2AA1

crystal structure of the cathodic hemoglobin isolated from the antarctic fish trematomus newnesi

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 51
  • Norm. En. per Res.: -4.0783
• 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	-16.1388	-5.8726	-226.414	-248.4254	86	6	8	8907	0	12	12
A-C	-40.3325	-77.2193	-90.4437	-207.9955	51	5	0	3240	4	18	23
A-D	-28.5034	45.2915	-202.569	-185.7809	62	5	1	7371	0	20	21
B-C	-46.1015	47.2146	-208.522	-207.4089	63	7	1	7419	0	20	21
B-D	0.0	0.0	-0.0611	-0.0611	6	0	0	40	0	6	4
C-D	-14.6054	-6.3542	-231.891	-252.8506	85	8	8	9091	0	11	12

Interface residues

• A-B: ALA107B, ALA115B, ALA116B, ALA121B, ALA122A, ALA128B, ALA129B, ALA26B, ALA28A, ALA29B, ALA51B, ALA52B, ALA55B, ARG117B, ARG30B, ARG31A, ASN103A, ASN50B, ASP108B, ASP127A, ASP27A, CYS105A, CYS109B, CYS31B, GLN127B, GLN131B, GLU117A, GLU121A, GLU125B, GLY119B, GLY124B, HIS104A, HIS123A, ILE101A, ILE106A, ILE110A, ILE112B, ILE33A, ILE54B, LEU105B, LEU107A, LEU110B, LEU126A, LEU32B, LYS100A, LYS104B, LYS116A, LYS128A, LYS132B, LYS5A, MET113A, MET32A, PHE114A, PHE118A, PHE118B, PHE122B, PHE130B, PHE6B, PRO115A, PRO120A, PRO36B, PRO37A, PRO51A, SER111A, SER120B, SER125A, SER131A, SER30A, THR111B, THR112A, THR119A, THR123B, THR27B, TRP37B, TYR35B, TYR36A, VAL108A, VAL109A, VAL113B, VAL114B, VAL124A, VAL126B, VAL33B, VAL34A, VAL34B, VAL35A
• A-C: ALA136A, ALA136C, ALA138A, ALA138C, ARG140A, ARG140C, ARG142A, ARG142C, ASP127A, ASP127C, ASP6A, ASP6C, GLU139A, GLU139C, GLY132A, GLY132C, HIS123A, HIS123C, LEU107A, LEU107C, LEU126A, LEU126C, LEU130A, LEU130C, LEU135A, LEU135C, LEU2A, LEU2C, LYS100A, LYS100C, LYS128A, LYS128C, LYS5A, LYS5C, LYS78A, LYS78C, PHE129A, PHE129C, SER125A, SER125C, SER131A, SER131C, SER1A, SER1C, SER3A, SER3C, SER97A, TYR141A, TYR141C, VAL124A, VAL124C
• A-D: ALA138A, ALA89A, ARG140A, ARG142A, ARG146D, ARG40D, ARG93A, ASN102D, ASN98A, ASP101D, ASP95A, ASP99D, GLN144D, GLN38A, GLN39D, GLU94D, GLY142D, GLY43D, HIS45A, HIS88A, HIS92D, HIS97D, ILE101A, ILE33A, ILE41A, ILE54D, LEU105D, LEU32D, LEU48D, LEU92A, LEU96D, LYS100A, LYS104D, LYS40A, LYS91A, LYS95D, PHE103D, PHE42D, PHE43A, PRO100D, PRO36D, PRO37A, PRO96A, SER44A, SER93D, SER97A, THR38D, THR39A, TRP37D, TYR141A, TYR145D, TYR35D, TYR36A, TYR41D, TYR42A, TYR49D, TYR90A, VAL33D, VAL34A, VAL34D, VAL94A, VAL98D
• B-C: ALA138C, ALA89C, ARG140C, ARG142C, ARG146B, ARG40B, ARG93C, ASN102B, ASN98C, ASP101B, ASP95C, ASP99B, GLN144B, GLN38C, GLN39B, GLU94B, GLY142B, HIS45C, HIS88C, HIS92B, HIS97B, ILE101C, ILE33C, ILE41C, ILE54B, LEU105B, LEU32B, LEU48B, LEU92C, LEU96B, LYS100C, LYS104B, LYS143B, LYS40C, LYS91C, LYS95B, PHE103B, PHE42B, PHE43C, PRO100B, PRO36B, PRO37C, PRO96C, SER44C, SER93B, SER97C, THR38B, THR39C, TRP37B, TYR141C, TYR145B, TYR35B, TYR36C, TYR41B, TYR42C, TYR49B, TYR90C, VAL33B, VAL34B, VAL34C, VAL49C, VAL94C, VAL98B
• B-D: GLU2B, GLU2D, LYS143B, LYS143D, VAL1B, VAL1D
• C-D: ALA107D, ALA115D, ALA116D, ALA121D, ALA122C, ALA128D, ALA129D, ALA26D, ALA28C, ALA29D, ALA51D, ALA52D, ALA55D, ARG117D, ARG30D, ARG31C, ASN103C, ASN50D, ASP101D, ASP108D, ASP127C, ASP27C, CYS105C, CYS109D, CYS31D, GLN127D, GLN131D, GLU117C, GLU121C, GLU125D, GLY119D, GLY124D, HIS104C, HIS123C, ILE101C, ILE106C, ILE110C, ILE112D, ILE33C, ILE54D, LEU105D, LEU107C, LEU110D, LEU126C, LEU32D, LYS100C, LYS104D, LYS116C, LYS128C, LYS132D, LYS5C, MET113C, MET32C, PHE114C, PHE118C, PHE118D, PHE122D, PHE130D, PRO115C, PRO120C, PRO36D, PRO37C, PRO51C, SER111C, SER120D, SER125C, SER30C, THR111D, THR112C, THR119C, THR123D, THR27D, TRP37D, TYR35D, TYR36C, VAL108C, VAL109C, VAL113D, VAL114D, VAL124C, VAL126D, VAL33D, VAL34C, VAL34D, VAL35C