3H9G

crystal structure of e. coli mccb + mcca-n7isoasn

• Total interactions analyzed: 28
• Total true interactions: 16
• Strongest Interaction:
  • Chains: C-H
  • Int. Res.: 26
  • Norm. En. per Res.: -5.3413
• Hub Node: B(6)

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	-154.0012	-9.3601	-1184.44	-1347.8013	353	64	48	49939	5	109	102
A-C	0.0	0.0	-0.0395	-0.0395	3	0	0	19	0	0	2
A-D	0.0	0.0	-0.0056	-0.0056	4	0	0	3	0	3	0
A-E	-42.7084	0.0	-134.941	-177.6494	55	5	3	5021	0	2	5
A-F	-32.8163	-24.2943	-74.5512	-131.6619	26	4	0	2556	1	2	3
B-C	-3.1471	-13.4334	-42.4559	-59.0363	64	1	0	2695	0	28	25
B-D	0.0	4.1043	-5.1889	-1.0846	28	0	0	646	0	7	15
B-E	-25.8432	-24.8443	-74.9647	-125.6522	25	2	0	2583	1	2	3
B-F	-49.7562	0.0	-124.759	-174.5152	55	7	3	5055	0	3	4
B-G	0.0	0.0	-0.1217	-0.1217	4	0	0	36	0	2	1
B-H	0.0	0.0	-0.2317	-0.2317	4	0	0	44	0	1	0
C-D	-188.3418	22.8332	-1149.1	-1314.6086	350	52	45	48522	7	107	105
C-G	-7.8961	0.0	-86.9951	-94.8912	48	3	4	3573	0	1	4
C-H	-45.1369	-27.411	-66.3256	-138.8735	26	5	0	2540	1	2	3
D-G	-16.0152	-19.3378	-29.7566	-65.1096	18	2	0	1139	1	2	3
D-H	-44.9771	0.0	-130.619	-175.5961	54	5	3	5050	0	2	4

Interface residues

• A-B: ALA12A, ALA12B, ALA135A, ALA135B, ALA244A, ALA244B, ALA265A, ALA265B, ALA289A, ALA289B, ALA292A, ALA292B, ALA298A, ALA298B, ALA299A, ALA299B, ALA300A, ALA300B, ALA303A, ALA303B, ALA304A, ALA304B, ALA42A, ALA42B, ALA58A, ALA58B, ARG13A, ARG13B, ARG157A, ARG157B, ARG176A, ARG176B, ARG181A, ARG181B, ARG285A, ARG285B, ARG322A, ARG322B, ARG7A, ARG7B, ARG91A, ARG91B, ARG94A, ARG94B, ASN128A, ASN128B, ASN152A, ASN152B, ASN154A, ASN154B, ASN182A, ASN182B, ASN241A, ASN241B, ASN274A, ASN274B, ASN283A, ASN283B, ASN295A, ASN295B, ASN296A, ASN296B, ASN37A, ASN37B, ASN59A, ASN59B, ASN84B, ASN89A, ASN90A, ASN90B, ASN95A, ASN95B, ASP148B, ASP164A, ASP164B, ASP165A, ASP165B, ASP214A, ASP214B, ASP242A, ASP242B, ASP266A, ASP266B, ASP276A, ASP276B, ASP305A, ASP305B, ASP328A, ASP328B, CYS302A, CYS302B, CYS44A, CYS44B, GLN100A, GLN100B, GLN110A, GLN158A, GLN158B, GLN335A, GLN335B, GLU151A, GLU151B, GLU163A, GLU163B, GLU177A, GLU177B, GLU184A, GLU184B, GLU26A, GLU26B, GLU271A, GLU273A, GLU315A, GLU315B, GLU329A, GLU329B, GLU36A, GLU36B, GLY124B, GLY125B, GLY138A, GLY138B, GLY15A, GLY15B, GLY17B, GLY18A, GLY18B, GLY21A, GLY21B, GLY22A, GLY22B, GLY23A, GLY23B, GLY24A, GLY24B, GLY269A, GLY324A, GLY324B, GLY6A, GLY6B, HIS129A, HIS129B, HIS277A, HIS277B, HIS333A, HIS333B, HIS98A, HIS98B, ILE11A, ILE11B, ILE133A, ILE133B, ILE185A, ILE185B, ILE243A, ILE243B, ILE275A, ILE275B, ILE279A, ILE279B, ILE282A, ILE282B, ILE307A, ILE307B, ILE323A, ILE323B, ILE325A, ILE325B, ILE330A, ILE330B, ILE332A, ILE332B, ILE38A, ILE38B, ILE39A, ILE39B, ILE46A, ILE46B, ILE4A, ILE4B, ILE60A, ILE60B, LEU113A, LEU113B, LEU134A, LEU134B, LEU155A, LEU155B, LEU160A, LEU160B, LEU178A, LEU178B, LEU179A, LEU179B, LEU19A, LEU19B, LEU267A, LEU267B, LEU281A, LEU281B, LEU301A, LEU301B, LEU317A, LEU317B, LEU319A, LEU319B, LEU32A, LEU32B, LEU5A, LEU5B, LEU72A, LEU72B, LEU97A, LEU97B, LYS10A, LYS10B, LYS170A, LYS170B, LYS180A, LYS180B, LYS25A, LYS25B, LYS262A, LYS262B, LYS272A, LYS272B, LYS278A, LYS278B, LYS280A, LYS280B, LYS287A, LYS287B, LYS308A, LYS308B, LYS321A, LYS321B, LYS331A, LYS331B, LYS40A, LYS40B, PHE161A, PHE161B, PHE217A, PHE246A, PHE246B, PHE286A, PHE286B, PHE291A, PHE291B, PHE45A, PHE45B, PHE77A, PHE77B, PHE96A, PHE96B, PRO288A, PRO288B, PRO293A, PRO293B, PRO316A, PRO316B, PRO48A, PRO48B, SER101A, SER101B, SER137A, SER137B, SER162A, SER162B, SER183A, SER183B, SER270A, SER284A, SER284B, SER314A, SER314B, SER318A, SER318B, SER327A, SER327B, SER334A, SER334B, SER93A, SER93B, THR136A, THR136B, THR153A, THR153B, THR156A, THR156B, THR290A, THR290B, THR41A, THR41B, THR47A, THR47B, THR57A, THR57B, TRP326A, TRP326B, TRP35A, TRP35B, TYR102A, TYR102B, TYR14A, TYR14B, TYR239A, TYR239B, TYR268A, TYR268B, TYR28A, TYR313A, TYR313B, TYR43A, TYR43B, TYR8A, TYR8B, TYR92A, TYR92B, TYR99A, TYR99B, VAL109A, VAL109B, VAL130A, VAL130B, VAL132A, VAL132B, VAL159A, VAL159B, VAL166A, VAL166B, VAL173A, VAL173B, VAL20A, VAL20B, VAL240A, VAL240B, VAL245A, VAL245B, VAL263A, VAL263B, VAL264A, VAL264B, VAL294A, VAL294B, VAL297A, VAL297B, VAL306A, VAL306B, VAL33A, VAL33B, VAL9A, VAL9B
• A-C: ASN152A, GLU30C, TYR28C
• A-D: ASN336D, ASP164A, GLU163A, HIS333D
• A-E: ALA213A, ALA237A, ALA244A, ALA265A, ALA298A, ALA6E, ARG2E, ARG322A, ASN218A, ASN221A, ASN236A, ASN241A, ASN283A, ASN336A, ASN5E, ASP214A, ASP266A, GLN335A, GLU259A, GLY238A, GLY247A, GLY324A, GLY4E, HIS215A, HIS333A, ILE126A, ILE220A, ILE243A, ILE323A, ILE325A, ILE332A, LEU219A, LEU267A, LYS262A, LYS321A, LYS331A, MET1E, MET337A, PHE217A, PHE246A, PHE286A, PRO216A, PRO288A, SER212A, SER334A, THR3E, TRP222A, TRP326A, TYR239A, TYR258A, TYR268A, VAL240A, VAL245A, VAL263A, VAL264A
• A-F: ALA12A, ALA6F, ARG13A, ARG2F, ASN5F, GLN27A, GLU26A, GLY15A, GLY18A, GLY21A, GLY22A, GLY23A, GLY24A, GLY4F, ILE11A, LEU19A, LYS10A, MET1F, THR3F, TRP35A, TYR14A, TYR28A, TYR8A, VAL20A, VAL29A, VAL9A
• B-C: ALA191B, ALA230B, ARG229B, ARG339C, ARG91B, ASN231B, ASN31C, ASN320C, ASN336C, ASN67C, ASN85B, ASN90B, ASP199B, CYS260C, CYS343C, GLN261C, GLN27C, GLN335C, GLU141B, GLU172B, GLU184B, GLU189B, GLU205B, GLU26C, GLU30C, GLU315C, GLU329C, GLY338C, HIS201B, HIS333C, ILE143B, ILE145B, ILE190B, ILE330C, ILE332C, LEU144B, LEU192B, LEU200B, LEU319C, LEU34C, LYS117B, LYS175B, LYS202B, LYS262C, LYS321C, LYS331C, MET337C, PRO204B, PRO341C, SER186B, SER188B, SER334C, SER340C, THR171B, THR198B, TRP209B, TYR197B, TYR226B, TYR28C, VAL119B, VAL187B, VAL203B, VAL263C, VAL342C
• B-D: ALA191B, ASN147B, ASN182B, ASN195B, ASP196B, ASP199B, GLU141B, GLU184B, GLU329D, GLY15D, HIS333D, ILE185B, ILE330D, ILE332D, LEU179B, LEU192B, LYS117B, LYS175B, LYS180B, LYS331D, SER183B, SER186B, SER188B, SER334D, TRP326D, TYR14D, TYR28D, VAL187B
• B-E: ALA12B, ALA6E, ARG13B, ARG2E, ASN5E, GLN27B, GLU26B, GLY15B, GLY18B, GLY21B, GLY22B, GLY23B, GLY24B, GLY4E, ILE11B, LEU19B, LYS10B, MET1E, THR3E, TRP35B, TYR14B, TYR28B, VAL20B, VAL29B, VAL9B
• B-F: ALA213B, ALA237B, ALA244B, ALA265B, ALA298B, ALA6F, ARG2F, ARG322B, ASN218B, ASN221B, ASN236B, ASN241B, ASN283B, ASN5F, ASP214B, ASP266B, GLN335B, GLU259B, GLY238B, GLY247B, GLY324B, GLY4F, HIS215B, HIS333B, ILE126B, ILE220B, ILE243B, ILE323B, ILE325B, ILE332B, LEU219B, LEU267B, LYS262B, LYS321B, LYS331B, MET1F, MET337B, PHE217B, PHE246B, PHE286B, PRO216B, PRO288B, SER212B, SER334B, THR3F, TRP222B, TRP326B, TYR239B, TYR258B, TYR268B, VAL223B, VAL240B, VAL245B, VAL263B, VAL264B
• B-G: ALA191B, ARG2G, ASN147B, LEU192B
• B-H: ARG2H, ARG91B, GLU184B, SER183B
• C-D: ALA12C, ALA12D, ALA135C, ALA135D, ALA244C, ALA244D, ALA265D, ALA289C, ALA289D, ALA292C, ALA292D, ALA298C, ALA298D, ALA299C, ALA299D, ALA300C, ALA300D, ALA303C, ALA303D, ALA304C, ALA304D, ALA42C, ALA42D, ALA58C, ALA58D, ARG13C, ARG13D, ARG157C, ARG157D, ARG176C, ARG176D, ARG181C, ARG181D, ARG285C, ARG285D, ARG322C, ARG322D, ARG7C, ARG7D, ARG91C, ARG91D, ARG94C, ARG94D, ASN128C, ASN128D, ASN152C, ASN152D, ASN154C, ASN154D, ASN182C, ASN182D, ASN241C, ASN241D, ASN274C, ASN274D, ASN283C, ASN283D, ASN295C, ASN295D, ASN296C, ASN296D, ASN37C, ASN37D, ASN59C, ASN59D, ASN84C, ASN84D, ASN90C, ASN90D, ASN95C, ASN95D, ASP148C, ASP164C, ASP164D, ASP165C, ASP165D, ASP214D, ASP242C, ASP242D, ASP266D, ASP276C, ASP276D, ASP305C, ASP305D, ASP328C, ASP328D, CYS302C, CYS302D, CYS44C, CYS44D, GLN100C, GLN100D, GLN158C, GLN158D, GLN335C, GLN335D, GLU151C, GLU151D, GLU163C, GLU163D, GLU177C, GLU177D, GLU184C, GLU184D, GLU26C, GLU26D, GLU271C, GLU273D, GLU315C, GLU315D, GLU329C, GLU329D, GLU36C, GLU36D, GLU88C, GLY124C, GLY125C, GLY125D, GLY138C, GLY138D, GLY15C, GLY17C, GLY17D, GLY18C, GLY18D, GLY21C, GLY21D, GLY22C, GLY22D, GLY23C, GLY23D, GLY24C, GLY24D, GLY269C, GLY324C, GLY324D, GLY6C, GLY6D, HIS129C, HIS129D, HIS277C, HIS277D, HIS333C, HIS333D, HIS98C, HIS98D, ILE11C, ILE11D, ILE133C, ILE133D, ILE150C, ILE185C, ILE185D, ILE243C, ILE243D, ILE275C, ILE275D, ILE279C, ILE279D, ILE282C, ILE282D, ILE307C, ILE307D, ILE323C, ILE323D, ILE325C, ILE325D, ILE330C, ILE330D, ILE332C, ILE332D, ILE38C, ILE38D, ILE39C, ILE39D, ILE46C, ILE46D, ILE4C, ILE4D, ILE60C, ILE60D, LEU113C, LEU113D, LEU134C, LEU134D, LEU155C, LEU155D, LEU160C, LEU160D, LEU178C, LEU178D, LEU179C, LEU179D, LEU19C, LEU19D, LEU267C, LEU267D, LEU281C, LEU281D, LEU301C, LEU301D, LEU317C, LEU317D, LEU319C, LEU319D, LEU32C, LEU32D, LEU5C, LEU5D, LEU72C, LEU72D, LEU97C, LEU97D, LYS10C, LYS10D, LYS170C, LYS170D, LYS180C, LYS180D, LYS25C, LYS25D, LYS262C, LYS262D, LYS272C, LYS272D, LYS278C, LYS278D, LYS280C, LYS280D, LYS287C, LYS287D, LYS308C, LYS308D, LYS321C, LYS321D, LYS331C, LYS331D, LYS40C, LYS40D, PHE161C, PHE161D, PHE246C, PHE246D, PHE286C, PHE286D, PHE291C, PHE291D, PHE45C, PHE45D, PHE77C, PHE77D, PHE96C, PHE96D, PRO288C, PRO288D, PRO293C, PRO293D, PRO316C, PRO316D, PRO48C, PRO48D, SER101C, SER101D, SER137C, SER137D, SER162C, SER162D, SER183C, SER183D, SER270C, SER284C, SER284D, SER314C, SER314D, SER318C, SER318D, SER327C, SER327D, SER334C, SER334D, SER93C, SER93D, THR136C, THR136D, THR153C, THR153D, THR156C, THR156D, THR290C, THR290D, THR41C, THR41D, THR47C, THR47D, THR57C, THR57D, THR87C, TRP326C, TRP326D, TRP35C, TRP35D, TYR102C, TYR102D, TYR14C, TYR14D, TYR239C, TYR239D, TYR268C, TYR268D, TYR28C, TYR313C, TYR313D, TYR43C, TYR43D, TYR8C, TYR8D, TYR92C, TYR92D, TYR99C, TYR99D, VAL109C, VAL109D, VAL130C, VAL130D, VAL132C, VAL132D, VAL159C, VAL159D, VAL166C, VAL173C, VAL173D, VAL20C, VAL20D, VAL240C, VAL240D, VAL245C, VAL245D, VAL263C, VAL263D, VAL264C, VAL264D, VAL294C, VAL294D, VAL297C, VAL297D, VAL306C, VAL306D, VAL33D, VAL9C, VAL9D
• C-G: ALA213C, ALA237C, ALA244C, ALA298C, ALA6G, ARG2G, ARG322C, ASN218C, ASN221C, ASN236C, ASN241C, ASN336C, ASN5G, ASP214C, GLN335C, GLY238C, GLY247C, GLY324C, HIS215C, HIS333C, ILE126C, ILE220C, ILE243C, ILE323C, ILE325C, ILE332C, LEU219C, LEU267C, LYS262C, LYS321C, LYS331C, MET1G, MET337C, PHE217C, PHE246C, PHE286C, PRO216C, PRO288C, SER212C, SER334C, TRP326C, TYR239C, TYR258C, VAL211C, VAL240C, VAL245C, VAL263C, VAL264C
• C-H: ALA12C, ALA6H, ARG13C, ARG2H, ASN5H, GLN27C, GLU26C, GLY18C, GLY21C, GLY22C, GLY23C, GLY24C, GLY4H, ILE11C, LEU19C, LYS10C, LYS25C, MET1H, THR3H, TRP35C, TYR14C, TYR28C, TYR8C, VAL20C, VAL29C, VAL9C
• D-G: ALA12D, ARG2G, ASN5G, GLN27D, GLU26D, GLY15D, GLY18D, GLY21D, GLY22D, GLY23D, GLY24D, LEU19D, LYS10D, MET1G, TYR14D, TYR28D, VAL20D, VAL29D
• D-H: ALA213D, ALA237D, ALA244D, ALA265D, ALA298D, ALA6H, ARG2H, ARG322D, ASN218D, ASN221D, ASN236D, ASN241D, ASN283D, ASN5H, ASP214D, ASP266D, GLN335D, GLU259D, GLY238D, GLY247D, GLY324D, GLY4H, HIS215D, HIS333D, ILE126D, ILE220D, ILE243D, ILE323D, ILE325D, ILE332D, LEU219D, LEU267D, LYS262D, LYS321D, LYS331D, MET1H, PHE217D, PHE246D, PHE286D, PRO216D, PRO288D, SER212D, SER334D, THR3H, TRP222D, TRP326D, TYR239D, TYR258D, TYR268D, VAL211D, VAL240D, VAL245D, VAL263D, VAL264D