2IB5

structural characterization of a blue chromoprotein and its yellow mutant from the sea anemone cnidopus japonicus

• Total interactions analyzed: 28
• Total true interactions: 20
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 155
  • Norm. En. per Res.: -3.7428
• 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	-27.9133	-3.1385	-281.864	-312.9159	114	23	1	11508	0	20	19
A-C	0.0	4.6561	-1.759	2.8971	8	0	0	167	0	2	4
A-D	-167.1395	-11.4767	-401.518	-580.1342	155	39	7	16521	8	56	53
A-F	0.0	0.0	-0.0916	-0.0916	8	0	0	49	0	2	9
A-G	0.0	0.0	-16.4104	-16.4104	15	0	1	841	0	6	8
B-C	-114.3346	-16.3907	-407.241	-537.9662	158	30	7	16441	8	56	52
B-D	0.0	4.5344	-1.4399	3.0946	8	0	0	153	0	2	4
B-E	-10.8376	-8.0148	-68.266	-87.1184	45	6	1	3223	0	10	15
B-G	0.0	0.0	-0.6001	-0.6001	6	0	0	98	0	0	0
B-H	0.0	-10.3045	-32.2334	-42.5379	27	2	0	1283	2	7	4
C-D	-48.8386	0.9802	-287.152	-335.0103	115	16	1	11720	0	20	19
C-E	0.0	-1.6862	-18.9559	-20.6421	21	1	0	934	0	7	4
D-E	0.0	0.0	-0.5945	-0.5945	5	0	0	83	0	0	0
D-F	0.0	-0.9121	-12.8505	-13.7626	13	0	1	608	0	5	6
E-F	-41.4449	0.0	-283.167	-324.6119	116	14	1	11710	0	20	19
E-G	0.0	4.5855	-1.9758	2.6097	12	0	0	186	0	2	4
E-H	-81.2118	-3.1386	-423.743	-508.0934	157	25	7	16495	8	56	54
F-G	-106.0744	-14.4905	-392.384	-512.949	155	42	7	16598	8	55	53
F-H	0.0	4.7948	-1.8184	2.9763	8	0	0	172	0	4	4
G-H	-28.0387	-5.7881	-290.203	-324.0298	116	13	1	11620	0	21	19

Interface residues

• A-B: ALA100A, ALA100B, ARG150A, ARG150B, ARG175A, ARG175B, ARG179A, ARG179B, ARG92A, ARG92B, ASN125A, ASN125B, ASN129A, ASN129B, ASN20A, ASN20B, ASN21A, ASN21B, ASP151A, ASP151B, ASP98A, ASP98B, CYS124A, CYS124B, CYS155A, CYS155B, GLN105A, GLN105B, GLN106A, GLN106B, GLN157A, GLN157B, GLU107A, GLU107B, GLU16A, GLU16B, GLU91A, GLU91B, GLU97A, GLY123A, GLY123B, GLY130A, GLY130B, GLY152A, GLY152B, GLY156A, GLY156B, GLY17A, GLY17B, GLY99A, GLY99B, HIS173A, HIS173B, HIS22A, HIS22B, HIS23A, HIS23B, ILE119A, ILE119B, ILE121A, ILE121B, ILE95A, ILE95B, LEU102A, LEU102B, LEU122A, LEU122B, LEU154A, LEU174A, LEU174B, LYS120A, LYS120B, LYS181A, LYS181B, PHE126A, PHE126B, PHE24B, PHE88A, PHE88B, PRO127A, PRO127B, PRO128A, PRO128B, THR103A, THR103B, THR104A, THR104B, THR108A, THR108B, THR176A, THR176B, THR177A, THR177B, THR18A, THR18B, THR89A, THR89B, THR93A, THR93B, THR94A, THR94B, TRP90A, TRP90B, TYR101A, TYR101B, TYR148B, TYR178A, TYR178B, TYR96A, TYR96B, VAL153A, VAL153B, VAL19A, VAL19B
• A-C: ASP98A, ASP98C, GLU97A, GLU97C, GLY99A, GLY99C, TYR96A, TYR96C
• A-D: ALA161A, ALA161D, ALA219A, ALA219D, ARG147A, ARG147D, ARG150A, ARG150D, ARG175A, ARG175D, ARG198A, ARG198D, ARG220A, ARG220D, ASN168A, ASN168D, ASN232A, ASN232D, ASP151A, ASP151D, ASP166A, ASP166D, ASP196A, ASP196D, ASP98A, ASP98D, CYS143A, CYS143D, CYS144A, CYS144D, CYS155A, CYS155D, CYS164A, CYS172A, CYS172D, CYS222A, CYS222D, CYS225A, CYS225D, GLN138A, GLN138D, GLN157A, GLN157D, GLN213A, GLN213D, GLN223A, GLN223D, GLN39D, GLU141A, GLU141D, GLU145A, GLU145D, GLU200A, GLU200D, GLU212A, GLU212D, GLU215A, GLU215D, GLU97A, GLU97D, GLY139A, GLY139D, GLY152A, GLY152D, GLY156A, GLY156D, GLY167A, GLY167D, GLY230A, GLY230D, GLY37A, GLY37D, HIS169A, HIS169D, HIS173A, HIS173D, HIS193A, HIS193D, HIS197A, HIS197D, HIS214A, HIS214D, HIS231A, HIS231D, ILE201A, ILE201D, ILE95A, ILE95D, LEU159A, LEU159D, LEU162A, LEU162D, LEU170A, LEU170D, LEU174A, LEU174D, LEU229A, LEU229D, LYS163A, LYS163D, LYS203A, LYS203D, LYS228A, LYS228D, LYS33D, LYS71A, LYS71D, PHE192A, PHE192D, PHE194A, PHE194D, PRO131A, PRO131D, PRO142A, PRO142D, PRO190A, PRO190D, PRO191A, PRO191D, PRO199A, PRO199D, PRO226A, PRO226D, SER195A, SER195D, SER216A, SER216D, SER217A, SER217D, SER227A, SER227D, THR149A, THR149D, THR158A, THR158D, THR171A, THR171D, THR224A, THR224D, THR38A, THR38D, THR73A, THR73D, TRP140A, TRP140D, TYR148A, TYR148D, TYR221A, TYR221D, TYR96A, TYR96D, VAL202A, VAL202D, VAL218A, VAL218D
• A-F: LYS185A, LYS185F, PHE192F, PRO190F, PRO191A, PRO191F, THR149A, THR149F
• A-G: ALA165G, ALA183A, ALA184A, ALA186A, ASN168G, ASP166G, CYS164G, GLN138G, GLU141G, GLY167G, HIS169G, LYS163G, LYS181A, LYS182A, LYS185A
• B-C: ALA161B, ALA161C, ALA219B, ALA219C, ARG147B, ARG147C, ARG150B, ARG150C, ARG175B, ARG175C, ARG198B, ARG198C, ARG220B, ARG220C, ASN168B, ASN168C, ASN232B, ASN232C, ASP151B, ASP151C, ASP166B, ASP166C, ASP196B, ASP196C, ASP98B, ASP98C, CYS143B, CYS143C, CYS144B, CYS144C, CYS155B, CYS155C, CYS164B, CYS164C, CYS172B, CYS172C, CYS222B, CYS222C, CYS225B, CYS225C, GLN138B, GLN138C, GLN157B, GLN157C, GLN213B, GLN213C, GLN223B, GLN223C, GLN39B, GLU141B, GLU141C, GLU145B, GLU145C, GLU200B, GLU200C, GLU212B, GLU212C, GLU215B, GLU215C, GLU36B, GLU97B, GLU97C, GLY139B, GLY139C, GLY152B, GLY152C, GLY156B, GLY156C, GLY167B, GLY167C, GLY230B, GLY230C, GLY37B, GLY37C, HIS169B, HIS169C, HIS173B, HIS173C, HIS193B, HIS193C, HIS197B, HIS197C, HIS214B, HIS214C, HIS231B, HIS231C, ILE201B, ILE201C, ILE95B, ILE95C, LEU159B, LEU159C, LEU162B, LEU162C, LEU170B, LEU170C, LEU174B, LEU174C, LEU229B, LEU229C, LYS163B, LYS163C, LYS203B, LYS203C, LYS228B, LYS228C, LYS71B, LYS71C, PHE192B, PHE192C, PHE194B, PHE194C, PRO131B, PRO131C, PRO142B, PRO142C, PRO190B, PRO190C, PRO191B, PRO191C, PRO199B, PRO199C, PRO226B, PRO226C, SER195B, SER195C, SER216B, SER216C, SER217B, SER217C, SER227B, SER227C, THR149B, THR149C, THR158B, THR158C, THR171B, THR171C, THR224B, THR224C, THR38B, THR38C, THR70B, THR70C, THR73B, THR73C, TRP140B, TRP140C, TYR148B, TYR148C, TYR221B, TYR221C, TYR96B, TYR96C, VAL202B, VAL202C, VAL218B, VAL218C
• B-D: ASP98B, ASP98D, GLU97B, GLU97D, GLY99B, GLY99D, TYR96B, TYR96D
• B-E: ALA165B, ALA165E, ASN129B, ASN129E, ASN168B, ASN168E, ASN207B, ASN207E, ASP166B, ASP166E, CYS164B, CYS164E, GLN134B, GLN134E, GLN138B, GLN138E, GLY130B, GLY130E, GLY139B, GLY139E, GLY167B, GLY167E, GLY208B, GLY208E, LEU51B, LYS135B, LYS135E, LYS136B, LYS136E, LYS163B, LYS163E, PHE211B, PHE53B, PHE55B, PRO128B, PRO128E, PRO131B, PRO131E, PRO50B, SER54B, SER54E, THR137B, THR137E, VAL204B, VAL204E
• B-G: ASN129G, ASN207B, GLN134G, LYS135B, PRO128G, PRO50B
• B-H: ALA183H, ALA184H, ALA186H, ALA28B, ARG150H, ASN207B, ASN42B, ASP151H, GLN188H, GLU206B, GLU27B, GLU29B, GLY152H, GLY208B, ILE43B, LEU187H, LEU210B, LYS185H, LYS203B, LYS44B, PRO50B, SER205B, THR149H, THR209B, THR46B, VAL153H, VAL45B
• C-D: ALA100C, ALA100D, ARG150C, ARG150D, ARG175C, ARG175D, ARG179C, ARG179D, ARG92C, ARG92D, ASN125C, ASN125D, ASN129C, ASN129D, ASN20C, ASN20D, ASN21C, ASN21D, ASP151C, ASP151D, ASP98C, ASP98D, CYS124C, CYS124D, CYS155C, CYS155D, GLN105C, GLN105D, GLN106C, GLN106D, GLN157C, GLN157D, GLU107C, GLU107D, GLU16C, GLU16D, GLU91C, GLU91D, GLU97C, GLU97D, GLY123C, GLY123D, GLY130C, GLY130D, GLY152C, GLY152D, GLY156C, GLY156D, GLY17C, GLY17D, GLY99C, GLY99D, HIS173C, HIS173D, HIS22C, HIS22D, HIS23C, HIS23D, ILE119C, ILE119D, ILE121C, ILE121D, ILE95C, ILE95D, LEU102C, LEU102D, LEU122C, LEU122D, LEU174C, LEU174D, LYS120C, LYS120D, LYS181C, LYS181D, PHE126C, PHE126D, PHE24D, PHE88C, PHE88D, PRO127C, PRO127D, PRO128C, PRO128D, SER180C, SER180D, THR103C, THR103D, THR104C, THR104D, THR108D, THR176C, THR176D, THR177C, THR177D, THR18C, THR18D, THR89C, THR89D, THR93C, THR93D, THR94C, THR94D, TRP90C, TRP90D, TYR101C, TYR101D, TYR148D, TYR178C, TYR178D, TYR96C, TYR96D, VAL153C, VAL153D, VAL19C, VAL19D
• C-E: ALA183C, ALA184C, ALA186C, ARG150C, ASN207E, ASP151C, GLN188C, GLU206E, GLY152C, GLY208E, LEU187C, LEU210E, LYS185C, LYS203E, LYS44E, PRO50E, SER205E, THR149C, THR209E, THR46E, VAL153C
• D-E: ASN129D, ASN207E, GLN134D, PRO128D, PRO50E
• D-F: ALA165D, ALA183F, ALA184F, ALA186F, ASN168D, ASP166D, CYS164D, GLN138D, GLY167D, LYS163D, LYS181F, LYS182F, LYS185F
• E-F: ALA100E, ALA100F, ARG150E, ARG150F, ARG175E, ARG175F, ARG179E, ARG179F, ARG92E, ARG92F, ASN125E, ASN125F, ASN129E, ASN129F, ASN20E, ASN20F, ASN21E, ASN21F, ASP151E, ASP151F, ASP98E, ASP98F, CYS124E, CYS124F, CYS155E, CYS155F, GLN105E, GLN105F, GLN106E, GLN106F, GLN157E, GLN157F, GLU107E, GLU107F, GLU16E, GLU16F, GLU91E, GLU91F, GLU97E, GLU97F, GLY123E, GLY123F, GLY130E, GLY130F, GLY152E, GLY152F, GLY156E, GLY156F, GLY17E, GLY17F, GLY99E, GLY99F, HIS173E, HIS173F, HIS22E, HIS22F, HIS23E, HIS23F, ILE119E, ILE119F, ILE121E, ILE121F, ILE95E, ILE95F, LEU102E, LEU102F, LEU122E, LEU122F, LEU174E, LEU174F, LYS120E, LYS120F, LYS181E, LYS181F, PHE126E, PHE126F, PHE24E, PHE24F, PHE88E, PHE88F, PRO127E, PRO127F, PRO128E, PRO128F, SER180E, THR103E, THR103F, THR104E, THR104F, THR108E, THR108F, THR176E, THR176F, THR177E, THR177F, THR18E, THR18F, THR89E, THR89F, THR93E, THR93F, THR94E, THR94F, TRP90E, TRP90F, TYR101E, TYR101F, TYR148F, TYR178E, TYR178F, TYR96E, TYR96F, VAL153E, VAL153F, VAL19E, VAL19F
• E-G: ASN129E, ASN129G, ASN168E, ASN168G, ASP98E, ASP98G, GLU97E, GLU97G, GLY99E, GLY99G, TYR96E, TYR96G
• E-H: ALA161E, ALA161H, ALA219E, ALA219H, ARG147E, ARG147H, ARG150E, ARG150H, ARG175E, ARG175H, ARG198E, ARG198H, ARG220E, ARG220H, ASN168E, ASN168H, ASN232E, ASN232H, ASP151E, ASP151H, ASP196E, ASP196H, ASP98E, ASP98H, CYS143E, CYS143H, CYS144E, CYS144H, CYS155E, CYS155H, CYS164E, CYS164H, CYS172E, CYS172H, CYS222E, CYS222H, CYS225E, CYS225H, GLN138E, GLN138H, GLN157E, GLN157H, GLN213E, GLN213H, GLN223E, GLN223H, GLN39E, GLN39H, GLU141E, GLU141H, GLU145E, GLU145H, GLU200E, GLU200H, GLU212E, GLU212H, GLU215E, GLU215H, GLU36H, GLU97E, GLU97H, GLY139E, GLY139H, GLY152E, GLY152H, GLY156E, GLY156H, GLY167E, GLY167H, GLY230E, GLY230H, GLY37E, GLY37H, HIS169E, HIS169H, HIS173E, HIS173H, HIS193E, HIS193H, HIS197E, HIS197H, HIS214E, HIS214H, HIS231E, HIS231H, ILE201E, ILE201H, ILE95E, ILE95H, LEU159E, LEU159H, LEU162E, LEU162H, LEU170E, LEU170H, LEU174E, LEU174H, LEU229E, LEU229H, LYS163E, LYS163H, LYS203E, LYS203H, LYS228E, LYS228H, LYS71E, LYS71H, PHE192E, PHE192H, PHE194E, PHE194H, PRO131E, PRO131H, PRO142E, PRO142H, PRO190E, PRO190H, PRO191E, PRO191H, PRO199E, PRO199H, PRO226E, PRO226H, SER195E, SER195H, SER216E, SER216H, SER217E, SER217H, SER227E, SER227H, THR149E, THR149H, THR158E, THR158H, THR171E, THR171H, THR224E, THR224H, THR38E, THR38H, THR70E, THR70H, THR73E, THR73H, TRP140E, TRP140H, TYR148E, TYR148H, TYR221E, TYR221H, TYR96E, TYR96H, VAL202E, VAL202H, VAL218E, VAL218H
• F-G: ALA161F, ALA161G, ALA219F, ALA219G, ARG147F, ARG147G, ARG150F, ARG150G, ARG175F, ARG175G, ARG198F, ARG198G, ARG220F, ARG220G, ASN168F, ASN168G, ASN232F, ASN232G, ASP151F, ASP151G, ASP196F, ASP196G, ASP98F, ASP98G, CYS143F, CYS143G, CYS144F, CYS144G, CYS155F, CYS155G, CYS164F, CYS164G, CYS172F, CYS172G, CYS222F, CYS222G, CYS225F, CYS225G, GLN138F, GLN138G, GLN157F, GLN157G, GLN213F, GLN223F, GLN223G, GLN39F, GLN39G, GLU141F, GLU141G, GLU145F, GLU145G, GLU200F, GLU200G, GLU212F, GLU212G, GLU215F, GLU215G, GLU36F, GLU36G, GLU97F, GLU97G, GLY139F, GLY139G, GLY152F, GLY152G, GLY156F, GLY156G, GLY167F, GLY167G, GLY230F, GLY230G, GLY37F, GLY37G, HIS169F, HIS169G, HIS173F, HIS173G, HIS193F, HIS193G, HIS197F, HIS197G, HIS214F, HIS214G, HIS231F, HIS231G, ILE201F, ILE201G, ILE95F, ILE95G, LEU159F, LEU159G, LEU162F, LEU162G, LEU170F, LEU170G, LEU174F, LEU174G, LEU229F, LEU229G, LYS163F, LYS163G, LYS203F, LYS203G, LYS228F, LYS228G, LYS71F, LYS71G, PHE192F, PHE192G, PHE194F, PHE194G, PRO131G, PRO142F, PRO142G, PRO190F, PRO190G, PRO191F, PRO191G, PRO199F, PRO199G, PRO226F, PRO226G, SER195F, SER195G, SER216F, SER216G, SER217F, SER217G, SER227F, SER227G, THR149F, THR149G, THR158F, THR158G, THR171F, THR171G, THR224F, THR224G, THR38F, THR38G, THR70G, THR73F, THR73G, TRP140F, TRP140G, TYR148F, TYR148G, TYR221F, TYR221G, TYR96F, TYR96G, VAL202F, VAL202G, VAL218F, VAL218G
• F-H: ASP98F, ASP98H, GLU97F, GLU97H, GLY99F, GLY99H, TYR96F, TYR96H
• G-H: ALA100G, ALA100H, ARG150G, ARG150H, ARG175G, ARG175H, ARG179G, ARG179H, ARG92G, ARG92H, ASN125G, ASN125H, ASN129G, ASN129H, ASN20G, ASN20H, ASN21G, ASN21H, ASP151G, ASP151H, ASP98G, ASP98H, CYS124G, CYS124H, CYS155G, CYS155H, GLN105G, GLN105H, GLN106G, GLN106H, GLN157G, GLN157H, GLU107G, GLU107H, GLU16G, GLU16H, GLU91G, GLU91H, GLU97G, GLU97H, GLY123G, GLY123H, GLY130G, GLY130H, GLY152G, GLY152H, GLY156G, GLY156H, GLY17G, GLY17H, GLY99G, GLY99H, HIS173G, HIS173H, HIS22G, HIS22H, HIS23G, HIS23H, ILE119G, ILE119H, ILE121G, ILE121H, ILE95G, ILE95H, LEU102G, LEU102H, LEU122G, LEU122H, LEU174G, LEU174H, LYS120G, LYS120H, LYS181G, LYS181H, PHE126G, PHE126H, PHE24H, PHE88G, PHE88H, PRO127G, PRO127H, PRO128G, PRO128H, SER180G, SER180H, THR103G, THR103H, THR104G, THR104H, THR108G, THR108H, THR176G, THR176H, THR177G, THR177H, THR18G, THR18H, THR89G, THR89H, THR93G, THR93H, THR94G, THR94H, TRP90G, TRP90H, TYR101G, TYR101H, TYR148H, TYR178G, TYR178H, TYR96G, TYR96H, VAL153G, VAL153H, VAL19G, VAL19H