3BJ2

met-perch hemoglobin at ph 6.3

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 45
  • Norm. En. per Res.: -4.1135
• 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	-6.7146	-0.4194	-238.15	-245.2839	89	0	14	9623	2	14	14
A-C	-31.7371	-62.4786	-90.8899	-185.1056	45	4	0	2915	4	12	19
A-D	-14.4176	17.7849	-138.323	-134.9557	56	6	0	5351	0	11	11
B-C	-2.4621	18.5001	-135.409	-119.3711	55	4	0	5399	0	13	11
B-D	-10.9369	4.8829	-117.457	-123.511	53	4	4	4293	0	8	18
C-D	0.0	2.6688	-234.096	-231.4272	89	3	14	9623	1	15	14

Interface residues

• A-B: ALA111A, ALA115B, ALA116B, ALA121B, ALA128B, ALA129B, ALA26B, ALA28A, ALA29B, ALA34A, ALA51B, ALA52B, ARG30B, ARG31A, ASN50B, ASP101B, ASP108B, ASP117A, ASP127A, ASP27A, CYS105A, CYS109B, CYS31B, GLN109A, GLN117B, GLN127B, GLN131B, GLU121A, GLU125B, GLU23A, GLY119B, GLY124B, GLY30A, HIS104A, HIS123A, ILE101A, ILE106A, ILE112B, ILE33B, ILE54B, LEU105B, LEU107A, LEU110A, LEU110B, LEU118B, LEU124A, LEU134B, LEU32B, LEU33A, LYS100A, LYS104B, LYS113A, LYS116A, LYS120B, LYS128A, LYS132B, MET32A, MET55B, PHE114A, PHE118A, PHE122B, PHE130A, PHE130B, PRO115A, PRO120A, PRO36B, PRO37A, PRO51A, SER103A, SER107B, SER123B, SER125A, SER131A, SER135B, THR111B, THR119A, THR27B, TRP37B, TYR126A, TYR35B, TYR36A, VAL108A, VAL112A, VAL113B, VAL114B, VAL122A, VAL126B, VAL34B, VAL35A
• A-C: ALA132A, ALA132C, ALA136A, ALA136C, ALA138A, ALA138C, ARG135A, ARG135C, ARG142A, ARG142C, ASN78A, ASN78C, ASP127A, ASP127C, ASP6A, ASP6C, GLU139A, GLU139C, HIS123A, HIS123C, LEU124A, LEU124C, LEU2A, LEU2C, LYS100A, LYS128A, LYS128C, LYS140A, LYS140C, PHE129A, PHE129C, PHE130A, PHE130C, SER125A, SER125C, SER131A, SER131C, SER1A, SER1C, SER3A, SER3C, TYR126A, TYR126C, TYR141A, TYR141C
• A-D: ALA138A, ALA89A, ALA97A, ARG142A, ARG40D, ARG93A, ASN102D, ASN50D, ASN98A, ASP101D, ASP95A, ASP99D, CYS31D, GLN38A, GLN39D, GLU86A, GLU94D, HIS45A, HIS88A, HIS97D, ILE101A, ILE33D, ILE54D, LEU105D, LEU32D, LEU48D, LEU92A, LEU96D, LYS100A, LYS140A, LYS143D, LYS40A, LYS95D, PHE42D, PHE43A, PHE90A, PHE99A, PRO100D, PRO36D, PRO37A, PRO96A, SER44A, SER93D, THR38D, THR39A, THR41A, THR91A, TRP37D, TYR141A, TYR35D, TYR41D, TYR42A, TYR49D, VAL34D, VAL94A, VAL98D
• B-C: ALA138C, ALA89C, ALA97C, ARG142C, ARG40B, ARG93C, ASN102B, ASN98C, ASP101B, ASP95C, ASP99B, CYS31B, GLN38C, GLN39B, GLU94B, HIS88C, HIS92B, HIS97B, ILE101C, ILE33B, ILE54B, LEU105B, LEU32B, LEU48B, LEU92C, LEU96B, LYS100C, LYS140C, LYS143B, LYS40C, LYS95B, PHE42B, PHE43C, PHE90C, PRO100B, PRO36B, PRO37C, PRO96C, SER44C, SER93B, THR38B, THR39C, THR41C, THR91C, TRP37B, TYR141C, TYR145B, TYR35B, TYR36C, TYR41B, TYR42C, TYR49B, VAL34B, VAL94C, VAL98B
• B-D: ALA140B, ALA140D, ALA83B, ALA83D, ASN80B, ASN80D, ASP101B, ASP101D, ASP79B, GLN131B, GLN131D, GLN144B, GLN144D, GLY142B, GLY142D, HIS146B, HIS146D, ILE81B, ILE81D, LEU134B, LEU141B, LEU141D, LYS104B, LYS104D, LYS132B, LYS132D, LYS143B, LYS143D, LYS82B, LYS82D, PHE133B, PHE133D, PRO100D, SER135B, SER135D, SER139B, SER139D, TRP3B, TRP3D, TYR145B, TYR145D, TYR85B, TYR85D, VAL136B, VAL136D, VAL137B, VAL137D, VAL138B, VAL138D, VAL1B, VAL1D, VAL2B, VAL2D
• C-D: ALA111C, ALA115D, ALA116D, ALA121D, ALA128D, ALA129D, ALA26D, ALA28C, ALA29D, ALA34C, ALA51D, ALA52D, ARG30D, ARG31C, ASN50D, ASP108D, ASP117C, ASP127C, ASP27C, CYS105C, CYS109D, CYS31D, GLN109C, GLN117D, GLN127D, GLN131D, GLU121C, GLU125D, GLU23C, GLY119D, GLY124D, GLY30C, HIS104C, HIS123C, ILE101C, ILE106C, ILE112D, ILE33D, ILE54D, LEU105D, LEU107C, LEU110C, LEU110D, LEU118D, LEU124C, LEU134D, LEU32D, LEU33C, LYS100C, LYS104D, LYS113C, LYS116C, LYS120D, LYS128C, LYS132D, LYS20C, LYS5C, MET32C, MET55D, PHE114C, PHE118C, PHE122D, PHE130D, PRO115C, PRO120C, PRO36D, PRO37C, PRO51C, SER103C, SER107D, SER123D, SER125C, SER131C, SER135D, THR111D, THR119C, THR27D, TRP37D, TYR126C, TYR35D, TYR36C, VAL108C, VAL112C, VAL113D, VAL114D, VAL122C, VAL126D, VAL34D, VAL35C