3MMU

crystal structure of endoglucanase cel5a from the hyperthermophilic thermotoga maritima

• Total interactions analyzed: 28
• Total true interactions: 20
• Strongest Interaction:
  • Chains: F-H
  • Int. Res.: 12
  • Norm. En. per Res.: -2.9531
• 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	-49.4042	13.328	-265.389	-301.4652	146	22	1	11597	2	78	65
A-C	0.0	0.0	-33.1188	-33.1188	16	2	1	1019	0	0	3
A-D	-7.8703	12.7635	-50.8264	-45.9332	46	2	0	2456	1	37	26
A-G	-3.0146	52.609	28.1646	77.7589	63	33	0	3485	3	43	48
A-H	0.0	18.5224	7.8186	26.341	27	17	0	717	0	23	24
B-C	0.0	12.9536	-40.0992	-27.1456	39	0	0	1907	1	29	23
B-D	0.0	0.0	-32.4976	-32.4976	12	0	1	864	0	0	1
B-F	0.0	15.4955	-69.12	-53.6245	52	0	0	2948	0	47	50
B-G	0.0	17.4775	-12.1793	5.2982	32	0	0	974	0	24	27
C-D	-40.1344	39.4627	-259.865	-260.5366	142	11	0	11095	1	77	65
C-E	0.0	30.8583	-37.6663	-6.808	51	0	0	1956	0	36	41
C-F	0.0	5.3659	-6.2657	-0.8998	17	1	0	349	0	19	19
D-E	0.0	24.4751	-8.141	16.3341	21	1	0	438	0	22	21
D-H	-3.8073	12.5935	-70.7381	-61.952	51	2	0	3121	0	50	52
E-F	-53.2899	37.375	-287.11	-303.0249	147	17	0	11884	2	80	67
E-G	0.0	0.0	-28.7075	-28.7075	16	0	1	912	0	0	3
E-H	0.0	12.4184	-44.8184	-32.4	42	0	0	2054	1	32	23
F-G	-5.4291	12.6669	-44.4946	-37.2569	43	0	0	2112	1	32	24
F-H	0.0	0.0	-35.4371	-35.4371	12	0	1	898	0	0	1
G-H	-49.5158	34.2378	-273.369	-288.647	142	13	0	11426	2	78	66

Interface residues

• A-B: ALA208A, ALA208B, ALA24A, ALA24B, ALA60A, ALA60B, ALA62A, ALA62B, ARG110A, ARG110B, ARG258A, ARG258B, ARG299A, ARG299B, ARG55A, ARG55B, ARG71A, ARG71B, ASN102A, ASN102B, ASN140A, ASN140B, ASN20A, ASN20B, ASN26A, ASN26B, ASP103A, ASP103B, ASP296A, ASP296B, ASP29A, ASP29B, CYS289A, CYS289B, GLU105A, GLU105B, GLU106A, GLU106B, GLU109A, GLU109B, GLU209A, GLU209B, GLU212A, GLU212B, GLU215A, GLU215B, GLU27A, GLU27B, GLU98A, GLU98B, GLU99A, GLU99B, GLY139A, GLY139B, GLY207A, GLY207B, GLY213A, GLY213B, GLY28A, GLY28B, GLY291A, GLY291B, GLY293A, GLY31A, GLY31B, HIS107A, HIS107B, HIS138A, HIS138B, HIS59A, HIS59B, HIS96A, HIS96B, ILE34A, LEU100A, LEU100B, LEU141B, LEU218A, LEU218B, LEU298A, LEU298B, LYS108A, LYS108B, LYS216A, LYS216B, LYS259A, LYS259B, LYS300A, LYS35A, LYS35B, LYS67A, LYS67B, MET101A, MET101B, MET69A, MET69B, PHE292A, PHE292B, PHE38A, PHE38B, PHE63A, PHE63B, PHE72A, PHE72B, PRO104A, PRO104B, PRO25A, PRO25B, PRO64A, PRO64B, PRO65A, PRO65B, SER214A, SER214B, SER290A, SER290B, SER57A, SER57B, THR297A, THR297B, THR58A, THR58B, TRP173A, TRP173B, TRP210A, TRP210B, TRP217A, TRP217B, TRP30A, TRP30B, TRP56A, TRP56B, TYR257A, TYR257B, TYR61A, TYR61B, TYR66A, TYR66B, TYR97A, TYR97B, VAL211A, VAL211B, VAL32A, VAL32B, VAL33A, VAL33B
• A-C: ALA62A, ALA62C, GLU106A, GLU106C, GLU109A, GLU109C, PHE63A, PHE63C, PRO64A, PRO64C, PRO65A, PRO65C, TYR61A, TYR61C, TYR66A, TYR66C
• A-D: ALA113A, ALA113D, ALA62A, ALA62D, ARG110A, ARG110D, ARG158D, ASP103A, GLU105A, GLU105D, GLU106A, GLU106D, GLU109A, GLU109D, GLU148A, GLU151A, GLU152A, GLU152D, HIS107A, HIS107D, ILE160D, LEU112A, LEU112D, LEU149A, LYS108A, LYS108D, LYS116A, LYS116D, LYS155A, LYS155D, LYS162A, LYS162D, LYS67D, PHE63A, PHE63D, PRO104A, PRO64A, PRO64D, PRO65A, PRO65D, SER159A, SER159D, TYR66A, TYR66D, VAL156A, VAL156D
• A-G: ARG220A, ARG220G, ASN236A, ASN236G, ASP226A, ASP226G, ASP227A, ASP227G, GLN206A, GLN228A, GLN228G, GLU180A, GLU180G, GLU202A, GLU202G, GLU212A, GLU212G, GLU233A, GLU233G, GLU234A, GLU234G, GLU240A, GLU240G, GLY213A, GLY213G, GLY219A, GLY219G, GLY223A, GLY223G, HIS230A, HIS230G, ILE176A, ILE176G, ILE238A, ILE238G, LEU179A, LEU179G, LEU218A, LEU218G, LYS181A, LYS181G, LYS216A, LYS216G, LYS221A, LYS221G, LYS229A, LYS229G, PHE203A, PHE203G, PHE237A, PHE237G, PRO200A, PRO200G, PRO225A, PRO225G, SER224A, SER224G, TRP217A, TRP217G, TRP222A, TRP222G, TRP241A, TRP241G
• A-H: ARG299H, ARG71H, ARG75H, ASN245A, ASP296H, ASP40H, GLU144A, GLU148A, GLU180A, GLU240A, GLU37H, GLU78H, ILE41H, LEU298H, LYS145A, LYS181A, LYS186A, LYS244A, LYS300H, LYS35H, LYS74H, PHE237A, PHE38H, THR142A, THR297H, TYR295H, VAL33H
• B-C: ALA113B, ALA113C, ALA62B, ARG110B, ARG110C, ASP103C, GLU105B, GLU105C, GLU106B, GLU106C, GLU109B, GLU109C, GLU148C, GLU151C, GLU152B, GLU152C, HIS107C, LEU112C, LEU149C, LYS108B, LYS108C, LYS116B, LYS116C, LYS155B, LYS155C, LYS67B, PHE63B, PHE63C, PRO104C, PRO64B, PRO64C, PRO65B, PRO65C, SER159B, SER159C, TYR66B, TYR66C, VAL156B, VAL156C
• B-D: ALA62B, ALA62D, PHE63B, PHE63D, PRO64B, PRO64D, PRO65B, PRO65D, TYR61B, TYR61D, TYR66B, TYR66D
• B-F: ARG121B, ARG121F, ASN81B, ASN81F, ASP120B, ASP120F, ASP124B, ASP124F, ASP161B, ASP161F, ASP70B, ASP70F, ASP77B, ASP77F, GLU127B, GLU127F, GLU78B, GLU78F, GLY82B, GLY82F, HIS164B, HIS164F, ILE160B, ILE160F, ILE80B, ILE80F, LEU129B, LEU129F, LEU84B, LEU84F, LYS123B, LYS123F, LYS162B, LYS162F, LYS163B, LYS163F, LYS67B, LYS67F, LYS74B, LYS74F, LYS85B, LYS85F, PHE73F, PRO126B, PRO126F, SER159B, SER159F, THR128F, TYR122B, TYR122F, TYR125B, TYR125F
• B-G: ARG299B, ARG71B, ARG75B, ASN147G, ASN245G, ASP296B, ASP36B, ASP40B, GLU144G, GLU148G, GLU180G, GLU240G, GLU37B, GLU78B, LEU182G, LEU298B, LYS145G, LYS181G, LYS186G, LYS244G, LYS300B, LYS35B, LYS74B, PHE237G, PRO143G, SER183G, THR142G, THR297B, THR301B, TRP241G, TYR295B, VAL33B
• C-D: ALA208C, ALA208D, ALA24C, ALA24D, ALA60C, ALA60D, ALA62C, ALA62D, ARG110C, ARG110D, ARG258C, ARG258D, ARG299C, ARG299D, ARG55C, ARG55D, ARG71C, ARG71D, ASN102C, ASN102D, ASN140C, ASN140D, ASN20C, ASN20D, ASN26C, ASN26D, ASP103C, ASP103D, ASP296C, ASP296D, ASP29C, ASP29D, CYS289C, CYS289D, GLU105C, GLU105D, GLU106C, GLU106D, GLU109C, GLU109D, GLU209C, GLU209D, GLU212C, GLU212D, GLU215C, GLU215D, GLU27C, GLU27D, GLU98C, GLU98D, GLU99C, GLU99D, GLY139C, GLY139D, GLY207C, GLY207D, GLY213C, GLY213D, GLY28C, GLY28D, GLY291C, GLY291D, GLY31C, GLY31D, HIS107C, HIS107D, HIS138C, HIS138D, HIS59C, HIS59D, HIS96C, HIS96D, ILE34C, ILE34D, LEU100C, LEU100D, LEU218C, LEU218D, LEU298C, LEU298D, LYS108C, LYS108D, LYS216C, LYS216D, LYS259C, LYS259D, LYS35C, LYS35D, LYS67C, LYS67D, MET101C, MET101D, MET69C, MET69D, PHE38C, PHE38D, PHE63C, PHE63D, PHE72C, PHE72D, PRO104C, PRO104D, PRO25C, PRO25D, PRO64C, PRO64D, PRO65C, PRO65D, SER214C, SER214D, SER290C, SER290D, SER57C, SER57D, THR297C, THR297D, THR58C, THR58D, TRP173C, TRP173D, TRP210C, TRP210D, TRP217C, TRP217D, TRP30C, TRP30D, TRP56C, TRP56D, TYR257C, TYR257D, TYR61C, TYR61D, TYR66C, TYR66D, TYR97C, TYR97D, VAL211C, VAL211D, VAL32C, VAL32D, VAL33C, VAL33D
• C-E: ARG220C, ARG220E, ASN236E, ASP226C, ASP226E, ASP227C, ASP227E, GLN228E, GLU180C, GLU180E, GLU202C, GLU202E, GLU212C, GLU212E, GLU233C, GLU233E, GLU234C, GLU234E, GLU240C, GLU240E, GLY213C, GLY213E, GLY219C, GLY223C, GLY223E, HIS230C, HIS230E, ILE238E, LYS181C, LYS181E, LYS216C, LYS216E, LYS221C, LYS221E, LYS229C, LYS229E, PHE203C, PHE237C, PHE237E, PRO200C, PRO200E, PRO225C, PRO225E, SER224C, SER224E, TRP217C, TRP217E, TRP222C, TRP222E, TRP241C, TRP241E
• C-F: ARG299F, ARG71F, ARG75F, GLU144C, GLU180C, GLU240C, GLU37F, GLU78F, LEU298F, LYS181C, LYS186C, LYS244C, LYS300F, LYS35F, THR142C, THR297F, VAL33F
• D-E: ARG299D, ARG71D, ARG75D, ASN147E, GLU144E, GLU148E, GLU180E, GLU240E, GLU37D, GLU78D, ILE41D, LEU298D, LYS181E, LYS186E, LYS244E, LYS300D, LYS35D, LYS74D, THR142E, THR297D, VAL33D
• D-H: ARG121D, ARG121H, ASN81D, ASN81H, ASP120D, ASP120H, ASP124D, ASP124H, ASP161D, ASP161H, ASP70D, ASP70H, ASP77D, ASP77H, GLU127D, GLU127H, GLU78D, GLU78H, GLY82D, GLY82H, HIS164D, HIS164H, ILE160D, ILE160H, ILE80D, ILE80H, LEU129D, LEU129H, LEU84D, LEU84H, LYS123D, LYS123H, LYS162D, LYS162H, LYS163D, LYS163H, LYS67D, LYS67H, LYS74D, LYS74H, LYS85D, LYS85H, PRO126D, PRO126H, SER159D, SER159H, THR128D, TYR122D, TYR122H, TYR125D, TYR125H
• E-F: ALA208E, ALA208F, ALA24E, ALA24F, ALA60E, ALA60F, ALA62E, ALA62F, ARG110E, ARG110F, ARG258E, ARG258F, ARG299E, ARG299F, ARG55E, ARG55F, ARG71E, ARG71F, ASN102E, ASN102F, ASN140E, ASN140F, ASN20E, ASN20F, ASN26E, ASN26F, ASP103E, ASP103F, ASP296E, ASP296F, ASP29E, ASP29F, CYS289E, CYS289F, GLU105E, GLU105F, GLU106E, GLU106F, GLU109E, GLU109F, GLU209E, GLU209F, GLU212E, GLU212F, GLU215E, GLU215F, GLU27E, GLU27F, GLU98E, GLU98F, GLU99E, GLU99F, GLY139E, GLY139F, GLY207E, GLY207F, GLY213E, GLY213F, GLY28E, GLY28F, GLY291E, GLY291F, GLY293E, GLY293F, GLY31E, GLY31F, HIS107E, HIS107F, HIS138E, HIS138F, HIS59E, HIS59F, HIS96E, HIS96F, ILE34E, ILE34F, LEU100E, LEU100F, LEU218E, LEU218F, LEU298E, LEU298F, LYS108E, LYS108F, LYS216E, LYS216F, LYS259E, LYS259F, LYS300E, LYS35E, LYS35F, LYS67E, LYS67F, MET101E, MET101F, MET69E, MET69F, PHE292E, PHE292F, PHE38E, PHE38F, PHE63E, PHE63F, PHE72E, PHE72F, PRO104E, PRO104F, PRO25E, PRO25F, PRO64E, PRO64F, PRO65E, PRO65F, SER214E, SER214F, SER290E, SER290F, SER57E, SER57F, THR297E, THR297F, THR58E, THR58F, TRP173E, TRP173F, TRP210E, TRP210F, TRP217E, TRP217F, TRP30E, TRP30F, TRP56E, TRP56F, TYR257E, TYR257F, TYR61E, TYR61F, TYR66E, TYR66F, TYR97E, TYR97F, VAL211E, VAL211F, VAL32E, VAL32F, VAL33E, VAL33F
• E-G: ALA62E, ALA62G, GLU106E, GLU106G, GLU109E, GLU109G, PHE63E, PHE63G, PRO64E, PRO64G, PRO65E, PRO65G, TYR61E, TYR61G, TYR66E, TYR66G
• E-H: ALA113E, ALA113H, ALA62E, ALA62H, ARG110E, ARG110H, ARG158H, ASP103E, GLU105E, GLU105H, GLU106E, GLU106H, GLU109E, GLU109H, GLU148E, GLU151E, GLU152E, GLU152H, HIS107E, ILE160H, LEU112E, LEU149E, LYS108E, LYS108H, LYS116E, LYS116H, LYS155E, LYS155H, LYS162H, LYS67H, PHE63E, PHE63H, PRO104E, PRO64E, PRO64H, PRO65E, PRO65H, SER159E, SER159H, TYR66E, TYR66H, VAL156H
• F-G: ALA113F, ALA113G, ALA62F, ALA62G, ARG110F, ARG110G, ARG158F, ASP103G, GLU105F, GLU105G, GLU106F, GLU106G, GLU109F, GLU109G, GLU148G, GLU151G, GLU152F, GLU152G, HIS107G, ILE160F, LEU112G, LEU149G, LYS108F, LYS108G, LYS116F, LYS116G, LYS155F, LYS155G, LYS162F, LYS67F, PHE63F, PHE63G, PRO104G, PRO64F, PRO64G, PRO65F, PRO65G, SER159F, SER159G, TYR66F, TYR66G, VAL156F, VAL156G
• F-H: ALA62F, ALA62H, PHE63F, PHE63H, PRO64F, PRO64H, PRO65F, PRO65H, TYR61F, TYR61H, TYR66F, TYR66H
• G-H: ALA208G, ALA208H, ALA24G, ALA24H, ALA60G, ALA60H, ALA62G, ALA62H, ARG110G, ARG110H, ARG258G, ARG258H, ARG299G, ARG299H, ARG55G, ARG55H, ARG71G, ARG71H, ASN102G, ASN102H, ASN140G, ASN140H, ASN20G, ASN20H, ASN26G, ASN26H, ASP103G, ASP103H, ASP296G, ASP296H, ASP29G, ASP29H, CYS289G, CYS289H, GLU105G, GLU105H, GLU106G, GLU106H, GLU109G, GLU109H, GLU209G, GLU209H, GLU212G, GLU212H, GLU215G, GLU215H, GLU27G, GLU27H, GLU98G, GLU98H, GLU99G, GLU99H, GLY139G, GLY139H, GLY207G, GLY207H, GLY213G, GLY213H, GLY28G, GLY28H, GLY291G, GLY291H, GLY31G, GLY31H, HIS107G, HIS107H, HIS138G, HIS138H, HIS59G, HIS59H, HIS96G, HIS96H, ILE34G, ILE34H, LEU100G, LEU100H, LEU218G, LEU218H, LEU298G, LEU298H, LYS108G, LYS108H, LYS216G, LYS216H, LYS259G, LYS259H, LYS35G, LYS35H, LYS67G, LYS67H, MET101G, MET101H, MET69G, MET69H, PHE38G, PHE38H, PHE63G, PHE63H, PHE72G, PHE72H, PRO104G, PRO104H, PRO25G, PRO25H, PRO64G, PRO64H, PRO65G, PRO65H, SER214G, SER214H, SER290G, SER290H, SER57G, SER57H, THR297G, THR297H, THR58G, THR58H, TRP173G, TRP173H, TRP210G, TRP210H, TRP217G, TRP217H, TRP30G, TRP30H, TRP56G, TRP56H, TYR257G, TYR257H, TYR61G, TYR61H, TYR66G, TYR66H, TYR97G, TYR97H, VAL211G, VAL211H, VAL32G, VAL32H, VAL33G, VAL33H