Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKFLPVILSLALITNASYANPFDPKPASGQVEIPNIGSGIGLLDQQKEKFIGEKVFREVHKQMPVIQDVWLEDQFFQVFSNILSETQLGQPIALVVIKDPQINAFAVPGGLFALNTGLISSARNIDEIAGVMAHEIAHVSQRHFSRSEEAFKGQTLLSLAGLLAGVALAAQAGGDAGAAVMLGTQAALLDKQLTYSRNQEREADRIGMQYMYAAGYNPQSMADYFETMHRATSRVSFLPDFWLTHPLTSERMSEARLRANQMPKVKSRIYDVDFEILKWYTMVVAGEATENQLQSLASQKNLAGLLALSAFYLKQGDYTQAQATLEQA--KSSGKPLVALIQTDIYLGQNKINQAYNSIAPLQMTMPENKAFSYKLAEVLLRQ-----------GKYAQVQTLVQRFINKNARDIQGWQLLQQAANLDKNSPLRAVNVLRYR----------------AEAQYWSGSEEDAIKSMLHAQRLAKGNQA---MSARIDSRLKQMQDERRMKI 2PL2 Chain:B ((28-221)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AEQNPLRLGVQLYALGRYDAALTLFERALKENPQDPEALYWLARTQLKLGLVNPALENGKTLVARTPRYLGGYMVLSEAYVALYRQAEDRERGKGYLEQALSVLKDAERVNPRYAPLHLQRGLVYALLGER----DKAEASLKQALALEDTPEIRSALAELYLSMGRLDEALAQYAKALEQAPKDLDLRVRYASALLL------------

General information: TITO was launched using: RESULT: Template: 2PL2.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 698 15626 22.39 96.45 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.54 3D Compatibility (PKB) : 22.39 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.552

(partial model without unconserved sides chains): PDB file : Tito_2PL2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PL2-query.scw PDB file : Tito_Scwrl_2PL2.pdb: