3FS4

crystal structure determination of ostrich hemoglobin at 2.2 angstrom resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 99
  • Norm. En. per Res.: -2.7694
• 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	-3.9414	11.2555	-281.483	-274.1689	99	6	13	11501	0	17	18
A-C	-3.6922	0.0	-30.9692	-34.6614	38	9	2	1882	0	9	10
A-D	-6.915	13.9427	-119.788	-112.7603	51	3	0	4481	0	10	10
B-C	-6.5566	15.1692	-129.479	-120.8665	54	6	0	4689	0	10	10
B-D	-5.1558	33.8719	-49.7988	-21.0827	34	0	0	1649	0	14	36
C-D	-4.3774	13.1439	-269.219	-260.4525	96	13	13	11328	0	17	18

Interface residues

• A-B: ALA110A, ALA115B, ALA116A, ALA116B, ALA123A, ALA128B, ALA129B, ALA27B, ALA29B, ARG104B, ARG135B, ARG30B, ARG31A, ASN97A, ASP108B, ASP126A, CYS104A, CYS126B, CYS130A, GLN103A, GLN127B, GLN131B, GLN38A, GLU101B, GLU120A, GLU121B, GLU125B, GLU23A, GLU26B, GLU27A, GLU30A, GLY102A, GLY107B, HIS112A, HIS113A, HIS117B, HIS122A, HIS50A, ILE109B, ILE111A, ILE111B, ILE112B, ILE33B, ILE34A, ILE54B, LEU100A, LEU101A, LEU105B, LEU106A, LEU106B, LEU10B, LEU110B, LEU114B, LEU117A, LEU125A, LEU129A, LEU29A, LEU31B, LEU32B, LEU55B, LYS120B, LYS127A, LYS132B, LYS99A, MET32A, PHE105A, PHE118B, PHE122B, PHE33A, PHE98A, PRO114A, PRO119A, PRO124B, PRO36B, PRO37A, PRO51B, SER115A, SER124A, SER50B, THR118A, THR119B, THR123B, THR28A, THR35A, THR52B, THR5A, TRP130B, TRP37B, TYR24A, TYR35B, TYR36A, VAL107A, VAL108A, VAL109A, VAL113B, VAL121A, VAL134B, VAL34B, VAL96A
• A-C: ALA123A, ALA123C, ALA131A, ALA131C, ALA134A, ALA134C, ALA138A, ALA138C, ARG141A, ARG141C, ASP126A, ASP126C, ASP6A, ASP6C, CYS130A, CYS130C, LEU2A, LEU2C, LYS127A, LYS127C, LYS139A, LYS139C, LYS99A, LYS99C, PHE128A, PHE128C, SER124A, SER124C, SER3A, SER3C, SER77A, SER77C, THR137A, THR137C, TYR140A, TYR140C, VAL1A, VAL1C
• A-D: ALA88A, ARG141A, ARG40D, ARG92A, ASN102D, ASN97A, ASP94A, ASP99D, CYS93D, GLN38A, GLN39D, GLN89A, GLU101D, HIS87A, HIS97D, ILE33D, ILE54D, LEU100A, LEU105D, LEU32D, LEU48D, LEU91A, LEU96D, LYS139A, LYS40A, LYS90A, LYS99A, PHE41D, PHE42D, PHE43A, PHE98A, PRO100D, PRO36D, PRO37A, PRO44A, PRO95A, SER49D, SER50D, THR137A, THR38D, THR39A, THR41A, TRP37D, TYR140A, TYR145D, TYR35D, TYR42A, VAL34D, VAL93A, VAL96A, VAL98D
• B-C: ALA43B, ALA88C, ARG141C, ARG40B, ARG92C, ASN102B, ASN97C, ASP94C, ASP99B, CYS93B, GLN38C, GLN39B, GLN89C, GLU101B, HIS87C, HIS97B, ILE33B, ILE54B, LEU100C, LEU105B, LEU32B, LEU48B, LEU91C, LEU96B, LYS139C, LYS40C, LYS90C, LYS95B, LYS99C, PHE41B, PHE42B, PHE43C, PHE98C, PRO100B, PRO36B, PRO37C, PRO44C, PRO51B, PRO95C, SER49B, SER50B, THR137C, THR38B, THR39C, THR41C, TRP37B, TYR140C, TYR145B, TYR35B, TYR42C, VAL34B, VAL93C, VAL96C, VAL98B
• B-D: ALA138B, ALA138D, ALA140B, ALA140D, ALA142B, ALA142D, ARG104B, ARG104D, ARG135B, ARG135D, ARG143B, ARG143D, ASP99B, ASP99D, GLN2B, GLN2D, GLU101B, GLU101D, HIS139B, HIS139D, HIS146B, HIS146D, LYS132B, LYS132D, LYS144B, LYS144D, PRO100B, PRO100D, TYR145B, TYR145D, VAL136B, VAL136D, VAL1B, VAL1D
• C-D: ALA110C, ALA115D, ALA116C, ALA116D, ALA123C, ALA128D, ALA129D, ALA27D, ALA29D, ARG104D, ARG135D, ARG30D, ARG31C, ASN97C, ASP108D, ASP126C, CYS104C, CYS126D, CYS130C, GLN103C, GLN127D, GLN131D, GLN38C, GLU101D, GLU120C, GLU121D, GLU125D, GLU23C, GLU26D, GLU27C, GLU30C, GLY102C, GLY107D, HIS112C, HIS113C, HIS117D, HIS122C, HIS20C, HIS50C, ILE109D, ILE111C, ILE111D, ILE112D, ILE33D, ILE34C, ILE54D, LEU100C, LEU101C, LEU105D, LEU106C, LEU10D, LEU110D, LEU114D, LEU117C, LEU125C, LEU129C, LEU31D, LEU55D, LYS120D, LYS127C, LYS132D, LYS99C, MET32C, PHE105C, PHE118D, PHE122D, PHE33C, PHE98C, PRO114C, PRO119C, PRO124D, PRO36D, PRO37C, PRO51D, SER115C, SER124C, SER50D, THR118C, THR119D, THR123D, THR28C, THR35C, THR52D, TRP130D, TRP37D, TYR24C, TYR35D, TYR36C, VAL107C, VAL108C, VAL109C, VAL113D, VAL121C, VAL134D, VAL34D, VAL96C