Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGSTQLTGRVIF-KGDPGYT----EAIKN--WNPYVDVYPLVFVFAQNSYDVSNAIKWARENKVPLRVRSGRHALDKNLSVVS----GGIVIDVSDMNKVFLDEENAIATVQTGIPVGPLVKGL--ARDGFMAPFGDSPTVGIGGITMGGGFGVLSRSIGLISDNLLALKTVDAKGRIIHADQSHNEDLLWASRGGGGGNFGYNTQYTFKVHRAPKTATVFNIIWPW-EQLETVFKAWQKWAPFVDERLGCYLEIYSKING-LCHAEGIFLGSKTELIRLLKPLLHAGTP----TEADIKTLYYPDAIDFLD------PDEPIPGRNDQSVKFSSAWGHDFWSDEPISIMRKFLED--ATGTEANFFFINWGGAISRVPKDETAFFWRH-PLFYTEWTASWKNKSQEDSNLASVERVRQLMQPYVAG----SYVNVPDQNI---------------ENFGKEYYGANFARLREIKAKYDPENVFRFPQSIPPSR 4PVE Chain:A ((18-495)) ----EIPPRLLYAKSSPAYPSVLGQTIRNSRWSSPDNVKPLYIITPTQVSHIQSAVVCGRRHTVRIRVRSGGHDYE-GLSYRSLQPETFAVVDLNKMRAVWVDGKARTAWVDSGAQLGELYYAIYKASPTLAFPAGVCPTIGVGGNFAGGGFGMLLRKYGIAAENVIDVKLVDANGK-LHDKKSMGDDHFWAVRGGGGESFGIVVAWQVKLLPVPPTVTIFKISKTVSEGAVDIINKWQVVAP----QLPADLMIRIIAQGPKATFEAMYLGT----CKTLTPLMSSKFPELGMNPSHCNEMSWIQSIPFVHLGHRDALEDDLLNRQNSFKPFAEYKSDYVYQPFPKTVWEQILNTWLVKPGAGIMIFDPYGATISATPESATPFPHRKGVLFNIQYVNYWFAPGAAAAPLSWSKDIYNYMEPYVSKNPRQAYANYRDIDLGRNEVVNDVSTYASGKVWGQKYFKGNFERLAITKGKVDPTDYFRNEQSIPP--

General information: TITO was launched using: RESULT: Template: 4PVE.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 : 2532 -12385 -4.89 -28.73 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -4.89 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.525

(partial model without unconserved sides chains): PDB file : Tito_4PVE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PVE-query.scw PDB file : Tito_Scwrl_4PVE.pdb: