2YRS

human hemoglobin d los angeles: crystal structure

• Total interactions analyzed: 28
• Total true interactions: 12
• Strongest Interaction:
  • Chains: I-M
  • Int. Res.: 48
  • Norm. En. per Res.: -3.5918
• 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	-23.4129	14.2727	-267.39	-276.5302	92	19	8	10071	0	16	17
A-C	-18.7085	-83.6341	-58.5867	-160.9293	49	1	0	2142	4	8	13
A-D	-22.3269	38.2485	-185.016	-169.0944	59	7	0	6805	0	21	19
B-C	-13.4646	32.6837	-177.22	-158.0009	59	14	0	7009	0	23	19
B-D	0.0	0.0	-1.6205	-1.6205	4	0	0	80	0	2	12
C-D	-14.9502	13.0768	-268.083	-269.9564	92	13	9	10126	0	16	18
I-K	-13.937	14.0151	-265.707	-265.6289	90	17	9	10150	0	15	18
I-M	-24.2954	-84.7967	-63.3138	-172.4059	48	2	0	2175	4	8	13
I-O	-27.152	35.1536	-189.958	-181.9564	61	8	0	7029	2	23	19
K-M	-31.0635	38.9637	-183.156	-175.2558	61	11	0	7015	1	21	19
K-O	0.0	0.0	-4.989	-4.989	13	0	0	253	0	2	12
M-O	-14.6542	13.941	-262.056	-262.7692	93	11	8	10051	0	16	18

Interface residues

• A-B: ALA110A, ALA111A, ALA115A, ALA116B, ALA120A, ALA123A, ALA129B, ALA130A, ALA130B, ALA136B, ALA26A, ALA28A, ALA28B, ARG105B, ARG31A, ARG31B, ASN109B, ASN9A, ASP126A, ASP53B, CYS104A, CYS113B, GLN122B, GLN128B, GLN132B, GLU102B, GLU116A, GLU27A, GLU27B, GLU30A, GLU8B, GLY108B, GLY120B, GLY30B, HIS103A, HIS112A, HIS117B, HIS118B, HIS122A, HIS50A, LEU100A, LEU105A, LEU106A, LEU106B, LEU107B, LEU109A, LEU111B, LEU113A, LEU115B, LEU125A, LEU29A, LEU32B, LEU33B, LEU34A, LYS121B, LYS127A, LYS133B, LYS99A, MET32A, MET56B, PHE117A, PHE119B, PHE123B, PHE33A, PHE36A, PRO114A, PRO119A, PRO125B, PRO126B, PRO37A, PRO37B, PRO52B, SER102A, SER124A, SER35A, THR108A, THR118A, THR124B, THR51B, TRP38B, TYR131B, TYR36B, VAL107A, VAL110B, VAL112B, VAL114B, VAL121A, VAL127B, VAL135B, VAL34B, VAL35B, VAL55B
• A-C: ALA123A, ALA123C, ALA130A, ALA130C, ARG141A, ARG141C, ASP126A, ASP126C, ASP6A, ASP6C, HIS122A, HIS122C, LEU106A, LEU106C, LEU125A, LEU125C, LEU129A, LEU129C, LEU2A, LEU2C, LYS127A, LYS127C, LYS139A, LYS139C, LYS99A, LYS99C, PHE128A, PHE128C, PRO95A, PRO95C, SER102C, SER124A, SER124C, SER131A, SER131C, SER138A, SER138C, SER3A, SER3C, THR134A, THR134C, THR137A, THR137C, TYR140A, TYR140C, VAL1A, VAL1C, VAL96A, VAL96C
• A-D: ALA143D, ALA88A, ARG105D, ARG141A, ARG41D, ARG92A, ASN103D, ASN97A, ASP100D, ASP94A, ASP95D, CYS94D, GLN40D, GLU102D, GLU44D, HIS147D, HIS45A, HIS87A, HIS89A, HIS93D, HIS98D, LEU100A, LEU106D, LEU32D, LEU34A, LEU49D, LEU91A, LEU97D, LYS139A, LYS40A, LYS90A, LYS96D, LYS99A, PHE104D, PHE33A, PHE36A, PHE42D, PHE43A, PHE43D, PRO101D, PRO37A, PRO37D, PRO44A, PRO95A, THR137A, THR38A, THR39A, THR39D, THR41A, TRP38D, TYR140A, TYR146D, TYR36D, TYR42A, VAL34D, VAL35D, VAL93A, VAL96A, VAL99D
• B-C: ALA143B, ALA88C, ARG105B, ARG141C, ARG41B, ARG92C, ASN103B, ASN97C, ASP100B, ASP94C, ASP95B, CYS94B, GLN40B, GLU102B, GLU44B, HIS147B, HIS45C, HIS87C, HIS89C, HIS93B, HIS98B, LEU100C, LEU106B, LEU32B, LEU34C, LEU48C, LEU49B, LEU91C, LEU97B, LYS139C, LYS40C, LYS90C, LYS96B, PHE104B, PHE33C, PHE36C, PHE42B, PHE43B, PHE43C, PRO101B, PRO37B, PRO37C, PRO44C, PRO95C, THR137C, THR38C, THR39B, THR39C, THR41C, TRP38B, TYR140C, TYR146B, TYR36B, TYR42C, VAL34B, VAL35B, VAL93C, VAL96C, VAL99B
• B-D: HIS144B, HIS3D, LYS145B, LYS83B
• C-D: ALA110C, ALA111C, ALA115C, ALA116D, ALA120C, ALA123C, ALA129D, ALA130C, ALA130D, ALA136D, ALA26C, ALA28C, ALA28D, ALA5C, ARG105D, ARG31C, ARG31D, ASN109D, ASN9C, ASP126C, ASP53D, CYS104C, CYS113D, GLN122D, GLN128D, GLN132D, GLU102D, GLU116C, GLU27C, GLU27D, GLU30C, GLU8D, GLY108D, GLY120D, GLY30D, HIS103C, HIS112C, HIS117D, HIS118D, HIS122C, HIS50C, LEU100C, LEU105C, LEU106C, LEU106D, LEU107D, LEU109C, LEU111D, LEU113C, LEU115D, LEU125C, LEU29C, LEU32D, LEU33D, LEU34C, LYS121D, LYS127C, LYS133D, LYS99C, MET32C, MET56D, PHE117C, PHE119D, PHE123D, PHE33C, PHE36C, PRO114C, PRO119C, PRO125D, PRO126D, PRO37C, PRO37D, PRO52D, SER102C, SER124C, SER35C, THR108C, THR118C, THR124D, TRP38D, TYR131D, TYR36D, VAL107C, VAL110D, VAL112D, VAL114D, VAL121C, VAL127D, VAL135D, VAL34D, VAL35D, VAL55D
• I-K: ALA110I, ALA111I, ALA115I, ALA116K, ALA120I, ALA123I, ALA129K, ALA130I, ALA130K, ALA136K, ALA26I, ALA28I, ALA28K, ARG105K, ARG31I, ARG31K, ASN109K, ASN9I, ASP126I, ASP53K, CYS104I, CYS113K, GLN122K, GLN128K, GLN132K, GLU102K, GLU116I, GLU27I, GLU27K, GLU30I, GLU8K, GLY108K, GLY120K, GLY30K, HIS103I, HIS112I, HIS117K, HIS118K, HIS122I, HIS50I, LEU100I, LEU105I, LEU106I, LEU106K, LEU109I, LEU111K, LEU113I, LEU115K, LEU125I, LEU29I, LEU32K, LEU33K, LEU34I, LYS121K, LYS127I, LYS133K, LYS99I, MET32I, MET56K, PHE117I, PHE119K, PHE123K, PHE33I, PHE36I, PRO114I, PRO119I, PRO125K, PRO126K, PRO37I, PRO37K, PRO52K, SER102I, SER124I, SER35I, THR108I, THR118I, THR124K, TRP38K, TYR131K, TYR36K, VAL107I, VAL110K, VAL112K, VAL114K, VAL121I, VAL127K, VAL135K, VAL34K, VAL35K, VAL55K
• I-M: ALA123I, ALA123M, ALA130I, ALA130M, ARG141I, ARG141M, ASP126I, ASP126M, ASP6I, ASP6M, HIS122I, HIS122M, LEU106I, LEU106M, LEU125I, LEU125M, LEU129I, LEU129M, LEU2I, LEU2M, LYS127I, LYS127M, LYS139I, LYS139M, LYS99I, LYS99M, PHE128I, PHE128M, PRO95I, SER102I, SER124I, SER124M, SER131I, SER131M, SER138I, SER138M, SER3I, SER3M, THR134I, THR134M, THR137I, THR137M, TYR140I, TYR140M, VAL1I, VAL1M, VAL96I, VAL96M
• I-O: ALA143O, ALA88I, ARG105O, ARG141I, ARG41O, ARG92I, ASN103O, ASN97I, ASP100O, ASP94I, ASP95O, CYS94O, GLN40O, GLU102O, GLU44O, GLY47O, HIS147O, HIS45I, HIS87I, HIS89I, HIS93O, HIS98O, LEU100I, LEU106O, LEU32O, LEU34I, LEU48I, LEU49O, LEU91I, LEU97O, LYS139I, LYS40I, LYS90I, LYS96O, LYS99I, PHE104O, PHE33I, PHE36I, PHE42O, PHE43I, PHE43O, PRO101O, PRO37I, PRO37O, PRO44I, PRO95I, THR137I, THR38I, THR39I, THR39O, THR41I, TRP38O, TYR140I, TYR146O, TYR36O, TYR42I, VAL34O, VAL35O, VAL93I, VAL96I, VAL99O
• K-M: ALA143K, ALA88M, ARG105K, ARG141M, ARG41K, ARG92M, ASN103K, ASN97M, ASP100K, ASP94M, ASP95K, CYS94K, GLN40K, GLU102K, GLU44K, HIS147K, HIS45M, HIS87M, HIS89M, HIS93K, HIS98K, LEU100M, LEU106K, LEU32K, LEU33K, LEU34M, LEU49K, LEU91M, LEU97K, LYS139M, LYS40M, LYS90M, LYS96K, LYS99M, PHE104K, PHE33M, PHE36M, PHE42K, PHE43K, PHE43M, PRO101K, PRO37K, PRO37M, PRO44M, PRO95M, SER50K, THR137M, THR38M, THR39K, THR39M, THR41M, TRP38K, TYR140M, TYR146K, TYR36K, TYR42M, VAL34K, VAL35K, VAL93M, VAL96M, VAL99K
• K-O: ALA143O, ASN140O, HIS144K, HIS144O, HIS147O, HIS3K, HIS3O, LYS133K, LYS145O, LYS83K, LYS83O, TYR146O, VAL2K
• M-O: ALA110M, ALA111M, ALA115M, ALA116O, ALA120M, ALA123M, ALA129O, ALA130M, ALA130O, ALA136O, ALA26M, ALA28M, ALA28O, ARG105O, ARG31M, ARG31O, ASN109O, ASN9M, ASP126M, ASP53O, CYS104M, CYS113O, GLN122O, GLN128O, GLN132O, GLU102O, GLU116M, GLU27M, GLU27O, GLU30M, GLU8O, GLY108O, GLY120O, GLY30O, GLY57O, HIS103M, HIS112M, HIS117O, HIS118O, HIS122M, HIS50M, LEU100M, LEU105M, LEU106M, LEU106O, LEU107O, LEU109M, LEU111O, LEU113M, LEU115O, LEU125M, LEU29M, LEU32O, LEU33O, LEU34M, LYS121O, LYS127M, LYS133O, LYS99M, MET32M, MET56O, PHE117M, PHE119O, PHE123O, PHE33M, PHE36M, PRO114M, PRO119M, PRO125O, PRO126O, PRO37M, PRO37O, PRO52O, SER102M, SER124M, SER35M, THR108M, THR118M, THR124O, THR51O, TRP38O, TYR131O, TYR36O, VAL107M, VAL110O, VAL112O, VAL114O, VAL121M, VAL127O, VAL135O, VAL34O, VAL35O, VAL55O