DynDom - Protein Domain Motions

Thioester Reductase Domain-Containing Protein

(All numbering and residues are taken from first PDB file)

Run Details Domains Sequence Morph Domain Pairs Contact Graph

DynDom run details

Property	Value
Name	Thioester Reductase Domain-Containing Protein
Conformer 1 (PDB)	5mss (A)
Conformer 2 (PDB)	5msw (A)
Window Length	5
Minimum ratio	1.0
Minimum domain size	20

Domains

Domain	Size	Backbone RMSD (A)	Residues
1	185	5.99	525 - 677 693 - 701 705 - 717 721 - 727 732 - 734 736 - 737
2	495	0.59	19 - 524
3	25	0.81	678 - 692 702 - 704 718 - 720 728 - 731 735 - 735 738 - 740

Sequence

`________________________________________________________________________________________________________________________` `5mss(A) : QSLAERVARLVAIDPQAAAAVPDKAVAERATQQGLRLAQRIEAFLSGYGDRPALAQRAFEITKDPITGRAVATLLPKFETVSYRELLERSHAIASELANHAEAPVKAGEFIATIGFTSTD` `:` `5msw(A) : QSLAERVARLVAIDPQAAAAVPDKAVAERATQQGLRLAQRIEAFLSGYGDRPALAQRAFEITKDP-tGRAVATLLPKFETVSYRELLERSHAIASELANHAEAPVKAGEFIATIGFTSTD` `________________________________________________________________________________________________________________________` `________________________________________________________________________________________________________________________` `5mss(A) : YTSLDIAGVLLGLTSVPLQTGATTDTLKAIAEETAPAVFGASVEHLDNAVTTALATPSVRRLLVFDYRQGVDEDREAVEAARSRLAEAGSAVLVDTLDEVIARGRALPRVALPPATDAGD` `:` `5msw(A) : YTSLDIAGVLLGLTSVPLQTGATTDTLKAIAEETAPAVFGASVEHLDNAVTTALATPSVRRLLVFDYRQGVDEDREAVEAARSRLAEAGSAVLVDTLDEVIARGRALPRVALPPATDAGD` `________________________________________________________________________________________________________________________` `________________________________________________________________________________________________________________________` `5mss(A) : DSLSLLIYTSGSTGTPKGAMYPERNVAQFWGGIWHNAFDpDVPDIMVNFMPLSHVAGRIGLMGTLSSGGTTYFIAKSDLSTFFEDYSLARPTKLFFVPRICEMIYQHYQSELDRIGAADG` `:` `5msw(A) : DSLSLLIYTS----tPKGAMYPERNVAQFWGGIWHNAF-pDVPDIMVNFMPLSHVAGRIGLMGTLSSGGTTYFIAKSDLSTFFEDYSLARPTKLFFVPRICEMIYQHYQSELDRIGAADG` `________________________________________________________________________________________________________________________` `________________________________________________________________________________________________________________________` `5mss(A) : SPQAEAIKTELREKLLGGRVLTAGSGSAPMSPELTAFIESVLQVHLVDGYGSTEAGPVWRDRKLVKPPVTEHKLIDVPELGYFSTDSPYPRGELAIKTQTILPGYYKRPETTAEVFDEDG` `:` `5msw(A) : SPQAEAIKTELREKLLGGRVLTAGSGSAPMSPELTAFIESVLQVHLVDGYGSTEAGPVWRDRKLVKPPVTEHKLIDVPELGYFSTDSPYPRGELAIKTQTILPGYYKRPETTAEVFDEDG` `________________________________________________________________________________________________________________________` `_______________519______________________________________________________________________________________________________` `5mss(A) : FYLTGDVVAEVAPEEFVYVDRRKNVLKLSQGEFVALSKLEAAYGTSPLVRQISVYGSSQRSYLLAVVVPTPEALAKYGDGEAVKSALGDSLQKIAREEGLQSYEVPRDFIIETDPFTIEN` `:` `5msw(A) : FYLTGDVVAEVAPEEFVYVDRRKNVLKLSQGEFVALSKLEAAYGTSPLVRQISVYGSSQRSYLLAVVVPTPEALAKYGDGEAVKSALGDSLQKIAREEGLQSYEVPRDFIIETDPFTIEN` `_______________519______________________________________________________________________________________________________` `_____________________________________________________677____________692______701_____________717_______727_731__________` `5mss(A) : GILSDAGKTLRPKVKARYGERLEALYAQLAETQAGELRSIRVG--ERPVIETVQRAAAALLGA----vDPEAHFSDLGGDSLSALTYSNFLHEIFQVEVPVSVIVSAANNLRSVAAHIEK` `:` `5msw(A) : GILSDAGKTLRPKVKARYGERLEALYAQLAETQAGELRSIRVGAGERPVIETVQRAAAALLGASAAEVDPEAHFSDLGGDSLSALTYSNFLHEIFQVEVPVSVIVSAANNLRSVAAHIEK` `_____________________________________________________677____________692______701_____________717_______727_731__________` `___` `5mss(A) : ERS` `:` `5msw(A) : E**` `___`

Morph

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Status: Initialising

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Domain Pairs

Property	Value
Fixed Domain ( blue )	1
Moving Domain ( red )	2
Rotation Angle (deg)	155.2
Translation (A)	2.5
Closure (%)	44.5
Bending Residues ( green )	519 - 525
Bending Region Analysis

Property	Value
Fixed Domain ( blue )	1
Moving Domain ( yellow )	3
Rotation Angle (deg)	34.4
Translation (A)	-0.5
Closure (%)	96.6
Bending Residues ( green )	677 - 678 692 - 693 701 - 705 717 - 718 720 - 721 727 - 728 731 - 732 734 - 738
Bending Region Analysis

Dynamic Contact Graph

The dynamic contact graph is still being generated. Progress: Initialising

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