Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAIVVTITSGKGGVGKSTTTANLAIGLAESGKKVVAVDFDIGLRNLDMILGLENRIVYDVVDVMEKNCNLSQALITDKKTKNLSFLAASQSKDKNILDKEKVAILINALRA-DFDYILIDSPAGIESGFEHAILHADMALVVVTPEVSSLRDSDRVIGIIDAKSNRAKSGEE-VHKHLIINRLKPELVANGEMISIEEVLKILCLPLIGIIPEDHHIISATNKGEPVI-RTDCESAKAYQRITRRILGEEVEYVEFKAKRGFFSALKGIFS
3R9I Chain:D ((2-253))
-ARIIVVTSGKGGVGKTTSSAAIATGLAQKGKKTVVIDFAIGLRNLDLIMGCERRVVYDFVNVIQGDATLNQALIKDKRTENLYILPASQTRDKDALTREGVAKVLDDLKAMDFEFIVCDSPAGIETGALMALYFADEAIITTNPEVSSVRDSDRILGILASKSRRAENGEEPIKEHLLLTRYNPGRVSRGDMLSMEDVLEILRIKLVGVIPEDQSVLRASNQGEPVILDINADAGKAYADTVERLLGEERPFRFIEE-------------
General information:
TITO was launched using:
RESULT:
Template:
3R9I.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -177907 for 2172 contacts (-81.9/contact) +
2D Compatibility (PS) -26414 + (NN) -6363 + (LL) 1392
1D Compatibility (HY) -24400 + (ID) 6400
Total energy: -240092.0 ( -110.54 by residue)
QMean score : 0.625
(partial model without unconserved sides chains):
PDB file :
Tito_3R9I.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3R9I-query.scw
PDB file :
Tito_Scwrl_3R9I.pdb
: