Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQPFVLYNSEQRKKVEFVPRKEGHIDMYVCGMTVYDYCHIGHARVMVAFDYIIRFLRSQGWKVRYIRNITDI---DDKIIKRANENGETIQQLTMRFIDAMNEDAANLGCLAPDEAPKATEYIDQMQNMIGNLVNKGAAYPASNGDVYFEVTKFEKYGRLSGRKLDDMQAGASERVDVEVEKKHPFDFVLW---KHAKENEPSWASPWGNGRPGWHIECSAMSTCCLGNHFDIHGGGSDLMFPHHENEIAQSEASTGEQYVNYWIHVGFINVDGEKMSKSLGNFFTIRDVMEK-FHPEVIRYFIVSSHYRSPVNFSDVALKEAKTS-------LTRFYHSFKAYQ--------QVYGQTTTETLDQSFVERFNNAMCDDFNTAEAMAVLFELNKELNRAVKEEQADQATVLYSTLRHLTNILGLVQHNVDDFLKSDIGQEAL-------ALSDAEIEDFIQQRVDAKKAKDFAKADSIRQSLLEQGVVLEDTRQGTVWRRAD 3SP1 Chain:A ((26-490)) -----LYNTRTKDFSELTNFE--NVKVYACGPTVYNYAHIGNFRTYIFGDLLIKTLRFLGYKVNYAMNITDIGHL------------LTVYEISEFFTEAFFNDCRKLNIVYPDKVLVASKHIPIMIEVVKILEEKKITY-FSNGNVYFDTSCFKSYGEMAG------------------FKRNKTDFVLWFTNSK-----MKWDSPWGFGYPSWHLECAAMNLEYFKDALDIHLGGVDHIGVHHINEIAIAECFLNKKWCDVFVHGEFLIMD----------FITVKDLEDQNFSPLDFRYLCLTSHYRNQLKFSLDNLQASKIARENLINKLSYFYESLDPVDLNTLNKDLKNFGFSVEKEYYDSFVEK----ISFDLNVAQGLALLWEIIKSDNLS-----------FVSKLR-----LAFI---FDEIMSLNLREEILKNLQNHDVVIDENMKALIEERRIAKCEKNFKRADEIRDFFAKKGFVLV------------

General information: TITO was launched using: RESULT: Template: 3SP1.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 : 1897 -69047 -36.40 -179.34 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -36.40 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.469

(partial model without unconserved sides chains): PDB file : Tito_3SP1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3SP1-query.scw PDB file : Tito_Scwrl_3SP1.pdb: