Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNKTIILGGFTEMKKAKLFGLGAVALAAGLFLGACGNNGSTDSSGGKSSSDTTTAALITDTGGVDDRSFNQSAWEGLEKWGKDQGLSRGNDGFQYFQSSNESDYIPNIDQALNAGFKTIFGIGYKLKPAIQEQATNNTGTNFVIIDDVIDGLDNVVSATFKDNEASYLAGVAAAYTTETNVVGFIGGVK-GEVIDRFDAGFKAGVDAGAKELGKEIKVLNQYAGDFSAPDKGRSIAQGMYAQNADIIFHASGGTGNGVFQEAKSLNESGDKKVWVIGVDRDQSDEGEYTLNGEKKNFTLTSTLKAVGTVVEDLAQKSADGKFPGGEHTVYGLKEDGVGLTE-GQLSDEAKKAVDEAKEKIISGDVKVPETPEEN 3S99 Chain:A ((123-313)) ---------------------------------------------------------------------------------------------------------------------------------------------------------DNMSAYNARFYEGRYVQGVIAAKMSKKGIAGYIGSVPVPEVVQGINSFM-----LGAQSVNPDFRVKVIWVNSWFDPGKEADAAKALIDQGVDIITQHTDSTA--------AIQVAHDRGIKAFG---QASDMIKFAPDTQ-----LTAVVDEWGPYYIDRAKAVLDGTW-KSQNIWWGMKEGLVKMAPFTNMPDDVKKLAEETEARIKSGEL---------

General information: TITO was launched using: RESULT: Template: 3S99.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 : 965 18757 19.44 99.24 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 19.44 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.401

(partial model without unconserved sides chains): PDB file : Tito_3S99.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3S99-query.scw PDB file : Tito_Scwrl_3S99.pdb: