1YFF

structure of human carbonmonoxyhemoglobin c (beta e6k): two quaternary states (r2 and r3) in one crystal

• Total interactions analyzed: 28
• Total true interactions: 14
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 96
  • Norm. En. per Res.: -2.9871
• 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	-26.5494	23.3404	-264.101	-267.31	96	9	9	10264	0	16	21
A-C	-7.559	-4.3902	-30.1213	-42.0704	42	3	1	2126	0	8	10
A-D	-2.4191	5.2439	-132.049	-129.2242	60	1	0	5298	1	17	13
B-C	-5.6689	7.3932	-133.404	-131.6797	60	1	0	5386	0	16	13
B-D	0.0	2.6543	-23.1681	-20.5138	34	4	0	1112	0	10	25
B-E	0.0	-5.8932	-6.8316	-12.7249	19	0	0	449	0	10	10
C-D	-23.4805	20.2744	-267.885	-271.0911	95	6	8	10545	0	16	21
C-E	0.0	3.6568	-49.0408	-45.384	35	1	1	2369	1	10	18
E-F	-35.34	25.0638	-276.488	-286.7643	96	11	9	10661	0	16	21
E-G	-9.7529	-1.8626	-99.1177	-110.7332	53	3	6	3966	0	8	17
E-H	0.0	4.828	-88.0835	-83.2555	53	1	0	3870	0	13	11
F-G	-4.7401	2.7497	-95.6972	-97.6876	53	1	0	3972	0	13	11
F-H	0.0	25.014	-30.2868	-5.2728	31	0	0	1096	0	8	26
G-H	-27.8553	22.2734	-269.314	-274.8959	97	5	9	10438	0	15	21

Interface residues

• A-B: ALA110A, ALA111A, ALA115A, ALA115B, ALA120A, ALA123A, ALA128B, ALA129B, ALA130A, ALA135B, ALA26A, ALA27B, ALA28A, ARG104B, ARG30B, ARG31A, ASN108B, ASN9A, ASP126A, ASP52B, CYS104A, CYS112B, GLN127B, GLN131B, GLU101B, GLU116A, GLU121B, GLU23A, GLU26B, GLU27A, GLU30A, GLU7B, GLY107B, GLY119B, GLY29B, GLY56B, HIS103A, HIS112A, HIS116B, HIS117B, HIS122A, HIS20A, HIS50A, LEU100A, LEU105A, LEU105B, LEU106A, LEU109A, LEU110B, LEU113A, LEU114B, LEU125A, LEU29A, LEU31B, LEU32B, LEU34A, LYS120B, LYS127A, LYS132B, LYS99A, MET32A, MET55B, PHE117A, PHE118B, PHE122B, PHE33A, PHE36A, PRO114A, PRO119A, PRO124B, PRO125B, PRO36B, PRO37A, PRO51B, SER102A, SER124A, SER35A, THR108A, THR118A, THR123B, THR50B, TRP37B, TYR130B, TYR24A, TYR35B, VAL107A, VAL109B, VAL111B, VAL113B, VAL121A, VAL126B, VAL134B, VAL33B, VAL34B, VAL54B, VAL96A
• A-C: ALA120C, ALA123A, ALA123C, ALA130C, ALA5A, ALA5C, ARG141A, ARG141C, ASP6A, ASP6C, LEU2A, LEU2C, LYS127A, LYS127C, LYS139A, LYS139C, LYS99A, LYS99C, PRO4A, PRO4C, PRO77A, PRO77C, PRO95A, PRO95C, SER131A, SER131C, SER138A, SER138C, SER3A, SER3C, THR134A, THR134C, THR137A, THR137C, TYR140A, TYR140C, VAL135A, VAL135C, VAL1A, VAL1C, VAL96A, VAL96C
• A-D: ALA53D, ALA88A, ARG141A, ARG40D, ARG92A, ASN102D, ASN97A, ASP52D, ASP94A, ASP94D, ASP99D, CYS93D, GLN39D, GLU101D, GLU43D, HIS87A, HIS89A, HIS92D, HIS97D, LEU100A, LEU105D, LEU32D, LEU48D, LEU91A, LEU96D, LYS139A, LYS40A, LYS90A, LYS95D, LYS99A, PHE36A, PHE41D, PHE42D, PHE43A, PHE98A, PRO100D, PRO36D, PRO37A, PRO44A, PRO51D, PRO95A, SER138A, SER44D, SER49D, THR137A, THR38A, THR38D, THR39A, THR41A, THR50D, TRP37D, TYR145D, TYR35D, TYR42A, VAL33D, VAL34D, VAL54D, VAL93A, VAL96A, VAL98D
• B-C: ALA53B, ALA88C, ARG141C, ARG40B, ARG92C, ASN102B, ASN97C, ASP52B, ASP94B, ASP94C, ASP99B, CYS93B, GLN39B, GLU101B, GLU43B, HIS87C, HIS89C, HIS92B, HIS97B, LEU100C, LEU105B, LEU32B, LEU48B, LEU91C, LEU96B, LYS139C, LYS40C, LYS90C, LYS95B, LYS99C, PHE36C, PHE41B, PHE42B, PHE43C, PHE98C, PRO100B, PRO36B, PRO37C, PRO44C, PRO51B, PRO95C, SER138C, SER44B, SER49B, THR137C, THR38B, THR38C, THR39C, THR41C, THR50B, TRP37B, TYR145B, TYR35B, TYR42C, VAL33B, VAL34B, VAL54B, VAL93C, VAL96C, VAL98B
• B-D: ALA135B, ALA135D, ALA142B, ALA142D, ARG104B, ARG104D, ASN139B, ASN139D, ASP99B, ASP99D, GLU101B, GLU101D, GLY136B, GLY136D, HIS143B, HIS143D, HIS146B, HIS146D, HIS2B, HIS2D, LEU81B, LEU81D, LYS132B, LYS132D, LYS144B, LYS144D, LYS82B, LYS82D, PRO100B, PRO100D, TYR145B, TYR145D, VAL1B, VAL1D
• B-E: ALA19E, ALA21E, ALA53E, ARG40B, ASP64E, GLN39B, GLU23E, GLU43B, GLY18E, GLY22E, GLY46B, GLY57E, HIS20E, LEU96B, LYS56E, LYS59B, LYS60E, PHE45B, SER44B
• C-D: ALA110C, ALA111C, ALA115C, ALA115D, ALA120C, ALA123C, ALA128D, ALA129D, ALA130C, ALA135D, ALA26C, ALA27D, ALA28C, ARG104D, ARG30D, ARG31C, ASN108D, ASN97C, ASP126C, ASP52D, CYS104C, CYS112D, GLN127D, GLN131D, GLU101D, GLU116C, GLU121D, GLU23C, GLU26D, GLU27C, GLU30C, GLU7D, GLY107D, GLY119D, GLY29D, GLY56D, HIS103C, HIS112C, HIS116D, HIS117D, HIS122C, HIS20C, HIS50C, LEU100C, LEU105C, LEU105D, LEU106C, LEU109C, LEU110D, LEU113C, LEU114D, LEU125C, LEU29C, LEU31D, LEU32D, LEU34C, LYS120D, LYS127C, LYS132D, LYS99C, MET32C, MET55D, PHE117C, PHE118D, PHE122D, PHE33C, PHE36C, PRO114C, PRO119C, PRO124D, PRO125D, PRO36D, PRO37C, PRO51D, SER124C, SER35C, THR108C, THR118C, THR123D, THR50D, TRP37D, TYR130D, TYR24C, TYR35D, VAL107C, VAL109D, VAL111D, VAL113D, VAL121C, VAL126D, VAL134D, VAL33D, VAL34D, VAL54D, VAL96C
• C-E: ALA12E, ALA19E, ALA53C, ALA69E, ALA71E, ARG92C, ASN68E, ASP47C, ASP64E, ASP74E, ASP75E, GLN54C, GLY15E, GLY18E, HIS20E, HIS45C, HIS72E, LEU113E, LEU48C, LEU66E, LEU91C, LYS11E, LYS16E, LYS90C, PHE43C, PHE46C, PRO44C, SER49C, SER52C, THR67E, TRP14E, VAL10E, VAL17E, VAL70E, VAL73E
• E-F: ALA110E, ALA111E, ALA115E, ALA115F, ALA120E, ALA123E, ALA128F, ALA129F, ALA130E, ALA135F, ALA26E, ALA27F, ALA28E, ARG104F, ARG30F, ARG31E, ASN108F, ASN9E, ASP126E, ASP52F, CYS104E, CYS112F, GLN127F, GLN131F, GLU101F, GLU116E, GLU121F, GLU23E, GLU26F, GLU27E, GLU30E, GLU7F, GLY107F, GLY119F, GLY29F, HIS103E, HIS112E, HIS116F, HIS117F, HIS122E, HIS20E, HIS50E, LEU100E, LEU101E, LEU105E, LEU105F, LEU106E, LEU109E, LEU110F, LEU113E, LEU114F, LEU125E, LEU29E, LEU31F, LEU32F, LEU34E, LYS120F, LYS127E, LYS132F, LYS99E, MET32E, MET55F, PHE117E, PHE118F, PHE122F, PHE33E, PHE36E, PRO114E, PRO119E, PRO124F, PRO125F, PRO36F, PRO37E, PRO51F, SER102E, SER124E, SER35E, THR108E, THR118E, THR123F, THR50F, TRP37F, TYR130F, TYR24E, TYR35F, VAL107E, VAL109F, VAL111F, VAL113F, VAL121E, VAL126F, VAL134F, VAL33F, VAL34F, VAL54F, VAL96E
• E-G: ALA130E, ALA130G, ALA5E, ALA5G, ALA88E, ARG141E, ARG141G, ASN78E, ASN78G, ASP6E, ASP6G, LEU136E, LEU136G, LEU2E, LEU2G, LEU80E, LEU80G, LYS127E, LYS127G, LYS139E, LYS139G, LYS7E, LYS7G, LYS99E, LYS99G, MET76E, MET76G, PRO4E, PRO4G, PRO77E, PRO77G, SER131E, SER131G, SER133E, SER133G, SER138E, SER138G, SER3E, SER3G, SER81E, SER84E, SER84G, THR134E, THR134G, THR137E, THR137G, TYR140E, TYR140G, VAL132E, VAL135E, VAL135G, VAL1E, VAL1G
• E-H: ALA88E, ARG40H, ARG92E, ASN102H, ASN97E, ASP94E, ASP99H, CYS93H, GLN39H, GLU101H, GLU43H, GLY46H, HIS87E, HIS89E, HIS97H, LEU100E, LEU105H, LEU32H, LEU48H, LEU91E, LEU96H, LYS139E, LYS40E, LYS90E, LYS95H, LYS99E, PHE41H, PHE42H, PHE43E, PHE98E, PRO100H, PRO36H, PRO37E, PRO44E, PRO51H, PRO95E, SER138E, SER49H, THR137E, THR38E, THR38H, THR39E, THR41E, THR50H, TRP37H, TYR145H, TYR35H, TYR42E, VAL33H, VAL34H, VAL93E, VAL96E, VAL98H
• F-G: ALA88G, ARG104F, ARG40F, ARG92G, ASN102F, ASN97G, ASP94F, ASP94G, ASP99F, CYS93F, GLN39F, GLU101F, GLU43F, GLY46F, HIS87G, HIS89G, HIS97F, LEU100G, LEU105F, LEU32F, LEU48F, LEU91G, LEU96F, LYS139G, LYS40G, LYS90G, LYS95F, LYS99G, PHE41F, PHE42F, PHE43G, PRO100F, PRO36F, PRO37G, PRO44G, PRO51F, PRO95G, SER138G, SER49F, THR137G, THR38F, THR38G, THR39G, THR41G, THR50F, TRP37F, TYR145F, TYR35F, TYR42G, VAL33F, VAL93G, VAL96G, VAL98F
• F-H: ALA135F, ALA135H, ALA140F, ALA140H, ALA142F, ALA142H, ARG104H, ASN139F, ASN139H, GLU101F, GLU101H, GLY136F, GLY136H, HIS143F, HIS143H, HIS146F, HIS146H, HIS2F, HIS2H, LEU81F, LEU81H, LYS144F, LYS144H, LYS82F, LYS82H, PRO100F, PRO100H, TYR145F, TYR145H, VAL1F, VAL1H
• G-H: ALA110G, ALA111G, ALA115G, ALA115H, ALA120G, ALA123G, ALA128H, ALA129H, ALA130G, ALA135H, ALA26G, ALA27H, ALA28G, ARG104H, ARG30H, ARG31G, ASN108H, ASN9G, ASP126G, ASP52H, CYS104G, CYS112H, GLN127H, GLN131H, GLU101H, GLU116G, GLU121H, GLU23G, GLU26H, GLU27G, GLU30G, GLU7H, GLY107H, GLY119H, GLY29H, HIS103G, HIS112G, HIS116H, HIS117H, HIS122G, HIS20G, HIS50G, LEU100G, LEU101G, LEU105G, LEU105H, LEU106G, LEU109G, LEU110H, LEU113G, LEU114H, LEU125G, LEU29G, LEU31H, LEU32H, LEU34G, LYS120H, LYS127G, LYS132H, LYS99G, MET32G, MET55H, PHE117G, PHE118H, PHE122H, PHE33G, PHE36G, PHE98G, PRO114G, PRO119G, PRO124H, PRO125H, PRO36H, PRO37G, PRO51H, SER102G, SER124G, SER35G, THR108G, THR118G, THR123H, THR50H, TRP37H, TYR130H, TYR24G, TYR35H, VAL107G, VAL109H, VAL111H, VAL113H, VAL121G, VAL126H, VAL134H, VAL33H, VAL34H, VAL54H, VAL96G