Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYSTHRSKTICSKMARAFPGYSVMFFMHKKTLVLLLSTFCASTYIHAKTDCYPSSPPVVKQLDQVYYGMNNLRIFYTTSSDNALTFQQDKNLNHIPDYVENIAIQANSIRKAWSVLGYQDPLNSPRYKNDVKYIDIQIQKLNGLGLAYDEPHRHINNPLKKNACALIILISNNIPNLTTNSSLIAHELFHLYTYGYTMFKQPWLTESLAAWSEGIIRKDKLGIYGQRNLPENEEDFEKYVLQRTYRTSQLWNRLTTLIDRSDGKLFLPLSLMQQKYTDGQPVFQDKYLKGTLFIRKFLENLGRQDQKISVLNNWNLYHWNEIDQNSAHFNEQILDTLLITLESTVERNIEKNKFKNLLKKIVKNKKTN 3FFG Chain:A ((191-218)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TRFKDTYFVTGIVSWGEGCARKGKYGIY------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3FFG.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 : 34 -2551 -75.01 -91.09 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : -75.01 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.416

(partial model without unconserved sides chains): PDB file : Tito_3FFG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3FFG-query.scw PDB file : Tito_Scwrl_3FFG.pdb: