2R1H

met-trout iv hemoglobin at ph 6.3

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 50
  • Norm. En. per Res.: -3.6732
• 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	-15.569	1.0712	-263.751	-278.2488	97	1	14	10221	0	17	9
A-C	-14.2073	-76.339	-93.1155	-183.6618	50	4	1	3262	4	12	19
A-D	-14.8903	40.6005	-171.26	-145.5498	63	2	2	6397	0	17	19
B-C	-22.0854	36.4789	-189.586	-175.1925	63	5	2	6749	0	17	19
B-D	-6.963	-46.4449	-10.4616	-63.8695	31	7	0	950	1	16	7
C-D	-13.4805	-5.1427	-267.051	-285.6743	95	4	14	10264	0	17	9

Interface residues

• A-B: ALA107B, ALA111A, ALA112A, ALA115B, ALA116A, ALA116B, ALA121B, ALA125B, ALA130B, ALA136B, ALA27B, ALA28A, ALA29B, ALA50A, ALA52B, ARG104B, ARG30B, ARG31A, ASN105A, ASP108B, ASP126B, ASP127A, CYS109B, CYS113B, GLN128B, GLN131A, GLN132B, GLN26B, GLN27A, GLN38A, GLN39B, GLU117A, GLU121A, GLU129B, GLU23A, GLU26A, GLY119B, GLY52A, HIS104A, HIS123A, ILE101A, ILE107A, ILE110A, ILE110B, ILE122A, ILE24A, ILE33B, ILE54B, LEU105B, LEU106A, LEU118B, LEU124A, LEU135B, LEU29A, LEU31B, LEU32B, LEU33A, LYS100A, LYS117B, LYS128A, LYS133B, LYS20A, LYS40A, MET32A, MET55B, PHE114A, PHE118A, PHE123B, PHE131B, PRO115A, PRO120A, PRO120B, PRO25B, PRO36B, PRO37A, PRO51A, PRO51B, SER124B, SER125A, SER30A, SER35B, THR111B, THR119A, THR127B, THR50B, TRP37B, TYR113A, TYR36A, VAL108A, VAL109A, VAL112B, VAL114B, VAL122B, VAL126A, VAL34A, VAL34B, VAL35A
• A-C: ALA138A, ALA138C, ARG142A, ARG142C, ASP127A, ASP127C, ASP6A, ASP6C, GLN131A, GLN131C, GLN132A, GLN132C, GLU139A, GLU139C, HIS123A, HIS123C, ILE107A, ILE107C, LEU124A, LEU124C, LEU130A, LEU130C, LEU135A, LEU135C, LEU2A, LEU2C, LYS100A, LYS100C, LYS128A, LYS128C, LYS140A, LYS140C, PHE129A, PHE129C, PHE78A, PHE78C, PRO120C, SER125A, SER125C, SER1A, SER1C, SER3A, SER3C, THR82A, THR97A, THR97C, TYR141A, TYR141C, VAL126A, VAL126C
• A-D: ALA138A, ALA41A, ALA89A, ARG104D, ARG142A, ARG144D, ARG40D, ARG93A, ASN102D, ASN98A, ASP101D, ASP95A, ASP99D, GLN145D, GLN38A, GLN39D, GLU94D, GLY143D, HIS147D, HIS41D, HIS45A, HIS88A, HIS92D, ILE101A, ILE33D, LEU105D, LEU31D, LEU32D, LEU33A, LEU48D, LEU92A, LEU96D, LYS100A, LYS40A, LYS91A, LYS95D, PHE103D, PHE42D, PHE43A, PHE97D, PRO100D, PRO36D, PRO37A, PRO96A, SER35D, SER43D, SER44A, SER93D, THR38D, THR39A, THR44D, THR90A, THR97A, TRP37D, TYR141A, TYR146D, TYR36A, TYR42A, VAL34A, VAL34D, VAL49A, VAL94A, VAL98D
• B-C: ALA138C, ALA41C, ALA89C, ARG104B, ARG142C, ARG40B, ARG93C, ASN102B, ASN98C, ASP101B, ASP95C, ASP99B, GLN145B, GLN38C, GLN39B, GLU94B, GLY143B, HIS147B, HIS41B, HIS45C, HIS88C, HIS92B, ILE101C, ILE33B, ILE54B, LEU105B, LEU32B, LEU33C, LEU48B, LEU92C, LEU96B, LYS100C, LYS140C, LYS40C, LYS91C, PHE103B, PHE42B, PHE43C, PHE97B, PRO100B, PRO36B, PRO37C, PRO96C, SER35B, SER43B, SER44C, SER49B, SER93B, THR38B, THR39C, THR90C, THR97C, TRP37B, TYR141C, TYR146B, TYR36C, TYR42C, VAL34B, VAL34C, VAL35C, VAL49C, VAL94C, VAL98B
• B-D: ARG144B, ARG144D, ASN83B, ASN83D, ASP2B, ASP2D, GLN145B, GLN145D, GLU129B, GLU129D, GLU7D, HIS147B, HIS147D, HIS1B, LYS133B, LYS133D, LYS82B, LYS82D, LYS95D, SER140B, SER140D, THR44D, THR4D, TRP3B, TRP3D, TYR146B, VAL137B, VAL137D, VAL1B, VAL1D, VAL86B
• C-D: ALA107D, ALA111C, ALA112C, ALA115D, ALA116C, ALA116D, ALA121D, ALA125D, ALA130D, ALA136D, ALA27D, ALA28C, ALA29D, ALA52D, ARG104D, ARG30D, ARG31C, ASN105C, ASN9C, ASP108D, ASP126D, ASP127C, CYS109D, CYS113D, GLN128D, GLN131C, GLN132D, GLN26D, GLN27C, GLN39D, GLU117C, GLU121C, GLU129D, GLU23C, GLU26C, GLY119D, HIS104C, HIS123C, ILE101C, ILE107C, ILE110C, ILE110D, ILE122C, ILE24C, ILE33D, ILE54D, LEU105D, LEU106C, LEU118D, LEU124C, LEU135D, LEU29C, LEU31D, LEU32D, LEU33C, LYS100C, LYS117D, LYS128C, LYS133D, LYS20C, LYS40C, LYS5C, MET32C, MET55D, PHE114C, PHE118C, PHE123D, PHE131D, PRO115C, PRO120C, PRO120D, PRO36D, PRO37C, PRO51C, PRO51D, SER124D, SER125C, SER30C, SER35D, THR111D, THR119C, THR127D, THR50D, TRP37D, TYR113C, TYR36C, VAL108C, VAL109C, VAL112D, VAL114D, VAL122D, VAL126C, VAL34C, VAL34D, VAL35C