DynDom - Protein Domain Motions

Polyprotein

(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	Polyprotein
Conformer 1 (PDB)	6qsn (A)
Conformer 2 (PDB)	6kr2 (A)
Window Length	7
Minimum ratio	1.0
Minimum domain size	20

Domains

Domain	Size	Backbone RMSD (A)	Residues
1	616	1.53	41 - 55 83 - 85 106 - 114 126 - 126 259 - 263 276 - 884
2	222	1.22	13 - 40 56 - 82 86 - 105 115 - 125 127 - 258 264 - 268

Sequence

`_________________________________40_____________55_________________________82_85_________________105______114________125` `6qsn(A) : KTLGEVWKRELNLLDKRQFELYKRTDIVEVDRDTARRHLAEGKVDTGVAVSRGTAKLRWFHERGYVKLEGRVIDLGCGRGGWCYYAAAQKEVSGVKGFTLGRDGHEKPMNVQSLGWNIIT` `:` `6kr2(A) : TLGEKWKNRLNALGKSEFQIYKKSGIQEVDRTLAKEGIKRGETDHH-AVSRGSAKLRWFVERNLVTPEGKVVDLGCGRGGWSYYCGGLKNVKEVKGLTKGGPGHEEPIPMSTYGWNLVR` `_________________________________41_____________55_________________________82_85_________________105______114________125` `________________________________________________________________________________________________________________________` `6qsn(A) : FKDKTDIHRLEPVKCDTLLCDIGESSSSSVTEGERTVRVLDTVEKWLACGVDNFCVKVLAPYMPDVLEKLELLQRRFGGTVIRNPLSRNSTHEMYYVSGARSNVTFTVNQTSRLLMRRMR` `:` `6kr2(A) : LQSGVDVFFTPPEKCDTLLCDIGESSPNPTVEAGRTLRVLNLVENWLNNNTQ-FCIKVLNPYMPSVIEKMEALQRKYGGALVRNPLSRNSTHEMYWVSNASGNIVSSVNMISRMLINRFT` `________________________________________________________________________________________________________________________` `__________258__263______________________________________________________________________________________________________` `6qsn(A) : RPTGKVTLEADVILPIGTRSVETDKGPLDKEAIEERVERIKSEYMTSWFYDNDNPYRTWHYCGSYVTKTSGSAASMVNGVIKILTYPWDRIEEVTRMAMTDTTPFGQQRVFKEKVDTRAK` `:` `6kr2(A) : MRHKKATYEPDVDLGSGTRNIGIESETPNLDIIGKRIEKIKQEHETSWHYDQDHPYKTWAYHGSYETKQTGSASSMVNGVVRLLTKPWDIIPMVTQMAMTDTTPFGQQRVFKEKVDTRTQ` `__________257__262______________________________________________________________________________________________________` `________________________________________________________________________________________________________________________` `6qsn(A) : DPPAGTRKIMKVVNRWLFRHLAREKNPRLCTKEEFIAKVRSHAAIeQWKTANEAVQDPKFWELVDEERKLHQQGRCRTCVYNMMGKREKKLSEFGKAKGSRAIWYMWLGARYLEFEALGF` `:` `6kr2(A) : EPKEGTKKLMKITAEWLWKELGKKKTPRMCTREEFTRKVRSN-----wKSAREAVEDSGFWELVDKERNLHLEGKCETCVYNMMGKREKKLGEFG-aKGSRAIWYMWLGARFLEFEALGF` `________________________________________________________________________________________________________________________` `________________________________________________________________________________________________________________________` `6qsn(A) : LNEDHWASRENSGGGVEGIGLQYLGYVIRDLAAMDGGGFYADDTAGWDTRITEADLDDEQEILNYMSPHHKKLAQAVMEMTYKNKVVKVLRPAPGGKAYMDVISRRDQRGSGQVVTYALN` `:` `6kr2(A) : LNEDHWFSRENSLSGVEGEGLHKLGYILRDVSKKEGGAMYADDTAGWDTRITLEDLKNEEMVTNHMEGEHKKLAEAIFKLTYQNKVVRVQRPTPRG-TVMDIISRRDQRG----vTYGLN` `________________________________________________________________________________________________________________________` `________________________________________________________________________________________________________________________` `6qsn(A) : TITNLKVQLIRMAEAEMVIHH-QHVQDCDESVLTRLEAWLTEHGCDRLKRMAVSGDDCVVRPIDDRFGLALSHLNAMSKVRKDISEWQPSKGWNDWENVPFCSHHFHELQLKDGRRIVVP` `:` `6kr2(A) : TFTNMEAQLIRQMEGEGVFKSIQHLTVTEEIAV---KNWLVRVGRERLSRMAISGDDCVVKPLDDRFASALTALNDMGKVRKDIQQWEPSRGWNDWTQVPFCSHHFHELIMKDGRVLVVP` `________________________________________________________________________________________________________________________` `________________________________________________________________________________________________________________________` `6qsn(A) : CREQDELIGRGRVSPGNGWMIKETACLSKAYANMWSLMYFHKRDMRLLSLAVSSAVPTSWVPQGRTTWSIHGKGEWMTTEDMLEVWNRVWITNNPHMQDKTMVKKWRDVPYLTKRQDKLC` `:` `6kr2(A) : CRNQDELIGRARISQs----LRETACLGKSYAQMWSLMYFHRRDLRLAANAICSAVPSHWVPTSRTTWSIHATHEWMTTEDMLTVWNRVWIQENPWMEDKTPVESWEEIPYLGKREDQWC` `________________________________________________________________________________________________________________________` `___________________________________________` `6qsn(A) : GSLIGMTNRATWASHIHLVIHRIRTLIGQEKYTDYLTVMDRYS` `:` `6kr2(A) : GSLIGLTSRATWAKNIQTAINQVRSLIGNEEYTDYMPS****` `___________________________________________`

Morph

This morph was created using the MorphIt_Pro protein morphing technique.
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Domain Pairs

Property	Value
Fixed Domain ( blue )	1
Moving Domain ( red )	2
Rotation Angle (deg)	9.2
Translation (A)	0.4
Closure (%)	98.1
Bending Residues ( green )	40 - 41 55 - 56 82 - 83 85 - 86 105 - 106 114 - 115 125 - 127 258 - 259 263 - 276
Bending Region Analysis

Dynamic Contact Graph

Conformer 1 Contact:
Residue 1 ———› Residue 2

Conformer 2 Contact:
Residue 2 ———› Residue 1

Movement classification: Shear

PyMOL Script

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