Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQMNRYDQAATLRAKMEKRERVLPMVYSQKAKTLAVISGKGGVGKSNITLNMALALQDKGKKVLLIDLDIGMGNIDILIGNSSSATIIDVLTDRK-----PLLQSLSVGPKGLRYI-SGG--TGLDVMFQLDQRKWTFFANELSHALSQFDYVLFDMGAGLSKD-QLPFILS-AEDILIITTPEPTAIMDAYSAVKHLVLTENKLSMK----VAVNRCRDQKEGLDAFARLSRTIHMFLDVQVQFAGSVSDDVIVSKAVVEQVPFFIKSPQAKASRSVRILADALFEREETRHKEDKQTFIEKLSSFLMRRA 2C8V Chain:A ((5-243)) ----------------------------------CAIYGKGGIGKSTTTQNLVAALAEMGKKVMIVGCDPKADSTRLILHSKAQNTIMEMAAEAGTVEDLELEDVLKAGYGGVKCVESGGPEPGVGCAGRGVITAINFLEEEGAYE-DDLDFVFYDVGDVVCGGFAMPIRENKAQEIYIVCSGEMMAMYAANNISKGIVKYANSGSVRLGGLICNSRNTDREDEL--------IIALANKLGTQMIHFVPRDNVVQRAEIRRMTVIEYDPKAKQADEYRALA------------------------------

General information: TITO was launched using: RESULT: Template: 2C8V.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 : 1218 -144632 -118.75 -642.81 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -118.75 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.355

(partial model without unconserved sides chains): PDB file : Tito_2C8V.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2C8V-query.scw PDB file : Tito_Scwrl_2C8V.pdb: