3LFX

structure of tm1797, a cas1 protein from thermotoga maritima

• Total interactions analyzed: 28
• Total true interactions: 20
• Strongest Interaction:
  • Chains: B-G
  • Int. Res.: 176
  • Norm. En. per Res.: -5.1217
• 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-D	0.0	0.0	-5.9439	-5.9439	20	0	0	294	0	3	4
A-E	-198.7974	-43.2588	-623.252	-865.3081	176	31	21	25034	2	60	54
A-F	0.0	-6.4402	-2.8348	-9.2751	6	0	0	152	0	2	2
A-G	0.0	-9.2005	-8.4269	-17.6274	16	0	0	509	1	18	17
A-H	-22.8343	-49.0897	95.6117	23.6877	88	18	1	6195	4	53	59
B-C	0.0	0.0	-5.2528	-5.2528	20	0	0	286	0	2	3
B-F	-39.4526	-34.2407	-157.943	-231.6363	92	10	1	7175	3	57	62
B-G	-223.9667	-34.7919	-642.663	-901.4216	176	33	20	24607	1	59	54
C-E	-2.8492	-8.5897	-5.3403	-16.7792	7	0	0	276	0	2	3
C-F	-204.1266	-28.6056	-600.191	-832.9231	170	39	21	24348	2	59	51
C-G	-37.0178	-61.3008	-139.208	-237.5266	81	7	1	5921	4	55	59
C-H	0.0	7.1643	-5.7542	1.4101	16	0	0	507	0	17	17
D-E	-34.8783	-64.3817	-162.377	-261.637	103	4	1	7789	5	67	71
D-F	0.0	0.0	-8.0201	-8.0201	11	0	0	191	0	0	0
D-H	-222.9085	-50.2734	-612.655	-885.8369	173	35	21	24439	2	61	56
E-F	-40.5519	-5.5785	-76.7978	-122.9281	71	5	0	4245	0	33	34
E-H	-3.326	0.0	544.648	541.322	46	39	0	1840	0	6	9
F-G	-3.0954	0.0	-30.6138	-33.7092	32	1	0	1418	0	7	9
F-H	0.0	0.0	443.422	443.422	18	41	0	363	3	0	0
G-H	0.0	20.4476	-31.2274	-10.7798	27	8	0	932	3	21	15

Interface residues

• A-D: ASN81A, ASN81D, GLU312A, GLU312D, GLY311A, GLY311D, GLY83A, GLY83D, HIS205A, HIS205D, ILE310A, ILE310D, LEU87A, LEU87D, LYS88A, LYS88D, PHE84A, PHE84D, SER82A, SER82D
• A-E: ALA90A, ALA90E, ARG176A, ARG209A, ARG209E, ARG219A, ARG219E, ARG220A, ARG220E, ARG49A, ARG49E, ARG58A, ARG58E, ARG66A, ARG66E, ARG77A, ARG77E, ARG99A, ARG99E, ASN217A, ASN217E, ASN47A, ASN47E, ASN65A, ASN65E, ASN81A, ASN81E, ASN95A, ASN95E, ASP207A, ASP207E, ASP45A, ASP45E, GLN56A, GLN56E, GLN89A, GLN89E, GLU215A, GLU215E, GLU306A, GLU43A, GLU43E, GLU52A, GLU52E, GLU67A, GLU67E, GLU78A, GLU78E, GLU91A, GLU91E, GLY10A, GLY10E, GLY211A, GLY211E, GLY42A, GLY42E, GLY68A, GLY68E, GLY72A, GLY72E, GLY83A, GLY83E, HIS205A, HIS205E, HIS3E, HIS62A, HIS62E, HIS92A, HIS92E, ILE210A, ILE210E, ILE310A, ILE61A, ILE61E, ILE86A, ILE86E, ILE94A, ILE94E, LEU12A, LEU12E, LEU198A, LEU198E, LEU206A, LEU206E, LEU223E, LEU225A, LEU46A, LEU46E, LEU51A, LEU51E, LEU54A, LEU54E, LEU6A, LEU6E, LEU80A, LEU80E, LEU85A, LEU85E, LEU87A, LEU87E, LYS268A, LYS48A, LYS48E, LYS88A, LYS88E, LYS98A, LYS98E, MET36E, PHE218A, PHE218E, PHE221A, PHE221E, PHE41A, PHE41E, PHE50A, PHE50E, PHE53A, PHE53E, PHE63A, PHE63E, PHE64A, PHE64E, PHE74A, PHE74E, PHE7A, PHE7E, PHE84A, PHE84E, PRO177A, PRO208A, PRO208E, PRO60E, PRO76A, PRO76E, SER187A, SER191A, SER199E, SER222A, SER222E, SER55A, SER55E, SER82A, SER82E, SER8A, SER8E, SER9A, SER9E, THR11A, THR11E, THR204A, THR204E, THR216A, THR216E, THR73A, THR73E, TYR194A, TYR202A, TYR202E, TYR212A, TYR212E, TYR69A, TYR69E, TYR70A, TYR70E, TYR75A, TYR75E, TYR79A, TYR79E, TYR93A, TYR93E, VAL40A, VAL40E, VAL44A, VAL44E, VAL71A, VAL71E
• A-F: ARG219A, GLN313F, GLU312F, GLY311F, ILE310F, LYS307F
• A-G: ALA138A, ARG130A, ARG130G, ASN140A, ASN150A, GLU136G, GLU137A, GLU137G, GLU143A, GLY146A, ILE147A, LYS133G, LYS134A, LYS134G, SER139A, THR129G
• A-H: ALA103A, ALA135A, ALA138A, ARG104A, ARG109A, ARG173H, ARG175H, ARG176H, ARG219H, ARG220H, ARG99A, ASN140A, ASN150H, ASN180H, ASN183H, ASN217H, ASN95A, ASP116A, GLN112A, GLN313A, GLN96A, GLU105A, GLU136A, GLU137A, GLU143A, GLU143H, GLU153H, GLU171H, GLU215H, GLU259H, GLU306A, GLU312A, GLU91A, GLU97A, GLY146H, GLY149H, GLY260H, GLY311A, HIS308A, HIS3H, HIS92A, ILE102A, ILE106A, ILE147H, ILE310A, ILE94A, LEU101A, LEU144A, LEU144H, LEU297A, LEU309A, LEU87A, LYS132A, LYS133A, LYS134A, LYS172H, LYS179H, LYS307A, LYS88A, LYS98A, MET100A, MET145H, MET300A, PHE111A, PHE218H, PHE221H, PHE315A, PHE84A, PRO177H, PRO178H, SER108A, SER110A, SER139A, SER142H, SER258H, SER293A, SER296A, THR129A, THR174H, THR216H, THR282A, TYR131H, TYR93H, VAL107A, VAL115A, VAL283A, VAL292A, VAL314A
• B-C: ASN81B, ASN81C, GLU312B, GLU312C, GLY311B, GLY311C, GLY83B, GLY83C, HIS205B, HIS205C, ILE310B, ILE310C, LEU87B, LEU87C, LYS88B, LYS88C, PHE84B, PHE84C, SER82B, SER82C
• B-F: ALA103B, ALA135B, ALA138B, ALA228F, ARG104B, ARG109B, ARG152F, ARG173F, ARG175F, ARG176F, ARG219F, ARG220F, ARG99B, ASN140B, ASN140F, ASN150F, ASN180F, ASN183F, ASN190F, ASN217F, ASN224F, ASN95B, GLN112B, GLN313B, GLN96B, GLU105B, GLU136B, GLU137B, GLU143B, GLU143F, GLU153F, GLU171F, GLU215F, GLU229F, GLU256F, GLU306B, GLU312B, GLU318B, GLU91B, GLU97B, GLY146F, GLY149F, GLY311B, GLY316B, HIS214F, HIS308B, HIS92B, ILE102B, ILE106B, ILE147F, ILE186F, ILE257F, ILE310B, ILE94B, LEU101B, LEU144B, LEU144F, LEU225F, LEU309B, LEU87B, LYS132B, LYS133B, LYS134B, LYS172F, LYS179F, LYS232F, LYS307B, LYS88B, LYS98B, MET100B, MET145F, PHE188F, PHE218F, PHE221F, PHE315B, PHE84B, PRO177F, PRO178F, SER108B, SER139B, SER142F, SER187F, SER191F, SER222F, SER317B, THR129B, THR174F, THR216F, TYR194F, TYR93F, VAL107B, VAL314B
• B-G: ALA90B, ALA90G, ARG176B, ARG209B, ARG209G, ARG219B, ARG219G, ARG220B, ARG220G, ARG49B, ARG49G, ARG58B, ARG58G, ARG66B, ARG66G, ARG77B, ARG77G, ARG99B, ARG99G, ASN217B, ASN217G, ASN47B, ASN47G, ASN65B, ASN65G, ASN81B, ASN81G, ASN95B, ASN95G, ASP207B, ASP207G, ASP45B, ASP45G, GLN56B, GLN56G, GLN89B, GLN89G, GLU215B, GLU215G, GLU306B, GLU43B, GLU43G, GLU52B, GLU52G, GLU67B, GLU67G, GLU78B, GLU78G, GLU91B, GLU91G, GLY10B, GLY10G, GLY211B, GLY211G, GLY42B, GLY42G, GLY68B, GLY68G, GLY72B, GLY72G, GLY83B, GLY83G, HIS205B, HIS205G, HIS62B, HIS62G, HIS92B, HIS92G, ILE210B, ILE210G, ILE310B, ILE61B, ILE61G, ILE86B, ILE86G, ILE94B, ILE94G, LEU12B, LEU12G, LEU198B, LEU198G, LEU206B, LEU206G, LEU223G, LEU225B, LEU46B, LEU46G, LEU51B, LEU51G, LEU54B, LEU54G, LEU6B, LEU6G, LEU80B, LEU80G, LEU85B, LEU85G, LEU87B, LEU87G, LYS13G, LYS268B, LYS48B, LYS48G, LYS88B, LYS88G, LYS98B, LYS98G, MET36G, PHE218B, PHE218G, PHE221B, PHE221G, PHE41B, PHE41G, PHE50B, PHE50G, PHE53B, PHE53G, PHE63B, PHE63G, PHE64B, PHE64G, PHE74B, PHE74G, PHE7B, PHE7G, PHE84B, PHE84G, PRO208B, PRO208G, PRO60B, PRO60G, PRO76B, PRO76G, SER191B, SER199G, SER222B, SER222G, SER55B, SER55G, SER82B, SER82G, SER8B, SER8G, SER9B, SER9G, THR11B, THR11G, THR174B, THR204B, THR204G, THR216B, THR216G, THR73B, THR73G, TYR194B, TYR202B, TYR202G, TYR212B, TYR212G, TYR69B, TYR69G, TYR70B, TYR70G, TYR75B, TYR75G, TYR79B, TYR79G, TYR93B, TYR93G, VAL40B, VAL40G, VAL44B, VAL44G, VAL71B, VAL71G
• C-E: ARG219C, GLN313E, GLU312E, GLY311E, HIS308E, ILE310E, LYS307E
• C-F: ALA90C, ALA90F, ARG209C, ARG209F, ARG219C, ARG219F, ARG220C, ARG220F, ARG49C, ARG49F, ARG58C, ARG58F, ARG66C, ARG66F, ARG77C, ARG77F, ARG99C, ARG99F, ASN217C, ASN217F, ASN47C, ASN47F, ASN65C, ASN65F, ASN81C, ASN81F, ASN95C, ASN95F, ASP207C, ASP207F, ASP45C, ASP45F, GLN56C, GLN56F, GLN89C, GLN89F, GLU215C, GLU215F, GLU306C, GLU43C, GLU43F, GLU52C, GLU52F, GLU67C, GLU67F, GLU78C, GLU78F, GLU91C, GLU91F, GLY10C, GLY10F, GLY211C, GLY211F, GLY42C, GLY42F, GLY68C, GLY68F, GLY72C, GLY72F, GLY83C, GLY83F, HIS205C, HIS205F, HIS62C, HIS62F, HIS92C, HIS92F, ILE210C, ILE210F, ILE310C, ILE61C, ILE61F, ILE86C, ILE86F, ILE94C, ILE94F, LEU12C, LEU12F, LEU198C, LEU198F, LEU206C, LEU206F, LEU223F, LEU225C, LEU46C, LEU46F, LEU51C, LEU51F, LEU54C, LEU54F, LEU6C, LEU6F, LEU80C, LEU80F, LEU85C, LEU85F, LEU87C, LEU87F, LYS268C, LYS48C, LYS48F, LYS88C, LYS88F, LYS98C, LYS98F, MET36F, PHE218C, PHE218F, PHE221C, PHE221F, PHE41C, PHE41F, PHE50C, PHE50F, PHE53C, PHE53F, PHE63C, PHE63F, PHE64C, PHE64F, PHE74C, PHE74F, PHE7C, PHE7F, PHE84C, PHE84F, PRO208C, PRO208F, PRO60F, PRO76C, PRO76F, SER191C, SER199F, SER222C, SER222F, SER55C, SER55F, SER82C, SER82F, SER9C, SER9F, THR11C, THR11F, THR204C, THR204F, THR216C, THR216F, THR73C, THR73F, TYR194C, TYR202C, TYR202F, TYR212C, TYR212F, TYR69C, TYR69F, TYR70C, TYR70F, TYR75C, TYR75F, TYR79C, TYR79F, TYR93C, TYR93F, VAL40C, VAL40F, VAL44C, VAL44F, VAL71C, VAL71F
• C-G: ALA103C, ALA135C, ALA138C, ARG104C, ARG109C, ARG173G, ARG175G, ARG176G, ARG219G, ARG220G, ARG99G, ASN150G, ASN180G, ASN183G, ASN190G, ASN217G, ASN224G, ASN95C, GLN112C, GLN313C, GLN96C, GLU105C, GLU136C, GLU137C, GLU143G, GLU153G, GLU171G, GLU215G, GLU229G, GLU306C, GLU312C, GLU318C, GLU91C, GLU97C, GLY146G, GLY149G, GLY311C, GLY316C, HIS214G, HIS308C, HIS92C, ILE102C, ILE106C, ILE147G, ILE186G, ILE257G, ILE310C, LEU101C, LEU225G, LEU309C, LEU87C, LYS132C, LYS133C, LYS172G, LYS179G, LYS232G, LYS307C, LYS88C, LYS98C, MET100C, MET145G, PHE218G, PHE221G, PHE315C, PHE84C, PRO177G, PRO178G, SER108C, SER110C, SER139C, SER142G, SER187G, SER191G, SER222G, SER317C, THR174G, THR216G, TYR194G, TYR93G, VAL107C, VAL314C
• C-H: ALA138C, ARG130C, ARG130H, ASN140C, ASN150C, GLU137C, GLU137H, GLU143C, GLY146C, ILE147C, LYS133H, LYS134C, LYS134H, SER139C, THR129H, TYR131C
• D-E: ALA103D, ALA135D, ALA138D, ALA228E, ARG104D, ARG109D, ARG152E, ARG173E, ARG175E, ARG176E, ARG219E, ARG220E, ARG99E, ASN140D, ASN140E, ASN150E, ASN180E, ASN183E, ASN190E, ASN217E, ASN224E, ASN95D, ASP226E, GLN112D, GLN313D, GLN96D, GLU105D, GLU136D, GLU137D, GLU143D, GLU143E, GLU148E, GLU153E, GLU171E, GLU215E, GLU229E, GLU306D, GLU312D, GLU318D, GLU319D, GLU91D, GLU97D, GLY146E, GLY149E, GLY311D, GLY316D, GLY83D, HIS214E, HIS308D, HIS3E, HIS92D, ILE102D, ILE106D, ILE147E, ILE186E, ILE257E, ILE310D, ILE86D, ILE94D, LEU101D, LEU144D, LEU144E, LEU213E, LEU225E, LEU309D, LEU87D, LYS119D, LYS132D, LYS133D, LYS172E, LYS179E, LYS232E, LYS307D, LYS88D, LYS98D, MET100D, MET145E, PHE111D, PHE188E, PHE218E, PHE221E, PHE315D, PHE84D, PRO177E, PRO178E, SER108D, SER110D, SER139D, SER142E, SER187E, SER191E, SER222E, SER317D, THR129D, THR174E, THR216E, TYR156E, TYR194E, TYR93E, VAL107D, VAL115D, VAL141E, VAL314D
• D-F: ARG209D, ASN81D, ASP207D, GLU78D, GLY83D, HIS3F, ILE86D, LEU80D, LEU87D, PHE84D, SER82D
• D-H: ALA90D, ALA90H, ARG175D, ARG176D, ARG209D, ARG209H, ARG219D, ARG219H, ARG220D, ARG220H, ARG49D, ARG49H, ARG58D, ARG58H, ARG66D, ARG66H, ARG77D, ARG77H, ARG99D, ARG99H, ASN217D, ASN217H, ASN224D, ASN47D, ASN47H, ASN65D, ASN65H, ASN81D, ASN81H, ASN95D, ASN95H, ASP207D, ASP207H, ASP45D, ASP45H, GLN56D, GLN56H, GLN89D, GLN89H, GLU215D, GLU215H, GLU306D, GLU43D, GLU43H, GLU52D, GLU52H, GLU67D, GLU67H, GLU78D, GLU78H, GLU91D, GLU91H, GLY10D, GLY10H, GLY211D, GLY211H, GLY42D, GLY42H, GLY68D, GLY68H, GLY72D, GLY72H, GLY83D, GLY83H, HIS205D, HIS205H, HIS62D, HIS62H, HIS92D, HIS92H, ILE210D, ILE210H, ILE310D, ILE61D, ILE61H, ILE86D, ILE86H, ILE94D, ILE94H, LEU12D, LEU12H, LEU198D, LEU198H, LEU206D, LEU206H, LEU223H, LEU225D, LEU46D, LEU46H, LEU51D, LEU51H, LEU54D, LEU54H, LEU6D, LEU6H, LEU80D, LEU80H, LEU85D, LEU85H, LEU87D, LEU87H, LYS268D, LYS48D, LYS48H, LYS88D, LYS88H, LYS98D, PHE218D, PHE218H, PHE221D, PHE221H, PHE41D, PHE41H, PHE50D, PHE50H, PHE53D, PHE53H, PHE63D, PHE63H, PHE64D, PHE64H, PHE74D, PHE74H, PHE7D, PHE7H, PHE84D, PHE84H, PRO208D, PRO208H, PRO60D, PRO60H, PRO76D, PRO76H, SER191D, SER199H, SER222D, SER222H, SER55D, SER55H, SER82D, SER82H, SER8D, SER9D, SER9H, THR11D, THR11H, THR195H, THR204D, THR216D, THR216H, THR73D, THR73H, TYR194D, TYR202D, TYR202H, TYR212D, TYR212H, TYR69D, TYR69H, TYR70D, TYR70H, TYR75D, TYR75H, TYR79D, TYR79H, TYR93D, TYR93H, VAL40D, VAL40H, VAL44D, VAL44H, VAL71D, VAL71H
• E-F: ARG109F, ARG27F, ARG290E, ARG290F, ARG58E, ARG58F, ASN289E, ASN34E, ASN34F, ASN81E, ASN81F, CYS20F, GLN313E, GLN313F, GLN56E, GLN56F, GLU2E, GLU2F, GLU312E, GLU312F, GLU33E, GLU33F, GLU78E, GLY311E, GLY311F, GLY83E, GLY83F, HIS285E, HIS303E, HIS303F, HIS3E, HIS3F, ILE19F, ILE30F, ILE310E, ILE310F, LEU288E, LEU80E, LEU80F, LYS286E, LYS287E, LYS28F, LYS304E, LYS304F, LYS307E, LYS307F, LYS57F, MET1E, MET1F, MET300E, MET300F, MET36E, MET36F, PHE315E, PHE315F, PHE53F, PRO31E, PRO31F, SER82E, SER82F, THR18F, TYR29E, TYR29F, TYR79E, TYR79F, VAL314E, VAL314F, VAL32E, VAL32F, VAL35E, VAL35F
• E-H: ALA90H, ARG209H, ARG219H, ARG99E, ARG99H, ASN140E, ASN140H, ASN217E, ASN217H, ASN95E, ASN95H, GLN89H, GLN96E, GLN96H, GLU143E, GLU143H, GLU215E, GLU215H, GLU91E, GLU91H, GLU97E, GLU97H, GLY211H, HIS214H, HIS3E, ILE210H, ILE94E, ILE94H, LEU213H, LEU223H, LYS98E, LYS98H, PHE218E, PHE218H, PRO208H, SER139E, SER139H, SER142E, SER142H, SER222H, THR216H, TYR212H, TYR93E, TYR93H, VAL141E, VAL141H
• F-G: ARG99F, ARG99G, ASN140F, ASN140G, ASN217F, ASN217G, ASN95F, ASN95G, GLN96F, GLN96G, GLU143F, GLU143G, GLU215F, GLU215G, GLU91F, GLU91G, GLU97F, GLU97G, ILE94F, ILE94G, LYS98F, LYS98G, PHE218F, PHE218G, SER139F, SER139G, SER142F, SER142G, TYR93F, TYR93G, VAL141F, VAL141G
• F-H: ARG209H, ARG219H, ARG220H, ASP207H, GLN89H, GLY211H, HIS3F, ILE201H, ILE210H, ILE86H, LEU198H, LEU223H, PHE221H, PHE84H, PRO208H, SER222H, THR216H, TYR202H
• G-H: ARG124G, ARG124H, ARG130G, ARG167G, ARG167H, ARG169G, ARG169H, ASP126G, ASP126H, ASP160G, ASP160H, ASP165G, ASP165H, GLU166G, GLU166H, GLU171G, GLU171H, LYS172H, MET158H, PHE168G, SER127H, SER157G, SER161G, SER161H, SER164G, VAL163G, VAL163H