2PGH

structure determination of aquomet porcine hemoglobin at 2.8 angstrom resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 89
  • Norm. En. per Res.: -2.5734
• 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	-21.1952	-5.6827	-202.155	-229.0329	89	16	11	9249	0	20	25
A-C	0.0	-36.6528	-46.3399	-82.9927	42	12	0	2384	2	7	10
A-D	-4.774	9.5038	-118.296	-113.5661	56	5	0	4974	0	16	14
B-C	-2.8665	3.6658	-115.911	-115.1117	55	1	0	5179	0	17	15
B-D	0.0	9.2475	-14.127	-4.8795	35	6	0	1056	0	17	22
C-D	-21.9768	11.5364	-217.737	-228.1774	94	19	11	10295	0	21	26

Interface residues

• A-B: ALA110A, ALA111A, ALA115B, ALA123A, ALA128B, ALA129B, ALA130A, ALA135B, ALA27B, ALA28A, ALA51B, ARG104B, ARG116B, ARG117B, ARG30B, ARG31A, ASN108B, ASN118A, ASN123B, ASN50B, ASP115A, ASP116A, ASP121B, ASP125B, ASP126A, ASP52B, CYS104A, GLN127B, GLN131B, GLU101B, GLU26B, GLU27A, GLU30A, GLU7B, GLY107B, GLY119B, GLY29B, GLY35A, HIS103A, HIS112A, HIS113A, HIS120B, HIS122A, HIS50A, ILE110B, LEU100A, LEU105A, LEU105B, LEU106A, LEU109A, LEU114B, LEU118B, LEU125A, LEU29A, LEU31B, LEU32B, LEU34A, LYS127A, LYS132B, LYS99A, MET32A, MET55B, PHE117A, PHE122B, PHE130B, PHE33A, PHE36A, PRO114A, PRO119A, PRO124B, PRO36B, PRO37A, SER102A, SER120A, SER124A, THR108A, TRP37B, TYR35B, VAL107A, VAL109B, VAL111B, VAL112B, VAL113B, VAL121A, VAL126B, VAL134B, VAL33B, VAL34B, VAL54B
• A-C: ALA123A, ALA123C, ALA130A, ALA4A, ALA4C, ALA5A, ALA5C, ARG141A, ARG141C, ASN131A, ASP126A, ASP6A, ASP6C, HIS122A, LEU125A, LEU2A, LEU2C, LYS127A, LYS127C, LYS139A, LYS139C, LYS99A, PHE128A, PRO77A, PRO77C, SER124A, SER138A, SER138C, SER3A, SER3C, SER84A, THR134A, THR134C, THR137A, THR137C, TYR140A, TYR140C, VAL135A, VAL135C, VAL1A, VAL1C, VAL96C
• A-D: ALA88A, ARG141A, ARG40D, ARG92A, ASN102D, ASN97A, ASP94A, ASP94D, ASP99D, CYS93D, GLN39D, GLN95D, GLU101D, GLU43D, HIS146D, HIS87A, HIS89A, HIS92D, HIS97D, LEU100A, LEU105D, LEU34A, LEU48D, LEU91A, LEU96D, LYS139A, LYS40A, LYS90A, LYS99A, PHE103D, PHE36A, PHE41D, PHE43A, PHE98A, PRO100D, PRO36D, PRO37A, PRO44A, PRO95A, SER138A, SER49D, THR137A, THR38A, THR38D, THR39A, THR41A, TRP37D, TYR140A, TYR145D, TYR35D, TYR42A, VAL33D, VAL34D, VAL93A, VAL96A, VAL98D
• B-C: ALA88C, ARG141C, ARG40B, ARG92C, ASN102B, ASN97C, ASP94B, ASP94C, ASP99B, CYS93B, GLN39B, GLN95B, GLU101B, GLU43B, GLY35C, HIS146B, HIS87C, HIS89C, HIS92B, HIS97B, LEU100C, LEU105B, LEU34C, LEU48B, LEU91C, LEU96B, LYS139C, LYS40C, LYS90C, LYS99C, PHE36C, PHE41B, PHE42B, PHE43C, PHE98C, PRO100B, PRO36B, PRO37C, PRO44C, PRO95C, THR137C, THR38B, THR38C, THR39C, THR41C, TRP37B, TYR140C, TYR145B, TYR35B, TYR42C, VAL33B, VAL34B, VAL93C, VAL96C, VAL98B
• B-D: ALA128D, ALA129D, ALA135D, ALA142B, ALA142D, ARG104B, ARG104D, ASN139B, ASN139D, GLN131D, GLU101B, GLU101D, GLU7B, GLU7D, GLY136D, HIS143B, HIS143D, HIS146B, HIS146D, HIS2B, HIS2D, LEU3D, LYS132B, LYS132D, LYS144B, LYS144D, LYS82B, LYS82D, PRO100D, SER4B, TYR145B, TYR145D, VAL133D, VAL1B, VAL1D
• C-D: ALA110C, ALA111C, ALA115D, ALA123C, ALA128D, ALA129D, ALA130C, ALA135D, ALA26C, ALA27D, ALA28C, ALA51D, ARG104D, ARG116D, ARG117D, ARG30D, ARG31C, ASN108D, ASN118C, ASN123D, ASN50D, ASP115C, ASP116C, ASP121D, ASP125D, ASP126C, ASP52D, CYS104C, GLN127D, GLN131D, GLU101D, GLU26D, GLU27C, GLU30C, GLU7D, GLY107D, GLY119D, GLY29D, GLY35C, GLY51C, HIS103C, HIS112C, HIS113C, HIS120D, HIS122C, HIS50C, ILE110D, LEU100C, LEU105C, LEU105D, LEU106C, LEU106D, LEU109C, LEU114D, LEU118D, LEU125C, LEU29C, LEU31D, LEU32D, LEU34C, LYS127C, LYS132D, LYS99C, MET32C, MET55D, PHE117C, PHE122D, PHE130D, PHE33C, PHE36C, PRO114C, PRO119C, PRO124D, PRO36D, PRO37C, SER102C, SER120C, SER124C, SER49C, THR108C, TRP37D, TYR35D, VAL107C, VAL109D, VAL111D, VAL112D, VAL113D, VAL121C, VAL126D, VAL134D, VAL33D, VAL34D, VAL54D, VAL96C