Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLETKDLNLFLGNKHVLKNISLSIPVRGEIIGIMGPNGAGKSSLIKSLIGEFN-ATGTKLLYNKPIQ-------QQLQHITYIPQKAHIDLDFPISVEQVILSGCYKEIGWFRRPNKSARDKLKQLLSDLELESLRHRQISELSGGQLQRVLVARALMSESEVYFLDEPFVGIDFSSEKLIMTKIENLK-QQGKLILIIHHDLSKAKQYFDRIILL-NQTLRYFGDSEEAMSVTRLNETFMSSTDCSDPSQRSNITC
3FVQ Chain:A ((4-236))
ALHIGHLSKSFQNTPVLNDISLSLD-PGEILFIIGASGCGKTTLLRCLAGFEQPDSGEISLSGKTIFSKNTNLPVRERRLGYLVQEGVL--FPHLTVYRNIAYGLGNGK----GRTAQERQRIEAMLELTGISELAGRYPHELSGGQQQRAALARALAPDPELILLDEPFSALDEQLRRQIREDMIAALRANGKSAVFVSHDREEALQYADRIAVMKQGRILQTASPHELYRQPA----------------------
General information:
TITO was launched using:
RESULT:
Template:
3FVQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -140887 for 1734 contacts (-81.2/contact) +
2D Compatibility (PS) -23641 + (NN) -6863 + (LL) 1228
1D Compatibility (HY) -7200 + (ID) 3200
Total energy: -180563.0 ( -104.13 by residue)
QMean score : 0.549
(partial model without unconserved sides chains):
PDB file :
Tito_3FVQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3FVQ-query.scw
PDB file :
Tito_Scwrl_3FVQ.pdb
: