3F56

the structure of a previously undetected carboxysome shell protein: csos1d from prochlorococcus marinus med4

• Total interactions analyzed: 15
• Total true interactions: 15
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 99
  • Norm. En. per Res.: -4.466
• 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	-83.0482	-59.9153	-291.746	-434.7094	104	22	2	11289	7	21	26
A-C	-77.784	-63.4272	-262.225	-403.4362	101	22	2	10597	7	21	26
A-D	-39.1943	0.0	-182.891	-222.0853	92	5	4	8064	0	5	7
A-E	0.0	0.0	-50.5164	-50.5164	34	2	3	2248	0	2	5
A-F	0.0	0.0	-1.5903	-1.5903	3	0	0	78	0	0	1
B-C	-76.1394	-90.9293	-275.061	-442.1297	99	16	2	10685	6	20	26
B-D	0.0	0.0	-48.9914	-48.9914	34	1	3	2226	0	2	5
B-E	0.0	0.0	-1.2718	-1.2718	3	0	0	71	0	0	1
B-F	-48.2364	0.0	-182.802	-231.0384	91	7	5	8011	0	6	7
C-D	0.0	0.0	-1.7656	-1.7656	4	0	0	83	0	0	1
C-E	-65.6521	0.0	-186.099	-251.7511	92	9	6	7947	0	6	7
C-F	0.0	0.0	-49.3883	-49.3883	32	2	3	2080	0	2	5
D-E	-44.9238	-71.1204	-204.183	-320.2272	82	10	1	8203	5	18	21
D-F	-36.2715	-63.6272	-208.567	-308.4657	81	10	1	8316	5	18	21
E-F	-55.8203	-74.3932	-186.501	-316.7145	80	23	1	8245	4	18	22

Interface residues

• A-B: ALA106B, ALA109B, ALA122A, ALA122B, ALA127B, ALA167A, ALA173A, ALA200A, ALA226A, ALA226B, ALA243A, ALA48B, ALA98B, ARG101B, ARG113B, ARG121A, ARG121B, ARG178A, ARG181A, ARG229A, ARG229B, ARG57A, ARG78B, ASN111B, ASN177A, ASN180A, ASP104B, ASP171A, CYS166A, GLN116B, GLN179A, GLN50B, GLN53B, GLU120A, GLU120B, GLU163A, GLU196A, GLU198A, GLU52B, GLU55B, GLU92A, GLY115B, GLY124B, GLY189A, GLY225A, GLY74B, GLY79B, GLY96B, HIS100B, HIS172A, ILE105B, ILE118B, ILE147B, ILE165A, ILE168A, ILE176A, ILE186A, ILE194A, ILE219A, ILE247A, ILE54B, LEU107B, LEU114B, LEU126B, LEU128B, LEU175A, LEU195A, LEU230A, LEU81B, LYS108B, LYS222A, PHE123A, PHE123B, PHE193A, PHE227A, PHE227B, PHE80B, PRO170A, PRO95B, SER110B, SER125B, SER160A, SER191A, SER49B, SER77B, SER94B, THR103B, THR159A, THR162A, THR169A, THR231A, TRP161A, TYR129B, VAL102B, VAL112B, VAL119B, VAL164A, VAL174A, VAL224A, VAL224B, VAL51B, VAL76B, VAL93B, VAL99B
• A-C: ALA106A, ALA109A, ALA122A, ALA122C, ALA127A, ALA167C, ALA173C, ALA200C, ALA226A, ALA226C, ALA98A, ARG101A, ARG113A, ARG121A, ARG121C, ARG178C, ARG181C, ARG229A, ARG229C, ARG57C, ARG78A, ASN111A, ASN177C, ASN180C, ASP104A, ASP171C, CYS166C, GLN116A, GLN179C, GLN50A, GLN53A, GLU120A, GLU120C, GLU163C, GLU196C, GLU198C, GLU52A, GLU55A, GLU92C, GLY115A, GLY124A, GLY189C, GLY225C, GLY74A, GLY79A, GLY96A, HIS100A, HIS172C, ILE105A, ILE118A, ILE147A, ILE165C, ILE168C, ILE176C, ILE186C, ILE194C, ILE219C, ILE54A, LEU107A, LEU114A, LEU126A, LEU128A, LEU175C, LEU195C, LEU230C, LEU81A, LYS108A, LYS222C, PHE123A, PHE123C, PHE227A, PHE227C, PHE80A, PRO170C, PRO95A, SER110A, SER125A, SER158C, SER160C, SER191C, SER77A, SER94A, THR103A, THR159C, THR162C, THR169C, THR231C, TRP161C, TRP90A, TYR129A, VAL102A, VAL112A, VAL119A, VAL164C, VAL174C, VAL224A, VAL224C, VAL51A, VAL76A, VAL93A, VAL99A
• A-D: ALA173A, ALA173D, ALA70A, ALA70D, ALA71A, ALA71D, ARG178A, ARG178D, ARG181A, ARG181D, ARG78A, ARG78D, ASN177A, ASN177D, ASN180A, ASN215A, ASP171A, ASP171D, GLN116A, GLN116D, GLN179A, GLN179D, GLN187A, GLN187D, GLN66A, GLN66D, GLN68A, GLN68D, GLU211A, GLU211D, GLY115A, GLY115D, GLY183A, GLY183D, GLY189A, GLY189D, GLY74A, GLY74D, GLY79A, GLY79D, HIS172A, HIS172D, ILE176A, ILE176D, ILE186A, ILE186D, ILE216A, ILE216D, ILE218A, ILE218D, ILE219A, ILE219D, ILE83A, ILE83D, LEU175A, LEU175D, LEU69A, LEU69D, LEU81A, LEU81D, LYS235D, PHE80A, PHE80D, PRO170A, PRO170D, PRO67A, PRO67D, PRO82A, PRO82D, PRO84A, PRO84D, SER182A, SER182D, SER184A, SER184D, SER188A, SER188D, SER77A, SER77D, THR169A, THR169D, THR217A, THR217D, THR75A, THR75D, TYR129D, TYR72A, TYR72D, VAL174A, VAL174D, VAL76A, VAL76D
• A-E: ARG113A, ARG113E, ARG78A, ARG78E, ASP86A, ASP86E, GLN116A, GLY115A, GLY115E, GLY74A, GLY74E, GLY79A, GLY79E, HIS130E, ILE83A, ILE83E, LEU114A, LEU114E, LEU81A, LEU81E, LYS131E, PHE80A, PHE80E, PRO82A, PRO82E, PRO84A, PRO84E, SER77A, SER77E, THR75A, THR75E, TYR129A, TYR129E, VAL76E
• A-F: ARG178A, ARG178F, VAL174F
• B-C: ALA106C, ALA109C, ALA122B, ALA122C, ALA127C, ALA167B, ALA173B, ALA200B, ALA226B, ALA226C, ALA98C, ARG101C, ARG113C, ARG121B, ARG121C, ARG178B, ARG181B, ARG229B, ARG229C, ARG57B, ARG78C, ASN111C, ASN177B, ASN180B, ASP104C, ASP171B, CYS166B, GLN116C, GLN179B, GLN50C, GLN53C, GLU120B, GLU120C, GLU163B, GLU196B, GLU52C, GLU55C, GLU92B, GLY115C, GLY124C, GLY189B, GLY225B, GLY74C, GLY79C, GLY96C, HIS100C, HIS172B, ILE105C, ILE118C, ILE147C, ILE165B, ILE168B, ILE176B, ILE186B, ILE194B, ILE219B, ILE247B, ILE54C, LEU107C, LEU114C, LEU126C, LEU128C, LEU175B, LEU195B, LEU230B, LYS108C, LYS222B, PHE123B, PHE123C, PHE193B, PHE227B, PHE227C, PHE80C, PRO170B, PRO95C, SER110C, SER125C, SER158B, SER160B, SER191B, SER49C, SER77C, SER94C, THR103C, THR159B, THR162B, THR169B, THR231B, TRP161B, TYR129C, VAL102C, VAL112C, VAL119C, VAL164B, VAL174B, VAL224B, VAL51C, VAL93C, VAL99C
• B-D: ARG113B, ARG113D, ARG78B, ARG78D, ASN111B, ASP86B, ASP86D, GLN116B, GLY115B, GLY115D, GLY74B, GLY74D, GLY79B, GLY79D, ILE83B, ILE83D, LEU114B, LEU114D, LEU81B, LEU81D, LYS131D, PHE80B, PHE80D, PRO82B, PRO82D, PRO84B, PRO84D, SER77B, SER77D, THR75B, THR75D, TYR129B, TYR129D, VAL76D
• B-E: ARG178B, ARG178E, VAL174E
• B-F: ALA173B, ALA173F, ALA70B, ALA70F, ALA71B, ALA71F, ARG178B, ARG178F, ARG181B, ARG181F, ARG78B, ARG78F, ASN177B, ASN177F, ASN180B, ASP171B, ASP171F, GLN116B, GLN116F, GLN179B, GLN179F, GLN187B, GLN187F, GLN66B, GLN66F, GLN68B, GLN68F, GLU211B, GLU211F, GLY115B, GLY115F, GLY183B, GLY183F, GLY189B, GLY189F, GLY74B, GLY74F, GLY79B, GLY79F, HIS172B, HIS172F, ILE176B, ILE176F, ILE186B, ILE186F, ILE216B, ILE216F, ILE218B, ILE218F, ILE219B, ILE219F, ILE83B, ILE83F, LEU175B, LEU175F, LEU69B, LEU69F, LEU81B, LEU81F, PHE80B, PHE80F, PRO170B, PRO170F, PRO67B, PRO67F, PRO82B, PRO82F, PRO84B, PRO84F, SER182B, SER182F, SER184B, SER184F, SER188B, SER188F, SER77B, SER77F, THR169B, THR169F, THR217B, THR217F, THR75B, THR75F, TYR129B, TYR129F, TYR72B, TYR72F, VAL174B, VAL174F, VAL76B, VAL76F
• C-D: ARG178C, ARG178D, GLN179C, VAL174D
• C-E: ALA173C, ALA173E, ALA70C, ALA70E, ALA71C, ALA71E, ARG178C, ARG178E, ARG181C, ARG181E, ARG78C, ARG78E, ASN177C, ASN177E, ASN180C, ASN215E, ASP171C, ASP171E, GLN116C, GLN116E, GLN179C, GLN179E, GLN187C, GLN187E, GLN66C, GLN66E, GLN68C, GLN68E, GLU211C, GLU211E, GLY115C, GLY115E, GLY183C, GLY183E, GLY189C, GLY189E, GLY74C, GLY74E, GLY79C, GLY79E, HIS172C, HIS172E, ILE176C, ILE176E, ILE186C, ILE186E, ILE216C, ILE216E, ILE218C, ILE218E, ILE219C, ILE219E, ILE83C, ILE83E, LEU175C, LEU175E, LEU69C, LEU69E, LEU81C, LEU81E, LYS235C, PHE80C, PHE80E, PRO170C, PRO170E, PRO67C, PRO67E, PRO82C, PRO82E, PRO84C, PRO84E, SER182C, SER182E, SER184C, SER184E, SER188C, SER188E, SER77C, SER77E, THR169C, THR169E, THR217C, THR217E, THR75C, THR75E, TYR129E, TYR72C, TYR72E, VAL174C, VAL174E, VAL76C, VAL76E
• C-F: ARG113C, ARG113F, ARG78C, ARG78F, ASP86C, ASP86F, GLN116C, GLY115C, GLY115F, GLY74C, GLY74F, GLY79C, GLY79F, HIS130F, ILE83C, ILE83F, LEU114C, LEU114F, LEU81C, LEU81F, LYS131F, PHE80C, PHE80F, PRO82C, PRO82F, PRO84C, PRO84F, SER77C, SER77F, THR75C, TYR129C, TYR129F
• D-E: ALA106E, ALA109E, ALA122E, ALA127E, ALA167D, ALA173D, ALA226D, ALA98E, ARG101E, ARG113E, ARG121E, ARG178D, ARG181D, ARG229D, ARG78E, ASN111E, ASN177D, ASN180D, ASP104E, ASP171D, CYS166D, GLN116E, GLN179D, GLN53E, GLU120E, GLU163D, GLU196D, GLU198D, GLU55E, GLY115E, GLY189D, GLY228D, GLY79E, GLY96E, HIS100E, HIS172D, ILE105E, ILE118E, ILE147E, ILE165D, ILE168D, ILE176D, ILE186D, ILE194D, ILE54E, LEU107E, LEU114E, LEU126E, LEU128E, LEU175D, LEU81E, LYS108E, LYS222D, PHE123E, PHE227D, PHE80E, PRO170D, PRO95E, SER110E, SER125E, SER158D, SER160D, SER191D, SER77E, SER94E, THR103E, THR159D, THR162D, THR169D, THR197D, THR231D, TRP161D, TYR129E, VAL102E, VAL112E, VAL119E, VAL164D, VAL174D, VAL224E, VAL76E, VAL93E, VAL99E
• D-F: ALA106D, ALA109D, ALA122D, ALA127D, ALA167F, ALA173F, ALA226F, ALA98D, ARG101D, ARG113D, ARG121D, ARG178F, ARG181F, ARG229F, ARG78D, ASN111D, ASN177F, ASN180F, ASP104D, ASP171F, CYS166F, GLN116D, GLN179F, GLN53D, GLU120D, GLU163F, GLU196F, GLU198F, GLU55D, GLY115D, GLY189F, GLY228F, GLY79D, GLY96D, HIS100D, HIS172F, ILE105D, ILE118D, ILE147D, ILE165F, ILE168F, ILE176F, ILE186F, ILE194F, ILE54D, LEU107D, LEU114D, LEU126D, LEU128D, LEU175F, LEU81D, LYS108D, LYS222F, PHE123D, PHE227F, PHE80D, PRO170F, PRO95D, SER125D, SER158F, SER160F, SER191F, SER77D, SER94D, THR103D, THR159F, THR162F, THR169F, THR197F, THR231F, TRP161F, TYR129D, VAL102D, VAL112D, VAL119D, VAL164F, VAL174F, VAL224D, VAL76D, VAL93D, VAL99D
• E-F: ALA106F, ALA109F, ALA122F, ALA127F, ALA167E, ALA173E, ALA226E, ALA98F, ARG101F, ARG113F, ARG121F, ARG178E, ARG181E, ARG229E, ARG78F, ASN111F, ASN177E, ASN180E, ASP104F, ASP171E, CYS166E, GLN116F, GLN179E, GLN53F, GLU120F, GLU163E, GLU196E, GLU198E, GLU55F, GLY115F, GLY124F, GLY189E, GLY79F, GLY96F, HIS100F, HIS172E, ILE105F, ILE118F, ILE147F, ILE165E, ILE168E, ILE176E, ILE194E, ILE219E, ILE54F, LEU107F, LEU114F, LEU126F, LEU128F, LEU175E, LEU81F, LYS108F, LYS222E, PHE123F, PHE227E, PHE80F, PRO170E, PRO95F, SER125F, SER158E, SER160E, SER191E, SER77F, SER94F, THR103F, THR159E, THR162E, THR169E, THR197E, THR231E, TRP161E, TYR129F, VAL102F, VAL112F, VAL119F, VAL164E, VAL174E, VAL224F, VAL76F, VAL99F