Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKALLALFMVVSIAALAACGAGNDNQSKDNAKDGDLWASIKKKGVLTVGTEGTYEPFTYHDKDTDKLTGYDVEVITEVAKRLGLKVDFKETQWDSMFAGLNSKRFDVVANQVGKTD-REDKYDFSDKYTTSRAVVVTKKDNNDIKSEADVKGKTSAQSLTSNYNKLATNAGAKVEGVEGM------AQALQMIQQGRVDMTYNDKLAVLNYLKTSGNKNVKIAFETGEPQSTYFTFRKGSGEVVDQVNKALKEMKEDGTLSKISKKWFGEDVSK 3VV5 Chain:A ((32-257)) ----------------------------------------IKRSGEIRIGTEGAFPPFNYFD-ERNQLTGFEVDLGNAIAERLGLKPRWIAQSFDTLLIQLNQGRFDFVIASHGITEERARAVDFTNPHYCTGGVIVSRKGGP--RTAKDLQGKVVGVQVGTTY----MEAAQKIPGIKEVRTYQRDPDALQDLLAGRIDTWITDRFVAKEAIKERKLENTLQVGELVFQERVAMAVAKGNKSLLDALNRALAELMQDGTYARISQKWFGEDV--

General information: TITO was launched using: RESULT: Template: 3VV5.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 : 1167 -85869 -73.58 -392.09 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -73.58 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.443

(partial model without unconserved sides chains): PDB file : Tito_3VV5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VV5-query.scw PDB file : Tito_Scwrl_3VV5.pdb: