1X9F

hemoglobin dodecamer from lumbricus erythrocruorin

• Total interactions analyzed: 66
• Total true interactions: 27
• Strongest Interaction:
  • Chains: E-G
  • Int. Res.: 22
  • Norm. En. per Res.: -3.7774
• Hub Node: A(5)

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	-21.4985	-14.2239	612.731	577.0086	54	13	8	4992	2	16	15
A-C	-7.0769	-11.671	-63.3909	-82.1388	22	4	0	2163	2	10	8
A-D	-18.562	29.3745	-306.56	-295.7475	116	8	4	12571	4	34	43
A-G	-33.0514	-40.8369	612.563	538.6747	61	17	4	6162	6	36	40
A-H	0.0	0.0	-0.3122	-0.3122	7	0	0	46	0	2	0
B-C	-44.9282	-14.8226	-230.423	-290.1739	112	12	6	10254	8	58	50
C-D	-15.4723	-23.0333	-104.414	-142.9196	50	4	3	4772	1	18	17
C-I	-44.3067	-28.4548	633.998	561.2365	58	18	3	5868	6	37	39
C-L	0.0	0.0	-0.0012	-0.0012	2	0	0	3	0	3	0
D-G	0.0	0.0	-0.0009	-0.0009	2	0	0	2	0	3	0
D-H	-5.0308	-29.0677	-89.6514	-123.7499	42	0	2	3277	3	22	28
D-I	0.0	0.0	-0.4225	-0.4225	7	0	0	53	0	2	0
D-L	-10.8344	-33.982	-90.5735	-135.3899	44	1	2	3318	3	22	28
E-F	-20.0538	-16.4084	-93.2172	-129.6794	54	15	7	5033	2	16	14
E-G	-4.8569	-13.4004	-64.8448	-83.102	22	8	0	2231	2	10	9
E-H	-20.0021	16.8267	-289.625	-292.8004	114	5	3	12105	4	33	42
E-K	-32.7952	-55.058	602.166	514.3128	59	13	4	6253	6	35	41
E-L	0.0	0.0	-0.3387	-0.3387	7	0	0	50	0	2	0
F-G	-45.8243	-22.205	-227.922	-295.9513	113	9	6	10119	8	58	51
G-H	-15.9857	-22.3247	-107.124	-145.4344	50	3	4	4934	1	18	17
H-K	0.0	0.0	-0.0009	-0.0009	2	0	0	2	0	3	0
H-L	-10.7075	-24.5787	-95.5223	-130.8085	44	3	2	3464	3	23	28
I-J	-25.6747	-12.3897	556.886	518.8216	55	12	7	4892	1	16	16
I-K	-9.2022	-11.4258	-53.9742	-74.6022	22	3	0	2073	2	10	8
I-L	-18.8635	27.1829	-318.308	-309.9886	117	8	4	12833	4	34	45
J-K	-47.1719	-14.9853	-243.759	-305.9162	117	18	6	10708	8	59	54
K-L	-11.5812	-19.693	-94.0819	-125.3561	49	2	3	4529	0	17	17

Interface residues

• A-B: ALA118A, ALA129B, ALA33A, ALA37A, ARG121A, ARG123B, ARG127B, ARG18B, ARG30A, ARG31A, ARG36A, ASP126B, ASP20A, ASP21A, ASP29A, ASP40A, ASP41A, ASP80B, CYS124B, CYS129A, GLN125A, GLN81B, GLU15B, GLU8B, GLY122B, GLY5B, GLY9B, HIS17A, ILE18A, ILE34A, LEU10B, LEU121B, LEU123A, LEU127A, LEU7B, LYS11B, LYS13B, LYS2B, PHE130A, PRO124A, SER128A, SER14B, SER24A, SER25A, TRP130B, TYR125B, VAL122A, VAL126A, VAL12B, VAL22A, VAL32A, VAL35A, VAL38A, VAL6B
• A-C: ARG24C, ARG30A, ARG31A, ASP20A, ASP21A, ASP25C, ASP29A, GLU27C, GLY34C, ILE31C, LEU22C, LYS30C, LYS32C, PHE27A, SER24A, SER25A, SER26A, SER28C, THR26C, THR28A, TRP23A, VAL22A
• A-D: ALA15D, ALA21D, ALA26D, ALA61D, ALA74A, ALA84D, ALA85D, ALA88D, ARG104A, ARG16A, ARG24D, ARG31A, ARG36A, ARG48D, ARG50D, ARG55A, ARG65D, ARG72A, ARG97D, ASN75A, ASN82A, ASP20A, ASP29A, ASP71D, ASP78D, ASP81D, ASP85A, ASP86A, ASP99A, GLN100A, GLN103A, GLN13D, GLN64D, GLN86D, GLN91A, GLN93D, GLU23D, GLU58D, GLU62A, GLU65A, GLY19D, GLY60D, GLY64A, GLY69D, GLY76A, GLY95A, HIS20D, HIS22D, HIS62D, HIS69A, HIS89D, HIS93A, HIS96A, ILE72D, ILE74D, ILE81A, LEU12D, LEU67D, LEU70A, LEU70D, LEU77A, LEU77D, LEU79A, LEU80A, LEU83A, LEU83D, LEU84A, LEU87D, LEU88A, LEU8D, LEU90A, LEU90D, LEU94A, LEU97A, LYS11D, LYS57A, LYS67A, LYS78A, MET76D, MET82D, PHE18D, PHE27A, PHE59D, PHE66A, PRO57D, PRO80D, SER24A, SER25A, SER26A, SER56D, SER63A, SER63D, SER68A, SER68D, SER75D, SER7D, SER92A, THR28A, THR73D, THR79D, THR87A, TRP14D, TRP19A, TRP23A, TYR55D, VAL10D, VAL25D, VAL32A, VAL49D, VAL4D, VAL56A, VAL66D, VAL71A, VAL73A, VAL89A, VAL92D
• A-G: ALA121G, ALA133G, ALA134A, ALA135G, ARG12A, ARG137A, ARG13A, ARG13G, ARG141A, ASN131A, ASP11A, ASP11G, ASP129G, ASP130G, ASP132G, ASP133A, ASP5A, ASP5A5, ASP85A, ASP86A, CB6.79267-6.10191, CB6.94268-35.61978, CYS138A, CYS6A, CYS6G, CYS7A, CYS7G, GLN126G, GLN18G, GLN91A, GLU10A, GLU10G, GLU4G, GLU9G, HIS12G, HIS3G, HIS5G, ILE14G, LEU124G, LEU128G, LEU134G, LEU142A, LEU83A, LEU84A, LEU88A, LEU90A, LEU94A, LYS137G, LYS141G, LYS17G, PRO125G, SER138G, SER8A, SER8G, THR122G, THR87A, TRP136G, TYR131G, TYR9A, VAL15G, VAL89A
• A-H: ASP85A, ASP86A, HIS122H, LEU88A, LYS9H, THR121H, VAL89A
• B-C: ALA60B, ALA63B, ALA65B, ALA69C, ALA71C, ALA75B, ALA81C, ALA83B, ALA90C, ALA93C, ALA94C, ARG105C, ARG18B, ARG26B, ARG50B, ARG56C, ARG67B, ARG73C, ARG99B, ASN76C, ASN83C, ASP20C, ASP58C, ASP66B, ASP73B, ASP79C, ASP80B, ASP86C, ASP87C, ASP90B, ASP92C, ASP96C, GLN101C, GLN16C, GLN31B, GLN81B, GLN95B, GLU15B, GLU27B, GLU27C, GLU63C, GLU87B, GLU88B, GLY17B, GLY21B, GLY23B, GLY64C, GLY70B, GLY71B, GLY77C, HIS100C, HIS12C, HIS24B, HIS58B, HIS64B, HIS70C, HIS91B, HIS97C, ILE31C, ILE33C, ILE62B, ILE74B, ILE74C, ILE76B, ILE82C, LEU10B, LEU69B, LEU72B, LEU72C, LEU75C, LEU78C, LEU79B, LEU80C, LEU84C, LEU85B, LEU85C, LEU89B, LEU91C, LEU92B, LEU95C, LEU98C, LYS13B, LYS30C, LYS32C, LYS66C, LYS86B, PHE61B, PHE67C, PRO59B, PRO65C, PRO82B, PRO88C, PRO89C, SER14B, SER22B, SER28C, SER29C, SER30B, SER57B, SER68C, SER77B, THR26C, THR78B, THR84B, TRP16B, TRP19C, TRP23C, TYR20B, VAL51B, VAL57C, VAL68B, VAL94B
• C-D: ALA127D, ALA15D, ARG24C, ARG37C, ASP124D, ASP129C, ASP130C, ASP25C, ASP78D, GLN126C, GLN13D, GLN18C, GLU27C, GLU6D, GLY123C, GLY34C, GLY36C, HIS122D, ILE21C, ILE31C, ILE33C, LEU119D, LEU124C, LEU128C, LEU12D, LEU22C, LEU38C, LEU39C, LEU3D, LEU8D, LYS11D, LYS30C, LYS32C, LYS42C, LYS9D, PHE123D, PHE35C, PRO125C, SER16D, SER28C, SER7D, THR121D, THR122C, THR5D, THR79D, TRP23C, TYR131C, VAL10D, VAL127C, VAL4D
• C-I: ALA121C, ALA133C, ALA134I, ALA135C, ARG12I, ARG137I, ARG13C, ARG13I, ARG141I, ASN131I, ASP11C, ASP11I, ASP129C, ASP130C, ASP132C, ASP133I, ASP5I, ASP85I, ASP86I, CYS138I, CYS6C, CYS6I, CYS7C, CYS7I, GLN126C, GLN18C, GLN91I, GLU10C, GLU10I, GLU4C, GLU9C, HIS12C, HIS3C, HIS5C, ILE14C, LEU124C, LEU128C, LEU134C, LEU142I, LEU83I, LEU84I, LEU88I, LEU90I, LEU94I, LYS137C, LYS141C, LYS17C, PRO125C, SER138C, SER8C, SER8I, THR122C, THR87I, TRP136C, TYR131C, TYR9I, VAL15C, VAL89I
• C-L: PRO125C, PRO57L
• D-G: PRO125G, PRO57D
• D-H: ALA127H, ALA26D, ARG118H, ARG24D, ARG33D, ARG50D, ASN53D, ASP117H, ASP124H, ASP34D, ASP37D, ASP52D, GLU23D, GLU30D, GLY116H, GLY120H, GLY126H, GLY51D, GLY60D, HIS110H, HIS113H, HIS122H, HIS129H, HIS22D, ILE54D, LEU111H, LEU112H, LEU115H, LEU119H, LEU29D, LYS109H, LYS43D, PHE123H, PHE125H, PHE27D, PRO40D, SER56D, THR121H, TRP128H, TYR55D, VAL114H, VAL25D
• D-I: ASP85I, ASP86I, HIS122D, LEU88I, LYS9D, THR121D, VAL89I
• D-L: ALA127D, ALA26L, ARG118D, ARG24L, ARG33L, ARG50L, ASN53L, ASP117D, ASP124D, ASP130D, ASP34L, ASP37L, ASP38L, ASP52L, GLU23L, GLU30L, GLY116D, GLY120D, GLY126D, GLY51L, GLY60L, HIS110D, HIS113D, HIS122D, HIS129D, HIS22L, ILE54L, LEU111D, LEU112D, LEU115D, LEU119D, LEU29L, LYS109D, LYS43L, PHE123D, PHE125D, PHE27L, PRO40L, SER56L, THR121D, TRP128D, TYR55L, VAL114D, VAL25L
• E-F: ALA118E, ALA129F, ALA33E, ALA37E, ARG121E, ARG123F, ARG127F, ARG18F, ARG30E, ARG31E, ARG36E, ASP126F, ASP20E, ASP21E, ASP29E, ASP40E, ASP41E, ASP80F, CYS124F, CYS129E, GLN125E, GLN81F, GLU15F, GLU8F, GLY122F, GLY5F, GLY9F, HIS17E, ILE18E, ILE34E, LEU10F, LEU121F, LEU123E, LEU127E, LEU7F, LYS11F, LYS13F, LYS2F, PHE130E, PRO124E, SER128E, SER14F, SER24E, SER25E, TRP130F, TYR125F, VAL122E, VAL126E, VAL12F, VAL22E, VAL32E, VAL35E, VAL38E, VAL6F
• E-G: ARG24G, ARG30E, ARG31E, ASP20E, ASP21E, ASP25G, ASP29E, GLU27G, GLY34G, ILE31G, LEU22G, LYS30G, LYS32G, PHE27E, SER24E, SER25E, SER26E, SER28G, THR26G, THR28E, TRP23E, VAL22E
• E-H: ALA15H, ALA21H, ALA26H, ALA61H, ALA74E, ALA84H, ALA85H, ALA88H, ARG104E, ARG16E, ARG24H, ARG31E, ARG36E, ARG48H, ARG55E, ARG65H, ARG72E, ARG97H, ASN75E, ASN82E, ASP20E, ASP29E, ASP71H, ASP78H, ASP81H, ASP85E, ASP86E, ASP99E, GLN100E, GLN103E, GLN13H, GLN64H, GLN86H, GLN91E, GLN93H, GLU23H, GLU58H, GLU62E, GLU65E, GLY19H, GLY60H, GLY64E, GLY69H, GLY76E, GLY95E, HIS20H, HIS22H, HIS62H, HIS69E, HIS89H, HIS93E, HIS96E, ILE72H, ILE74H, ILE81E, LEU12H, LEU67H, LEU70E, LEU70H, LEU77H, LEU79E, LEU80E, LEU83E, LEU83H, LEU84E, LEU87H, LEU88E, LEU8H, LEU90E, LEU90H, LEU94E, LEU97E, LYS11H, LYS57E, LYS67E, LYS78E, MET76H, MET82H, PHE18H, PHE27E, PHE59H, PHE66E, PRO57H, PRO80H, SER24E, SER25E, SER26E, SER56H, SER63E, SER63H, SER68E, SER68H, SER75H, SER7H, SER92E, THR28E, THR73H, THR79H, THR87E, TRP14H, TRP19E, TRP23E, TYR55H, VAL10H, VAL25H, VAL32E, VAL49H, VAL4H, VAL56E, VAL66H, VAL71E, VAL73E, VAL89E, VAL92H
• E-K: ALA121K, ALA133K, ALA134E, ALA135K, ARG12E, ARG137E, ARG13E, ARG13K, ARG141E, ARG145E, ASN131E, ASP11E, ASP11K, ASP129K, ASP130K, ASP132K, ASP133E, ASP5E, ASP85E, ASP86E, CYS138E, CYS6E, CYS6K, CYS7E, CYS7K, GLN126K, GLN18K, GLN91E, GLU10E, GLU10K, GLU4K, GLU9K, HIS12K, HIS3K, HIS5K, ILE14K, LEU124K, LEU128K, LEU134K, LEU142E, LEU83E, LEU84E, LEU88E, LEU90E, LEU94E, LYS137K, LYS141K, LYS17K, PRO125K, SER138K, SER8E, SER8K, THR122K, THR87E, TRP136K, TYR131K, TYR9E, VAL15K, VAL89E
• E-L: ASP85E, ASP86E, HIS122L, LEU88E, LYS9L, THR121L, VAL89E
• F-G: ALA60F, ALA63F, ALA65F, ALA69G, ALA71G, ALA75F, ALA81G, ALA83F, ALA90G, ALA93G, ALA94G, ARG105G, ARG18F, ARG26F, ARG50F, ARG56G, ARG67F, ARG73G, ARG99F, ASN76G, ASN83G, ASP20G, ASP25G, ASP58G, ASP66F, ASP73F, ASP79G, ASP80F, ASP86G, ASP87G, ASP90F, ASP92G, ASP96G, GLN101G, GLN16G, GLN31F, GLN81F, GLN95F, GLU15F, GLU27F, GLU27G, GLU63G, GLU87F, GLU88F, GLU9G, GLY17F, GLY21F, GLY23F, GLY64G, GLY70F, GLY71F, GLY77G, HIS100G, HIS12G, HIS24F, HIS58F, HIS64F, HIS70G, HIS91F, HIS97G, ILE33G, ILE62F, ILE74F, ILE74G, ILE76F, ILE82G, LEU10F, LEU69F, LEU72F, LEU72G, LEU75G, LEU78G, LEU79F, LEU80G, LEU84G, LEU85F, LEU85G, LEU89F, LEU91G, LEU92F, LEU95G, LEU98G, LYS13F, LYS30G, LYS32G, LYS66G, LYS86F, PHE61F, PHE67G, PRO59F, PRO65G, PRO82F, PRO88G, PRO89G, SER14F, SER22F, SER28G, SER29G, SER30F, SER57F, SER68G, SER77F, THR26G, THR78F, THR84F, TRP16F, TRP19G, TRP23G, TYR20F, VAL51F, VAL57G, VAL68F, VAL94F
• G-H: ALA127H, ALA15H, ARG24G, ARG37G, ASP124H, ASP129G, ASP130G, ASP25G, ASP78H, GLN126G, GLN13H, GLU27G, GLU6H, GLY123G, GLY34G, GLY36G, HIS122H, ILE21G, ILE31G, ILE33G, LEU119H, LEU124G, LEU128G, LEU12H, LEU22G, LEU38G, LEU39G, LEU3H, LEU8H, LYS11H, LYS30G, LYS32G, LYS42G, LYS9H, PHE123H, PHE35G, PRO125G, SER16H, SER28G, SER7H, THR121H, THR122G, THR41G, THR5H, THR79H, TRP23G, TYR131G, VAL10H, VAL127G, VAL4H
• H-K: PRO125K, PRO57H
• H-L: ALA127L, ALA26H, ARG118L, ARG24H, ARG33H, ARG50H, ASN53H, ASP117L, ASP124L, ASP34H, ASP34L, ASP37H, ASP52H, GLU23H, GLU30H, GLY116L, GLY120L, GLY126L, GLY28H, GLY51H, GLY60H, HIS110L, HIS113L, HIS122L, HIS129L, HIS22H, ILE54H, LEU111L, LEU112L, LEU115L, LEU119L, LEU29H, LYS109L, LYS43H, PHE123L, PHE125L, PHE27H, PRO40H, SER56H, THR121L, TRP128L, TYR55H, VAL114L, VAL25H
• I-J: ALA118I, ALA129J, ALA33I, ALA37I, ARG121I, ARG123J, ARG127J, ARG18J, ARG30I, ARG31I, ARG36I, ASP126J, ASP20I, ASP21I, ASP29I, ASP40I, ASP41I, ASP80J, CYS124J, CYS129I, GLN125I, GLN3J, GLN81J, GLU15J, GLU8J, GLY122J, GLY5J, GLY9J, HIS17I, ILE18I, ILE34I, LEU10J, LEU121J, LEU123I, LEU127I, LEU7J, LYS11J, LYS13J, LYS2J, PHE130I, PRO124I, SER128I, SER14J, SER24I, SER25I, TRP130J, TYR125J, VAL122I, VAL126I, VAL12J, VAL22I, VAL32I, VAL35I, VAL38I, VAL6J
• I-K: ALA33I, ARG24K, ARG30I, ARG31I, ASP20I, ASP21I, ASP25K, ASP29I, GLU27K, GLY34K, ILE31K, LEU22K, LYS30K, PHE27I, SER24I, SER25I, SER26I, SER28K, THR26K, THR28I, TRP23I, VAL22I
• I-L: ALA15L, ALA21L, ALA26L, ALA61L, ALA74I, ALA84L, ALA85L, ALA88L, ARG104I, ARG16I, ARG24L, ARG31I, ARG36I, ARG48L, ARG50L, ARG55I, ARG65L, ARG72I, ARG97L, ASN75I, ASN82I, ASP20I, ASP29I, ASP71L, ASP78L, ASP81L, ASP85I, ASP86I, ASP99I, GLN100I, GLN103I, GLN13L, GLN64L, GLN86L, GLN91I, GLN93L, GLU23L, GLU58L, GLU62I, GLU65I, GLY19L, GLY60L, GLY64I, GLY69L, GLY76I, GLY95I, HIS20L, HIS22L, HIS62L, HIS69I, HIS89L, HIS93I, HIS96I, ILE72L, ILE74L, ILE81I, LEU12L, LEU67L, LEU70I, LEU70L, LEU77I, LEU77L, LEU79I, LEU80I, LEU83I, LEU83L, LEU84I, LEU87L, LEU88I, LEU8L, LEU90I, LEU90L, LEU94I, LEU97I, LYS11L, LYS57I, LYS67I, LYS78I, MET76L, MET82L, PHE18L, PHE27I, PHE59L, PHE66I, PRO57L, PRO80L, SER16L, SER24I, SER25I, SER26I, SER56L, SER63I, SER63L, SER68I, SER68L, SER75L, SER7L, SER92I, THR28I, THR73L, THR79L, THR87I, TRP14L, TRP19I, TRP23I, TYR55L, VAL10L, VAL25L, VAL32I, VAL49L, VAL4L, VAL56I, VAL66L, VAL71I, VAL73I, VAL89I, VAL92L
• J-K: ALA60J, ALA63J, ALA65J, ALA69K, ALA71K, ALA75J, ALA81K, ALA83J, ALA90K, ALA93K, ALA94K, ALA99K, ARG105K, ARG18J, ARG24K, ARG26J, ARG50J, ARG56K, ARG67J, ARG73K, ARG99J, ASN76K, ASN83K, ASP20K, ASP25J, ASP25K, ASP58K, ASP66J, ASP73J, ASP79K, ASP80J, ASP86K, ASP87K, ASP90J, ASP92K, ASP96K, GLN101K, GLN16K, GLN31J, GLN81J, GLN95J, GLU15J, GLU27J, GLU27K, GLU63K, GLU87J, GLU88J, GLU9K, GLY17J, GLY21J, GLY23J, GLY64K, GLY70J, GLY71J, GLY77K, HIS100K, HIS12K, HIS24J, HIS58J, HIS64J, HIS70K, HIS91J, HIS97K, ILE31K, ILE33K, ILE62J, ILE74J, ILE74K, ILE76J, ILE82K, LEU10J, LEU69J, LEU72J, LEU72K, LEU75K, LEU78K, LEU79J, LEU80K, LEU84K, LEU85J, LEU85K, LEU89J, LEU91K, LEU92J, LEU95K, LEU98K, LYS13J, LYS30K, LYS32K, LYS66K, LYS86J, PHE61J, PHE67K, PRO59J, PRO65K, PRO82J, PRO88K, PRO89K, SER14J, SER22J, SER28K, SER29K, SER30J, SER57J, SER68K, SER77J, THR26K, THR78J, THR84J, TRP16J, TRP19K, TRP23K, TYR20J, VAL51J, VAL57K, VAL68J, VAL94J
• K-L: ALA127L, ALA15L, ARG24K, ARG37K, ASP124L, ASP129K, ASP130K, ASP25K, ASP78L, GLN126K, GLN13L, GLU27K, GLU6L, GLY123K, GLY34K, GLY36K, HIS122L, ILE21K, ILE31K, ILE33K, LEU119L, LEU124K, LEU128K, LEU12L, LEU22K, LEU38K, LEU39K, LEU3L, LEU8L, LYS11L, LYS30K, LYS32K, LYS42K, LYS9L, PHE123L, PHE35K, PRO125K, SER16L, SER28K, SER7L, THR121L, THR122K, THR5L, THR79L, TRP23K, TYR131K, VAL10L, VAL127K, VAL4L