1S5Y

the crystal structure of trematomus bernacchii hemoglobin oxidized by ferricyanide

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 49
  • Norm. En. per Res.: -3.6466
• 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	-9.2336	-0.0535	-199.261	-208.5481	84	4	8	8550	0	13	15
A-C	-38.2744	-79.4222	-60.9853	-178.6819	49	11	0	2700	4	15	18
A-D	-9.9045	37.543	-112.67	-85.0315	49	5	0	4531	0	15	15
B-C	-6.8141	30.2585	-105.365	-81.9206	48	4	0	4372	0	15	15
B-D	0.0	-1.0982	-0.6713	-1.7695	10	0	0	182	0	4	3
C-D	-11.1484	-6.1973	-197.035	-214.3808	81	8	8	8671	0	16	16

Interface residues

• A-B: ALA115B, ALA116B, ALA121B, ALA122A, ALA124B, ALA129B, ALA23A, ALA27B, ALA28A, ARG30B, ARG31A, ASN103A, ASP108B, ASP127A, ASP27A, CYS105A, CYS109B, CYS31B, GLN127B, GLN131B, GLU117A, GLU121A, GLU125B, GLY119B, GLY128B, HIS104A, HIS120B, HIS123A, ILE101A, ILE106A, ILE110A, ILE110B, ILE112B, ILE24A, ILE33A, ILE33B, ILE54B, ILE55B, LEU105B, LEU107A, LEU114B, LEU126A, LEU134B, LEU32B, LYS100A, LYS104B, LYS116A, LYS117B, LYS128A, LYS132B, LYS26B, MET113A, MET118B, MET32A, PHE114A, PHE118A, PHE122B, PHE130B, PRO115A, PRO120A, PRO36B, PRO37A, PRO51A, SER107B, SER111A, SER125A, SER131A, SER29B, SER30A, THR111B, THR112A, THR119A, THR123B, THR126B, TRP37B, TYR35B, TYR36A, VAL108A, VAL109A, VAL113B, VAL124A, 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, LYS128A, LYS128C, LYS5A, LYS78A, LYS78C, MET82A, MET82C, PHE129A, PHE129C, SER125A, SER125C, SER131A, SER131C, SER1A, SER1C, SER3A, SER3C, TYR141A, TYR141C, VAL124A, VAL124C
• A-D: ALA138A, ALA89A, ALA97A, ARG140A, ARG142A, ARG40D, ARG93A, ASN102D, ASN98A, ASP101D, ASP95A, ASP99D, CYS31D, GLN144D, GLN38A, GLN39D, GLU94D, GLY142D, HIS41D, HIS88A, HIS97D, ILE101A, ILE33D, LEU105D, LEU32D, LEU92A, LEU96D, LYS100A, LYS40A, PHE42D, PRO100D, PRO36D, PRO37A, PRO96A, SER43D, SER44A, SER93D, THR38D, THR39A, THR41A, TRP37D, TYR141A, TYR35D, TYR36A, TYR42A, TYR90A, VAL34D, VAL94A, VAL98D
• B-C: ALA138C, ALA89C, ALA97C, ARG140C, ARG142C, ARG40B, ARG93C, ASN102B, ASN98C, ASP101B, ASP95C, ASP99B, GLN144B, GLN38C, GLN39B, GLU94B, GLY142B, HIS41B, HIS88C, HIS97B, ILE101C, ILE33B, LEU105B, LEU32B, LEU92C, LEU96B, LYS100C, LYS40C, LYS95B, PRO100B, PRO36B, PRO37C, PRO96C, SER43B, SER44C, SER93B, THR38B, THR39C, THR41C, TRP37B, TYR141C, TYR35B, TYR36C, TYR42C, TYR90C, VAL34B, VAL94C, VAL98B
• B-D: GLN144B, GLN144D, GLU2B, GLU2D, LYS132B, LYS132D, LYS143B, LYS143D, VAL1B, VAL1D
• C-D: ALA115D, ALA116D, ALA121D, ALA122C, ALA124D, ALA129D, ALA23C, ALA28C, ARG30D, ARG31C, ASN103C, ASP108D, ASP127C, ASP27C, CYS105C, CYS109D, CYS31D, GLN127D, GLN131D, GLU117C, GLU121C, GLU125D, GLY119D, GLY128D, HIS104C, HIS120D, HIS123C, ILE101C, ILE106C, ILE110C, ILE110D, ILE112D, ILE33C, ILE33D, ILE54D, ILE55D, LEU105D, LEU107C, LEU114D, LEU126C, LEU134D, LEU32D, LYS100C, LYS104D, LYS116C, LYS117D, LYS128C, LYS132D, LYS26D, MET113C, MET118D, MET32C, PHE114C, PHE118C, PHE122D, PHE130D, PRO115C, PRO120C, PRO36D, PRO51C, SER107D, SER111C, SER125C, SER131C, SER29D, SER30C, THR111D, THR112C, THR119C, THR123D, THR126D, TRP37D, TYR35D, TYR36C, VAL108C, VAL109C, VAL113D, VAL124C, VAL34C, VAL34D, VAL35C