Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYSTHRSKTICSKMARAFPGYSVMFFMHKKTLVLLLSTFCASTYIHAKTDCYPSSPPVVKQLDQVYYGMNNLRIFYTTSSDNALTFQQDKNLNHIPDYVENIAIQANSIRKAWSVLGYQDPLNSPRYKNDVKYIDIQIQKLNGLGLAYDEPHRHINNPLKKNACALIILISNNIPNLTTNSSLIAHELFHLYTYGYTMFKQPWLTESLAAWSEGIIRKDKLGIYGQRNLPENEEDFEKYVLQRTYRTSQLWNRLTTLIDRSDGKLFLPLSLMQQKYTDGQPVFQDKYLKGTLFIRKFLENLGRQDQKISVLNNWNLYHWNEIDQNSAHFNEQILDTLLITLESTVERNIEKNKFKNLLKKIVKNKKTN 4BTT Chain:F ((191-218)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TRFKDTYFVTGIVSWGEGCARKGKYGIY------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4BTT.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain F - contact count / total energy / energy per contact / energy per residue : 32 -1648 -51.50 -58.86 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain F : 0.54 3D Compatibility (PKB) : -51.50 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.396

(partial model without unconserved sides chains): PDB file : Tito_4BTT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BTT-query.scw PDB file : Tito_Scwrl_4BTT.pdb: