Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYSTHRSKTICSKMARAFPGYSVMFFMHKKTLVLLLSTFCASTYIHAKTDCYPSSPPVVKQLDQVYYGMNNLRIFYTTSSDNALTFQQDKNLNHIPDYVENIAIQANSIRKAWSVLGYQDPLNSPRYKNDVKYIDIQIQKLNGLGLAYDEPHRHINNPLKKNACALIILISNNIPNLTTNSSLIAHELFHLYTYGYTMFKQPWLTESLAAWSEGIIRKDKLGIYGQRNLPENEEDFEKYVLQRTYRTSQLWNRLTTLIDRSDGKLFLPLSLMQQKYTDGQPVFQDKYLKGTLFIRKFLENLGRQDQKISVLNNWNLYHWNEIDQNSAHFNEQILDTLLITLESTVERNIEKNKFKNLLKKIVKNKKTN 2BQ7 Chain:B ((206-233)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TRFKDTYFVTGIVSWGEGCARKGKYGIY------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2BQ7.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 34 -2185 -64.26 -78.04 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain B : 0.54 3D Compatibility (PKB) : -64.26 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.378

(partial model without unconserved sides chains): PDB file : Tito_2BQ7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BQ7-query.scw PDB file : Tito_Scwrl_2BQ7.pdb: