3LHB

the 2.7 angstrom crystal structure of deoxygenated hemoglobin from the sea lamprey (petromyzon marinus)

• Total interactions analyzed: 66
• Total true interactions: 25
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 26
  • Norm. En. per Res.: -6.4336
• Hub Node: C(4)

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	-14.724	9.7463	-140.311	-145.2887	60	9	4	4817	4	30	24
A-C	0.0	0.8143	-0.7138	0.1005	21	0	2	292	0	11	11
A-H	0.0	0.0	-0.0028	-0.0028	4	0	0	4	0	1	0
B-C	-23.6525	8.4561	-71.9255	-87.1219	42	8	0	3710	0	17	18
B-D	-13.111	58.029	-53.3256	-8.4075	34	20	2	2751	0	14	10
B-G	0.0	0.0	-2.5662	-2.5662	10	0	0	250	0	6	4
B-H	0.0	1.4251	-0.6775	0.7476	7	0	0	155	0	5	4
C-D	-16.9466	26.7324	-152.632	-142.8461	60	5	4	4905	4	31	25
C-E	-8.8357	3.3925	-97.2564	-102.6996	57	3	0	4319	0	15	14
C-G	-27.6291	-44.7112	-43.9111	-116.2514	24	2	0	2021	8	14	22
C-H	-3.1534	3.3397	-98.5611	-98.3748	56	2	0	4219	0	15	14
D-E	-51.8251	-56.6023	-58.8463	-167.2737	26	8	0	2245	8	14	23
D-F	-15.8559	3.4934	-97.0463	-109.4088	59	8	0	4427	0	14	14
D-G	-2.6436	3.4354	-84.601	-83.8092	53	4	0	3891	0	12	11
E-F	-17.2969	12.9693	-146.321	-150.6486	60	8	4	4905	4	31	24
E-G	-10.4042	8.2334	-16.0649	-18.2357	30	34	0	2244	0	2	10
G-H	-18.1869	10.1347	-145.684	-153.7363	59	6	4	4846	4	31	24
G-I	0.0	1.0056	-4.9968	-3.9912	13	0	0	354	1	7	7
H-I	0.0	0.0	-0.2052	-0.2052	4	0	0	23	0	0	2
H-L	0.0	0.0	-0.0206	-0.0206	3	0	0	17	0	1	2
I-J	-11.3035	21.6925	-151.432	-141.043	60	3	4	4915	4	30	26
I-K	0.0	0.0	-0.0379	-0.0379	7	0	0	19	0	2	1
J-K	0.0	-1.9883	-6.4589	-8.4472	19	0	0	552	0	17	13
J-L	0.0	0.0	-6.968	-6.968	16	5	0	557	0	3	3
K-L	-11.4575	10.544	-135.354	-136.2675	58	7	4	4659	4	30	23

Interface residues

• A-B: ALA24B, ALA68A, ALA68B, ALA74A, ALA74B, ALA80A, ALA80B, ARG71A, ARG71B, ARG76A, ARG76B, ASN100A, ASN100B, ASN79A, ASN79B, ASP69A, ASP69B, ASP82A, ASP82B, ASP83A, ASP83B, GLU31A, GLU31B, GLU75A, GLU75B, HIS73A, HIS73B, ILE77A, ILE77B, ILE78A, ILE78B, LYS104A, LYS104B, LYS54A, LYS54B, LYS66A, LYS66B, LYS93A, LYS93B, LYS97A, LYS97B, SER28A, SER28B, SER33B, SER67A, SER67B, THR29A, THR29B, THR32A, THR32B, TRP72A, TRP72B, TYR27A, TYR27B, TYR30A, TYR30B, VAL35A, VAL35B, VAL70A, VAL70B
• A-C: ALA132C, ALA13C, ALA14C, ALA24A, ALA86A, ARG20A, ASP131C, ASP82A, ASP89A, ASP90A, GLU15C, LYS18C, LYS93A, SER12C, SER21A, SER28A, SER87A, THR17C, TRP23A, TYR27A, VAL85A
• A-H: GLU50H, LYS56H, PRO25A, SER28A
• B-C: ALA13C, ALA14C, ALA22C, ALA24C, ALA68B, ALA84C, ALA86C, ARG20C, ASP69B, ASP82C, ASP83C, ASP89C, ASP90C, GLN110B, GLU50B, GLU63B, GLY57B, ILE19C, LEU58B, LYS16C, LYS18C, LYS54B, LYS56B, LYS93C, MET88C, PHE134C, PHE51B, PHE52B, PHE55B, PRO25C, PRO53B, SER21C, SER28C, SER67B, SER87C, THR17C, THR59B, TRP23C, TYR27C, VAL127C, VAL26C, VAL85C
• B-D: ALA47B, ALA48B, ALA68D, ARG71D, ASP112B, ASP62D, ASP69D, GLN49B, GLU114B, GLU50B, GLU63D, GLY57D, LEU58D, LEU64D, LYS54D, LYS56D, LYS66D, PHE42B, PHE51B, PHE52D, PHE55D, PRO113B, PRO46B, PRO53D, SER44B, SER67D, THR43B, THR45B, THR59B, THR59D, THR60D, TYR115B, VAL118B, VAL70D
• B-G: ALA61B, ALA86G, ARG20G, ASP89G, ASP90G, GLU63B, MET88G, SER87G, THR59B, THR60B
• B-H: GLU63B, GLY57H, LYS54H, LYS56H, LYS66B, PRO53H, SER67B
• C-D: ALA24D, ALA68C, ALA68D, ALA74C, ALA74D, ALA80C, ALA80D, ARG71C, ARG71D, ARG76C, ARG76D, ASN100C, ASN100D, ASN79C, ASN79D, ASP69C, ASP69D, ASP82C, ASP82D, ASP83C, ASP83D, GLU31C, GLU31D, GLU75C, GLU75D, HIS73C, HIS73D, ILE77C, ILE77D, ILE78C, ILE78D, LYS104C, LYS104D, LYS54C, LYS54D, LYS66C, LYS66D, LYS93C, LYS93D, LYS97C, LYS97D, PHE109C, SER28C, SER28D, SER67C, SER67D, THR29C, THR29D, THR32C, THR32D, TRP72C, TRP72D, TYR27C, TYR27D, TYR30C, TYR30D, VAL35C, VAL35D, VAL70C, VAL70D
• C-E: ALA106C, ALA13E, ALA148C, ALA148E, ALA9E, ARG146E, ARG76C, ARG99E, ASN100C, ASP112C, ASP4E, ASP89E, ASP90E, CYS142E, GLN110C, GLU50C, GLU92E, GLY103C, GLY6E, HIS105C, ILE141E, ILE143E, LEU101C, LEU11E, LEU137E, LEU144E, LEU145E, LYS104C, LYS107C, LYS136E, LYS16E, LYS54C, LYS56C, LYS93E, MET140E, MET94E, MET96E, PHE109C, PHE51C, PHE52C, PRO10E, PRO113C, PRO53C, SER102C, SER102E, SER108C, SER12E, SER139E, SER147E, SER7E, SER95E, THR5E, THR91E, TYR149C, TYR149E, VAL111C, VAL8E
• C-G: ASN100C, ASN100G, ASP83C, ASP83G, ASP90C, ASP90G, GLU92C, GLU92G, LEU98C, LEU98G, LYS93C, LYS93G, LYS97C, LYS97G, MET94C, MET94G, MET96C, MET96G, SER87C, SER87G, SER95C, SER95G, THR91C, THR91G
• C-H: ALA106H, ALA13C, ALA148C, ALA148H, ALA9C, ARG146C, ARG76H, ARG99C, ASN100H, ASP112H, ASP4C, ASP89C, ASP90C, CYS142C, GLN110H, GLU50H, GLU92C, GLY103H, GLY6C, HIS105H, ILE143C, LEU101H, LEU11C, LEU137C, LEU144C, LEU145C, LYS104H, LYS107H, LYS136C, LYS16C, LYS54H, LYS56H, LYS93C, MET140C, MET88C, MET94C, MET96C, PHE109H, PHE51H, PRO10C, PRO113H, PRO53H, SER102H, SER108H, SER12C, SER139C, SER147C, SER147H, SER7C, SER95C, THR5C, THR91C, TYR149C, TYR149H, VAL111H, VAL8C
• D-E: ASN100D, ASN100E, ASP83D, ASP83E, ASP89D, ASP89E, ASP90D, ASP90E, GLU92D, GLU92E, LEU98D, LEU98E, LYS93D, LYS93E, LYS97D, LYS97E, MET94D, MET94E, MET96D, MET96E, SER87D, SER87E, SER95D, SER95E, THR91D, THR91E
• D-F: ALA106F, ALA13D, ALA148D, ALA148F, ALA9D, ARG146D, ARG76F, ARG99D, ASN100F, ASP112F, ASP4D, ASP89D, ASP90D, CYS142D, GLN110F, GLU50F, GLU92D, GLY103F, GLY6D, HIS105F, ILE143D, LEU101F, LEU11D, LEU137D, LEU144D, LEU145D, LEU98D, LYS104F, LYS107F, LYS136D, LYS16D, LYS54F, LYS56F, LYS93D, MET140D, MET88D, MET94D, MET96D, PHE109F, PHE51F, PHE52F, PRO10D, PRO113F, PRO53F, SER102D, SER102F, SER108F, SER12D, SER139D, SER147D, SER147F, SER7D, SER95D, THR5D, THR91D, TYR149D, TYR149F, VAL111F, VAL8D
• D-G: ALA106D, ALA13G, ALA148D, ALA148G, ALA9G, ARG146G, ARG76D, ARG99G, ASN100D, ASP112D, ASP4G, ASP89G, CYS142G, GLN110D, GLU50D, GLU92G, GLY103D, GLY6G, HIS105D, ILE143G, LEU101D, LEU11G, LEU137G, LEU144G, LEU145G, LYS104D, LYS107D, LYS136G, LYS16G, LYS54D, LYS56D, LYS93G, MET140G, MET88G, MET94G, MET96G, PHE109D, PHE51D, PRO10G, PRO113D, PRO53D, SER102D, SER108D, SER139G, SER147G, SER7G, SER95G, THR5G, THR91G, TYR149D, TYR149G, VAL111D, VAL8G
• E-F: ALA24E, ALA68E, ALA68F, ALA74E, ALA74F, ALA80E, ALA80F, ARG71E, ARG71F, ARG76E, ARG76F, ASN100E, ASN100F, ASN79E, ASN79F, ASP69E, ASP69F, ASP82E, ASP82F, ASP83E, ASP83F, GLU31E, GLU31F, GLU75E, GLU75F, HIS73E, HIS73F, ILE77E, ILE77F, ILE78E, ILE78F, LYS104E, LYS104F, LYS54E, LYS54F, LYS66E, LYS66F, LYS93E, LYS93F, LYS97E, LYS97F, PHE109F, SER28E, SER28F, SER67E, SER67F, THR29E, THR29F, THR32E, THR32F, TRP72E, TRP72F, TYR27E, TYR27F, TYR30E, TYR30F, VAL35E, VAL35F, VAL70E, VAL70F
• E-G: ALA106E, ALA106G, ALA148E, ALA148G, ARG99E, ARG99G, ASN100E, ASN100G, GLN110E, GLN110G, GLY103E, GLY103G, HIS105E, HIS105G, LEU101E, LEU101G, LYS104E, LYS104G, LYS107E, LYS107G, PHE109E, PHE109G, SER102E, SER102G, SER108E, SER108G, SER147E, SER147G, TYR149E, TYR149G
• G-H: ALA24G, ALA68G, ALA68H, ALA74G, ALA74H, ALA80G, ALA80H, ARG71G, ARG71H, ARG76G, ARG76H, ASN100G, ASN100H, ASN79G, ASN79H, ASP69G, ASP69H, ASP82G, ASP82H, ASP83G, ASP83H, GLU31G, GLU31H, GLU75G, GLU75H, HIS73G, HIS73H, ILE77G, ILE77H, ILE78G, ILE78H, LYS104G, LYS104H, LYS54G, LYS54H, LYS66G, LYS66H, LYS93G, LYS93H, LYS97G, LYS97H, SER28G, SER28H, SER67G, SER67H, THR29G, THR29H, THR32G, THR32H, TRP72G, TRP72H, TYR27G, TYR27H, TYR30G, TYR30H, VAL35G, VAL35H, VAL70G, VAL70H
• G-I: ALA129I, ALA61I, ASP125I, ASP36I, ASP62G, GLU63G, ILE37I, LYS40I, LYS65I, LYS66G, THR60G, VAL122I, VAL39I
• H-I: ASP62I, LYS66I, THR29H, THR32H
• H-L: ALA14H, LYS66L, THR17H
• I-J: ALA24I, ALA24J, ALA68I, ALA68J, ALA74I, ALA74J, ALA80I, ALA80J, ARG71I, ARG71J, ARG76I, ARG76J, ASN100I, ASN100J, ASN79I, ASN79J, ASP69I, ASP69J, ASP82I, ASP82J, ASP83I, ASP83J, GLU31I, GLU31J, GLU75I, GLU75J, HIS73I, HIS73J, ILE77I, ILE77J, ILE78I, ILE78J, LYS104I, LYS104J, LYS54I, LYS54J, LYS66I, LYS66J, LYS93I, LYS93J, LYS97I, LYS97J, SER28I, SER28J, SER67I, SER67J, THR29I, THR29J, THR32I, THR32J, TRP72I, TRP72J, TYR27I, TYR27J, TYR30I, TYR30J, VAL35I, VAL35J, VAL70I, VAL70J
• I-K: ALA24I, ALA61K, ARG20I, ASP62K, LYS65K, SER28I, THR60K
• J-K: ALA68J, ARG71K, ASP62K, ASP69J, GLU63J, GLY57J, LEU58J, LEU64J, LYS54J, LYS56J, LYS65K, LYS66J, LYS66K, PHE55J, SER67J, THR32K, THR59J, THR60J, VAL70J
• J-L: ALA24L, ALA61J, ASP62J, GLU31L, GLU63J, GLY57J, LEU58J, PRO25L, SER28L, SER33L, THR29L, THR32L, THR59J, THR60J, TYR30L, VAL26L
• K-L: ALA68K, ALA68L, ALA74K, ALA74L, ALA80K, ALA80L, ARG71K, ARG71L, ARG76K, ARG76L, ASN100K, ASN100L, ASN79K, ASN79L, ASP69K, ASP69L, ASP82K, ASP82L, ASP83K, ASP83L, GLU31K, GLU31L, GLU75K, GLU75L, HIS73K, HIS73L, ILE77K, ILE77L, ILE78K, ILE78L, LYS104K, LYS104L, LYS54K, LYS54L, LYS66K, LYS66L, LYS93K, LYS93L, LYS97K, LYS97L, SER28K, SER28L, SER67K, SER67L, THR29K, THR29L, THR32K, THR32L, TRP72K, TRP72L, TYR27K, TYR27L, TYR30K, TYR30L, VAL35K, VAL35L, VAL70K, VAL70L