3NG6

the crystal structure of hemoglobin i from trematomus newnesi in deoxygenated state obtained through an oxidation/reduction cycle in which potassium hexacyanoferrate and sodium dithionite were alternatively added

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 51
  • Norm. En. per Res.: -4.3595
• 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	0.0	1.8336	-207.14	-205.3064	84	6	8	8715	0	18	16
A-C	-65.0338	-75.4284	-81.8719	-222.3341	51	14	0	3376	4	19	24
A-D	-36.5288	62.2796	-180.752	-155.0011	63	15	1	7012	0	20	18
B-C	-40.09	57.4854	-180.004	-162.6086	61	13	1	7086	0	19	18
B-D	0.0	0.0	-0.1624	-0.1624	6	0	0	42	0	8	8
C-D	-25.766	8.3753	-226.771	-244.1617	84	15	8	9112	2	18	16

Interface residues

• A-B: ALA115B, ALA116B, ALA121B, ALA122A, ALA124B, ALA129B, ALA27B, ALA28A, ALA51B, ARG30B, ARG31A, ASN103A, ASN50B, ASP108B, ASP127A, ASP27A, CYS105A, CYS109B, CYS31B, GLN127B, GLN131B, GLU117A, GLU121A, GLU125B, GLU52B, GLY119B, GLY128B, HIS104A, HIS120B, HIS123A, ILE101A, ILE106A, ILE110A, ILE110B, ILE112B, ILE33A, ILE54B, LEU105B, LEU107A, LEU114B, LEU126A, LEU134B, LEU32B, LYS104B, LYS116A, LYS117B, LYS128A, LYS132B, LYS26B, LYS5A, MET113A, MET118B, MET32A, MET55B, PHE114A, PHE118A, PHE122B, PHE130B, PRO115A, PRO120A, PRO36B, PRO37A, PRO51A, SER107B, SER111A, SER125A, SER29B, SER30A, THR111B, THR112A, THR119A, THR123B, THR126B, TRP37B, TYR35B, TYR36A, VAL108A, VAL109A, VAL113B, VAL124A, 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, LYS7A, PHE129A, PHE129C, SER125A, SER125C, SER131A, SER131C, SER1A, SER1C, SER3A, SER3C, TYR141A, TYR141C, VAL124A, VAL124C
• A-D: ALA138A, ALA89A, ARG140A, ARG142A, ARG40D, ARG93A, ASN102D, ASN98A, ASP101D, ASP95A, ASP99D, GLN144D, GLN38A, GLN39D, GLU94D, GLY142D, HIS146D, 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, SER43D, SER44A, SER93D, SER97A, THR38D, THR39A, TRP37D, TYR141A, TYR145D, TYR35D, TYR36A, TYR41D, TYR42A, TYR49D, TYR90A, VAL33D, VAL34A, VAL34D, VAL49A, VAL94A, VAL98D
• B-C: ALA138C, ALA89C, ARG140C, ARG142C, ARG40B, ARG93C, ASN102B, ASN98C, ASP101B, ASP95C, ASP99B, GLN144B, GLN38C, GLN39B, GLU94B, GLY142B, HIS146B, HIS45C, HIS88C, HIS92B, HIS97B, ILE101C, ILE33C, ILE41C, ILE54B, LEU105B, LEU32B, LEU48B, LEU92C, LEU96B, LYS100C, LYS104B, LYS40C, LYS91C, PHE103B, PHE42B, PHE43C, PRO100B, PRO36B, PRO37C, PRO96C, SER43B, SER44C, SER93B, SER97C, THR38B, THR39C, TRP37B, TYR141C, TYR145B, TYR35B, TYR36C, TYR41B, TYR42C, TYR49B, TYR90C, VAL33B, VAL34B, VAL34C, VAL94C, VAL98B
• B-D: GLU2B, GLU2D, LYS143B, LYS143D, VAL1B, VAL1D
• C-D: ALA115D, ALA116D, ALA121D, ALA122C, ALA124D, ALA129D, ALA27D, ALA28C, ALA51D, ARG30D, ARG31C, ASN103C, ASN50D, ASP108D, ASP127C, ASP27C, CYS105C, CYS109D, CYS31D, GLN127D, GLN131D, GLU117C, GLU121C, GLU125D, GLU52D, GLY119D, GLY128D, HIS104C, HIS120D, HIS123C, ILE101C, ILE106C, ILE110C, ILE110D, ILE112D, ILE33C, ILE54D, LEU105D, LEU107C, LEU114D, LEU126C, LEU134D, LEU32D, LYS104D, LYS116C, LYS117D, LYS128C, LYS132D, LYS26D, LYS5C, MET113C, MET118D, MET32C, MET55D, PHE114C, PHE118C, PHE122D, PHE130D, PRO115C, PRO120C, PRO36D, PRO37C, PRO51C, SER107D, SER111C, SER125C, SER29D, SER30C, THR111D, THR112C, THR119C, THR123D, THR126D, TRP37D, TYR35D, TYR36C, VAL108C, VAL109C, VAL113D, VAL124C, VAL33D, VAL34C, VAL34D, VAL35C