Interface residues

• A-B: ALA110A, ALA115A, ALA115B, ALA116A, ALA116B, ALA123A, ALA128B, ALA129B, ALA27B, ALA28A, ALA29B, ALA53B, ALA5A, ARG104B, ARG135B, ARG30B, ARG31A, ASN97A, ASP108B, ASP121B, ASP126A, ASP30A, CYS104A, CYS126B, CYS130A, GLN103A, GLN127B, GLN131B, GLU101B, GLU120A, GLU125B, GLU23A, GLU26B, GLU27A, GLY102A, GLY107B, HIS112A, HIS113A, HIS117B, HIS122A, HIS50A, ILE109B, ILE111A, ILE111B, ILE112B, ILE33B, ILE54B, LEU100A, LEU101A, LEU105B, LEU106A, LEU106B, LEU10B, LEU110B, LEU114B, LEU117A, LEU125A, LEU31B, LEU32B, LEU55B, LYS120B, LYS127A, LYS132B, LYS99A, MET32A, PHE105A, PHE118B, PHE122B, PHE33A, PHE98A, PRO114A, PRO119A, PRO124B, PRO36B, PRO37A, PRO51B, SER124A, SER50B, THR118A, THR119B, THR123B, THR34A, THR35A, THR52B, TRP130B, TRP37B, TYR24A, TYR35B, TYR36A, VAL107A, VAL108A, VAL109A, VAL113B, VAL121A, VAL134B, VAL34B, VAL96A
• A-C: ALA123A, ALA123C, ALA131A, ALA131C, ALA138A, ALA138C, ALA77A, ALA77C, ARG141A, ARG141C, ASP126A, ASP126C, ASP6A, ASP6C, CYS130A, CYS130C, LEU129C, LEU2A, LEU2C, LYS127A, LYS127C, LYS139A, LYS139C, LYS99A, LYS99C, PHE128A, PHE128C, SER124A, SER124C, SER3A, SER3C, SER81A, THR134A, THR134C, THR137A, THR137C, TYR140A, TYR140C, VAL135A, VAL135C, VAL1A, VAL1C
• A-D: ALA138A, ALA43D, ALA88A, ARG141A, ARG40D, ARG92A, ASN102D, ASN97A, ASP94A, ASP94D, ASP99D, CYS93D, GLN38A, GLN39D, GLN89A, GLU101D, HIS87A, HIS97D, ILE33D, LEU100A, LEU105D, LEU32D, LEU48D, LEU91A, LEU96D, LYS139A, LYS40A, LYS90A, LYS95D, LYS99A, PHE41D, PHE42D, PHE43A, PHE98A, PRO100D, PRO36D, PRO37A, PRO44A, PRO95A, SER49D, THR137A, THR38D, THR39A, THR41A, TRP37D, TYR140A, TYR145D, TYR35D, TYR42A, VAL34D, VAL93A, VAL96A, VAL98D
• B-C: ALA138C, ALA43B, ALA88C, ARG141C, ARG40B, ARG92C, ASN102B, ASN97C, ASP94B, ASP94C, ASP99B, CYS93B, GLN38C, GLN39B, GLN89C, GLU101B, HIS146B, HIS87C, HIS97B, ILE33B, ILE54B, LEU100C, LEU105B, LEU32B, LEU48B, LEU91C, LEU96B, LYS139C, LYS40C, LYS90C, LYS95B, LYS99C, PHE41B, PHE42B, PHE43C, PHE98C, PRO100B, PRO36B, PRO37C, PRO44C, PRO95C, SER49B, THR137C, THR38B, THR39C, THR41C, TRP37B, TYR140C, TYR145B, TYR35B, TYR42C, VAL34B, VAL93C, VAL96C, VAL98B
• B-D: ALA138B, ALA138D, ALA140B, ALA140D, ALA142B, ALA142D, ARG104B, ARG135B, ARG135D, ARG143B, ARG143D, ASP99D, GLN131B, GLN131D, GLU101B, GLU101D, HIS139B, HIS139D, HIS146B, HIS146D, HIS2B, HIS2D, LEU133B, LEU133D, LYS132B, LYS132D, LYS144B, LYS82B, LYS82D, PRO100B, PRO100D, TRP3B, TRP3D, TYR145B, TYR145D, VAL134B, VAL136B, VAL136D, VAL137B, VAL137D, VAL1B, VAL1D
• C-D: ALA110C, ALA115C, ALA115D, ALA116C, ALA116D, ALA123C, ALA128D, ALA129D, ALA25D, ALA27D, ALA28C, ALA29D, ARG104D, ARG135D, ARG30D, ARG31C, ARG61D, ASN97C, ASN9C, ASP108D, ASP121D, ASP126C, ASP30C, CYS104C, CYS126D, CYS130C, GLN103C, GLN127D, GLN131D, GLN38C, GLU101D, GLU120C, GLU125D, GLU23C, GLU26D, GLU27C, GLY102C, GLY107D, HIS112C, HIS113C, HIS117D, HIS122C, HIS50C, ILE109D, ILE111C, ILE111D, ILE112D, ILE33D, ILE54D, LEU100C, LEU101C, LEU105D, LEU106C, LEU110D, LEU114D, LEU117C, LEU125C, LEU129C, LEU29C, LEU31D, LEU55D, LYS120D, LYS127C, LYS132D, LYS99C, MET32C, PHE105C, PHE118D, PHE122D, PHE33C, PHE98C, PRO114C, PRO119C, PRO124D, PRO36D, PRO37C, PRO51D, PRO95C, SER124C, SER50D, THR118C, THR119D, THR123D, THR34C, THR35C, THR52D, TRP130D, TRP37D, TYR35D, TYR36C, VAL107C, VAL108C, VAL109C, VAL113D, VAL121C, VAL134D, VAL34D, VAL96C