Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequence-----------------------------------------------------------------------------------------------------------------MTKKNNAPELHKYRGLTSTEQMVIHQML--ISYVREENCRFNIIMTGTAEPYNLVKLTSINFENEASAIWVHFETITGEQIALP-IDFLSRIEFSGQQEI-------------------------------------------------------------------------------------------------------------------------------------------------
3RFY Chain:A ((78-433))GGILLVANPVIPDVSVLISGPPIKDPEALLRYALPIDNKAIREVQKPLEDITDSLKIAGVKALDSVERNVRQASRTLQQGKSIIVAGFAESKKDHGNEMIEKLEAGMQDMLKIVEDRKRDAVAPKQKEILKYVGGIEEDMVDGFPYEVPEEYRNMPLLKGRASVDMKVKIKD-NPNIEDCVFRIVLDGYNAPVTAGNFVDLVERHFYDG-MEIQRSDGFVVQTGDPEGPAEGFIDPSTEKTRTVPLEIMVTGEKTPFYGSTLEELGLYKAQVVIPFNAFGTMAMAREEFENDSGSSQVFWLLKESELTPSNSNILDGRYAVFGYVTDNEDFLADLKVGDVIESIQVVSGLENLANPSY


General information:
TITO was launched using:
RESULT:

Template: 3RFY.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 209 4221 20.20 44.43
target 2D structure prediction score : 0.55
Monomeric hydrophicity matching model chain A : 0.54

3D Compatibility (PKB) : 20.20
2D Compatibility (Sec. Struct. Predict.) : 0.55
1D Compatibility (Hydrophobicity) : 0.54
QMean score : 0.178

(partial model without unconserved sides chains):
PDB file : Tito_3RFY.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3RFY-query.scw
PDB file : Tito_Scwrl_3RFY.pdb: