Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MISLSDLRKFKAEGRKFSCLTCYDASMAKAMELAEIDTILIGDSLGMAIQGRDSTLPVTVEDMAYHTAAVRRGNQHALIMTDLPFMSYATLKDALQNAKTVMQAGAQMIKIEGGAWLSETVQVLTRNGVPVCVHLGLTPQSVHVFGGYKLQARTREAADQLIADCTAVVEAGAAVLLLECVPAQLGQEIAELFPNTPVIGIGAGNATDGQVLVVQDMLGLTFGRVARFVRNFMKEQSGETAILDAFKAFHAAVQDQSFPAKEHTFQVEL 3VAV Chain:C ((16-275)) -VTVPKLQAMREAGEKIAMLTCYDASFAALLDRANVDVQLIGDSLGNVLQGQTTTLPVTLDDIAYHTACVARAQPRALIVADLPFGTYGTPADAFASAVKLMRAGAQMVKFEGGEWLAETVRFLVERAVPVCAHVG--------------------GAAQLLRDARAVEEAGAQLIVLEAVPTLVAAEVTREL-SIPTIGIGAGAECSGQVLVLHDMLGVFPGKRPRFVKDFMQ---GQPSIFAAVEAYVRAVKDGSFPGPEHSF----

General information: TITO was launched using: RESULT: Template: 3VAV.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1411 -215418 -152.67 -897.57 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain C : 0.85 3D Compatibility (PKB) : -152.67 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.618

(partial model without unconserved sides chains): PDB file : Tito_3VAV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VAV-query.scw PDB file : Tito_Scwrl_3VAV.pdb: