2CLB

the structure of the dps-like protein from sulfolobus solfataricus reveals a bacterioferritin-like di-metal binding site within a dps-like dodecameric assembly

• Total interactions analyzed: 28
• Total true interactions: 10
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 102
  • Norm. En. per Res.: -5.1981
• Hub Node: A(2)

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	-110.2768	-66.9253	-353.0	-530.2022	102	12	9	13363	16	29	19
A-C	-37.7022	-28.5093	-223.76	-289.9715	84	15	3	9848	2	40	43
B-C	-14.6249	2.2221	-97.3802	-109.783	43	6	0	3513	2	20	24
B-D	-24.1444	4.0803	-88.1502	-108.2143	41	4	0	3335	2	19	23
C-D	-14.4248	6.3081	-91.5049	-99.6216	43	7	0	3408	2	20	23
M-N	-50.954	-67.5579	-354.101	-472.6129	103	9	9	13345	16	30	19
M-O	-31.8661	-30.78	-221.489	-284.1352	85	12	3	9850	2	40	43
N-O	-16.1531	4.2311	-97.5009	-109.4229	42	7	0	3544	2	20	24
N-P	-15.307	3.1686	-88.4651	-100.6035	41	4	0	3303	2	19	23
O-P	-18.9311	5.6045	-90.3844	-103.711	43	7	0	3391	2	20	23

Interface residues

• A-B: ALA104A, ALA104B, ALA35A, ALA35B, ALA96A, ALA96B, ARG48A, ARG48B, ARG67A, ARG67B, ARG71A, ARG71B, ARG90A, ARG90B, ARG93A, ARG93B, ASP103A, ASP103B, ASP91A, ASP91B, ASP97A, ASP97B, CYS101A, CYS101B, GLN6A, GLN79A, GLN79B, GLN94A, GLN94B, GLU108A, GLU108B, GLU37A, GLU37B, GLU64A, GLU64B, GLU75A, GLU75B, GLU7A, GLY86A, GLY86B, GLY87A, GLY87B, HIS50A, HIS50B, ILE46A, ILE46B, ILE92A, ILE92B, ILE98A, ILE98B, LEU106A, LEU106B, LEU47A, LEU47B, LEU68A, LEU68B, LEU72A, LEU72B, LEU88A, LEU88B, LEU95A, LEU95B, LYS111A, LYS111B, PHE38A, PHE38B, PHE74A, PHE74B, PRO107A, PRO107B, PRO89A, PRO89B, PRO8A, PRO8B, SER102A, SER102B, SER99A, SER99B, THR34A, THR34B, THR39A, THR39B, THR40A, THR40B, THR45A, THR45B, THR52A, THR52B, THR78A, THR78B, TYR105A, TYR105B, TYR41A, TYR41B, TYR42A, TYR42B, TYR43A, TYR43B, TYR82A, TYR82B, VAL31A, VAL31B
• A-C: ALA127C, ALA149A, ALA149C, ALA161C, ARG129C, ARG144A, ARG151A, ARG151C, ARG170C, ARG80A, ASP136C, ASP142A, ASP147A, ASP147C, CYS126C, CYS135C, GLN125C, GLN150A, GLN150C, GLN154C, GLN6A, GLN79A, GLU122C, GLU124C, GLU133C, GLU14A, GLU155C, GLU156C, GLU158C, GLU160C, GLU165C, GLU17A, GLU7A, GLU83A, GLY12A, GLY140A, GLY140C, GLY169C, GLY173C, GLY85A, GLY86A, GLY87A, HIS159C, HIS174C, ILE128C, ILE157C, ILE15A, ILE23A, ILE81A, LEU121C, LEU148A, LEU153C, LEU164C, LEU167C, LEU16A, LEU21A, LEU76A, LEU84A, LYS118C, LYS132C, LYS141A, LYS18A, LYS9A, PRO143A, PRO171C, PRO8A, SER172C, SER19A, THR130C, THR138A, THR145A, THR78A, TRP131C, TRP162C, TYR139A, TYR139C, TYR146A, TYR146C, TYR168C, TYR82A, VAL10A, VAL11A, VAL13A, VAL27A
• B-C: ALA161C, ALA63B, ARG170C, ARG48B, ARG67B, ASP65B, GLU165C, GLU55B, GLU55C, GLU57B, GLU61B, GLU61C, GLU64B, GLY169C, GLY173C, GLY53B, GLY56B, GLY58B, GLY58C, HIS174C, HIS50B, ILE46B, ILE62B, ILE62C, LEU106B, LEU117C, LEU164C, LEU166C, LEU167C, LEU47B, LEU51B, LEU59C, LEU68B, LYS111B, LYS114C, LYS60B, PHE163C, PRO171C, SER172C, THR52B, TRP110B, TRP162C, TYR168C
• B-D: ALA161B, ARG170B, ARG48D, ARG67D, ASP65D, GLU165B, GLU55B, GLU55D, GLU57D, GLU61B, GLU61D, GLU64D, GLY169B, GLY173B, GLY53D, GLY56D, GLY58B, GLY58D, HIS174B, HIS50D, ILE46D, ILE62B, ILE62D, LEU106D, LEU117B, LEU164B, LEU166B, LEU167B, LEU51D, LEU59B, LEU68D, LYS111D, LYS114B, LYS60D, PHE163B, PRO171B, SER172B, THR52D, TRP110D, TRP162B, TYR168B
• C-D: ALA161D, ALA63C, ARG170D, ARG48C, ARG67C, ASP65C, GLU165D, GLU55C, GLU55D, GLU57C, GLU61C, GLU61D, GLU64C, GLY169D, GLY173D, GLY53C, GLY56C, GLY58C, GLY58D, HIS174D, HIS50C, ILE46C, ILE62C, ILE62D, LEU106C, LEU117D, LEU164D, LEU166D, LEU167D, LEU51C, LEU59D, LEU68C, LYS111C, LYS114D, LYS60C, LYS60D, PHE163D, PRO171D, SER172D, THR52C, TRP110C, TRP162D, TYR168D
• M-N: ALA104M, ALA104N, ALA35M, ALA35N, ALA96M, ALA96N, ARG48M, ARG48N, ARG67M, ARG67N, ARG71M, ARG71N, ARG90M, ARG90N, ARG93M, ARG93N, ASP103M, ASP103N, ASP70M, ASP70N, ASP91M, ASP91N, ASP97M, ASP97N, CYS101M, CYS101N, GLN79M, GLN79N, GLN94M, GLN94N, GLU108M, GLU108N, GLU37M, GLU37N, GLU64M, GLU64N, GLU75M, GLU75N, GLU7M, GLY86M, GLY86N, GLY87M, GLY87N, HIS50M, HIS50N, ILE46M, ILE46N, ILE92M, ILE92N, ILE98M, ILE98N, LEU106M, LEU106N, LEU47M, LEU47N, LEU68M, LEU68N, LEU72M, LEU72N, LEU88M, LEU88N, LEU95M, LEU95N, LYS111M, LYS111N, PHE38M, PHE38N, PHE74M, PHE74N, PRO107M, PRO107N, PRO89M, PRO89N, PRO8M, PRO8N, SER102M, SER102N, SER99M, SER99N, THR34M, THR34N, THR39M, THR39N, THR40M, THR40N, THR45M, THR45N, THR52M, THR52N, THR78M, THR78N, TYR105M, TYR105N, TYR41M, TYR41N, TYR42M, TYR42N, TYR43M, TYR43N, TYR82M, TYR82N, VAL31M, VAL31N
• M-O: ALA127O, ALA149M, ALA149O, ALA161O, ARG129O, ARG144M, ARG151M, ARG151O, ARG170O, ARG80M, ASP136O, ASP142M, ASP147M, ASP147O, CYS126O, CYS135O, GLN125O, GLN150M, GLN150O, GLN154O, GLN6M, GLN79M, GLU122O, GLU124O, GLU133O, GLU14M, GLU155O, GLU156O, GLU158O, GLU160O, GLU165O, GLU17M, GLU7M, GLU83M, GLY12M, GLY140M, GLY140O, GLY169O, GLY173O, GLY85M, GLY86M, GLY87M, HIS159O, HIS174O, ILE128O, ILE157O, ILE15M, ILE23M, ILE81M, LEU121O, LEU148M, LEU153O, LEU164O, LEU167O, LEU16M, LEU21M, LEU76M, LEU84M, LYS114O, LYS118O, LYS132O, LYS141M, LYS18M, LYS9M, PRO143M, PRO171O, PRO8M, SER172O, SER19M, THR130O, THR138M, THR145M, THR78M, TRP131O, TRP162O, TYR139M, TYR139O, TYR146M, TYR146O, TYR168O, TYR82M, VAL10M, VAL11M, VAL13M, VAL27M
• N-O: ALA161O, ALA63N, ARG170O, ARG48N, ARG67N, ASP65N, GLU165O, GLU55N, GLU55O, GLU57N, GLU61N, GLU61O, GLU64N, GLY169O, GLY173O, GLY53N, GLY56N, GLY58N, GLY58O, HIS174O, HIS50N, ILE46N, ILE62N, ILE62O, LEU106N, LEU117O, LEU164O, LEU166O, LEU167O, LEU51N, LEU59O, LEU68N, LYS111N, LYS114O, LYS60N, PHE163O, PRO171O, SER172O, THR52N, TRP110N, TRP162O, TYR168O
• N-P: ALA161N, ARG170N, ARG48P, ARG67P, ASP65P, GLU165N, GLU55N, GLU55P, GLU57P, GLU61N, GLU61P, GLU64P, GLY169N, GLY173N, GLY53P, GLY56P, GLY58N, GLY58P, HIS174N, HIS50P, ILE46P, ILE62N, ILE62P, LEU106P, LEU117N, LEU164N, LEU166N, LEU167N, LEU51P, LEU59N, LEU68P, LYS111P, LYS114N, LYS60P, PHE163N, PRO171N, SER172N, THR52P, TRP110P, TRP162N, TYR168N
• O-P: ALA161P, ALA63O, ARG170P, ARG48O, ARG67O, ASP65O, GLU165P, GLU55O, GLU55P, GLU57O, GLU61O, GLU61P, GLU64O, GLY169P, GLY173P, GLY53O, GLY56O, GLY58O, GLY58P, HIS174P, HIS50O, ILE46O, ILE62O, ILE62P, LEU106O, LEU117P, LEU164P, LEU166P, LEU167P, LEU51O, LEU59P, LEU68O, LYS111O, LYS114P, LYS60O, LYS60P, PHE163P, PRO171P, SER172P, THR52O, TRP110O, TRP162P, TYR168P