Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKLWLKIGLSFFILFFVVMVIVGIFSGELMKSTYLNMKENQLEDDAKILLQTTNMENLDLDKDAATIQKSLDPLGEDIDARITVIDSKGDVVADTKKDPEKLDNHMNRPEVTDILKKGESVGISIRESDSLGYSMLYVAVPVKHQSKTDGVLRISISLESVDAAVAKLWGNLALIFGIALVIIAAISVFIARKITRPVREIIEVSTDLANHKYDSRIHGKISGELQDLSISVNTLAESLETQMFEIKQNEQRLNAIVQNLVSGVMLINVDKQVIMTNRTMYQILGETEITGKPFYEVIKSFALSQLIEATFETKTIQQKEIILYFPREMILDASVSPILGENGEITGIILLLHDITQIRHLENVRSEFVTNVSHELKTPVTALKGFAETLLDGAMYDEMLLKKFLTIIKEESDRLHRLIMDILALSRIEQNPVPENVELVEVDEVIEQSARTIFEMATEKNIQVI--IPEKTIPSVTIETDRDKLQQILINLLSNAINYTPVDGKV--EVKLIEQEAEVIIEVTDNGIGIPAKDIDRVFERFYRVDKARSRHSGGTGLGLSIVKHLVENCGGRIEVESQEEVGSTFRVTLPKKA |
3SL2 Chain:A ((16-152)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------FEMTKEQ--EFIRNLPDR---DLYVEIDQDKITQVLDNIISNALKYSPEGGHVTFSIDVNEEEELLYISVKDEGIGIPKKDVEKVFDRFYRVD------LGGTGLGLAIAKEMVQAHGGDIWADSIEGKGTTITFTLPYK- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3SL2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -50136 for 842 contacts (-59.5/contact) +
2D Compatibility (PS) -13287 + (NN) -3813 + (LL) 39068
1D Compatibility (HY) -12400 + (ID) 3050
Total energy: -43618.0 ( -51.80 by residue)
QMean score : 0.489
|
|
|