1QPW

crystal structure determination of porcine hemoglobin at 1.8a resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 89
  • Norm. En. per Res.: -2.8855
• 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	-10.0435	-7.1897	-239.576	-256.8092	89	13	11	9848	0	20	29
A-C	-23.8523	-37.7322	-59.1864	-120.771	42	5	0	2362	2	7	12
A-D	-2.229	17.6275	-127.818	-112.4195	58	1	0	5222	0	17	14
B-C	-10.4745	-0.265	-150.567	-161.3065	61	6	0	5905	2	14	15
B-D	-9.9659	12.8422	-28.9066	-26.0303	38	5	0	1369	0	17	23
C-D	-10.9715	3.5972	-235.718	-243.0923	94	5	11	10226	0	23	27

Interface residues

• A-B: ALA110A, ALA111A, ALA115B, ALA123A, ALA128B, ALA129B, ALA130A, ALA135B, ALA26A, ALA27B, ALA28A, ALA51B, ARG116B, ARG117B, ARG30B, ARG31A, ASN108B, ASN118A, ASN123B, ASN50B, ASP115A, ASP116A, ASP121B, ASP125B, ASP126A, ASP52B, CYS104A, GLN127B, GLN131B, GLU101B, GLU26B, GLU27A, GLU30A, GLY107B, GLY119B, GLY29B, GLY35A, GLY51A, 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, ALA4C, ALA5C, ARG141A, ARG141C, ASN131A, ASN131C, ASP126A, ASP6A, ASP6C, HIS122A, LEU106A, LEU125A, LEU129A, LEU2A, LYS127A, LYS127C, LYS139A, LYS139C, LYS99A, LYS99C, PHE128A, PRO77A, PRO77C, PRO95A, SER124A, SER138A, SER138C, SER3A, SER3C, SER84C, THR134A, THR134C, THR137C, TYR140A, TYR140C, VAL135C, VAL1A, VAL1C, VAL96A
• A-D: ALA51D, ALA88A, ARG141A, ARG40D, ARG92A, ASN102D, ASN50D, ASN97A, ASP94A, ASP94D, ASP99D, CYS93D, GLN39D, GLN95D, GLU101D, GLU43D, HIS146D, HIS45A, HIS87A, HIS89A, HIS92D, HIS97D, LEU100A, LEU105D, LEU32D, LEU48D, LEU91A, LEU96D, LYS139A, LYS40A, LYS90A, LYS99A, PHE103D, PHE36A, PHE41D, PHE43A, PHE98A, PRO100D, PRO36D, PRO37A, PRO44A, PRO95A, 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, GLY46B, HIS146B, HIS45C, HIS87C, HIS89C, HIS92B, HIS97B, LEU100C, LEU105B, LEU32B, LEU34C, LEU48B, LEU86C, LEU91C, LEU96B, LYS139C, LYS40C, LYS90C, LYS99C, PHE33C, PHE36C, PHE41B, PHE42B, PHE43C, PHE98C, PRO100B, PRO36B, PRO37C, PRO44C, PRO95C, SER49B, THR137C, THR38B, THR38C, THR39C, THR41C, TRP37B, TYR140C, TYR145B, TYR35B, TYR42C, VAL33B, VAL34B, VAL93C, VAL96C, VAL98B
• B-D: ALA128D, ALA129D, ALA135B, ALA135D, ALA138B, ALA140B, ALA140D, 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, 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, ASN9C, ASP115C, ASP116C, ASP121D, ASP125D, ASP126C, ASP52D, CYS104C, GLN127D, GLN131D, GLU101D, GLU26D, GLU27C, GLU30C, GLY107D, GLY119D, GLY29D, GLY35C, GLY51C, HIS103C, HIS112C, HIS113C, HIS120D, HIS122C, HIS50C, ILE110D, LEU100C, LEU101C, LEU105C, LEU105D, LEU106C, LEU109C, LEU114D, LEU118D, LEU125C, LEU29C, LEU31D, LEU32D, LEU34C, LYS127C, LYS132D, LYS99C, MET32C, MET55D, PHE117C, PHE122D, PHE130D, PHE33C, PHE36C, PHE98C, PRO114C, PRO119C, PRO124D, PRO36D, PRO37C, SER102C, SER120C, SER124C, THR108C, TRP37D, TYR35D, VAL107C, VAL109D, VAL111D, VAL112D, VAL113D, VAL121C, VAL126D, VAL134D, VAL33D, VAL34D, VAL54D, VAL96C