Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MCYSFSNSKAKGDVMKRTRVLYLEVADKIKEDIFSGKYPVGSMLPTESELEELFQVSKITVRKAIELLASDEYVAKKSGRGTTVLSNRPYNRLSKAASFTQILENSRYEVRKETLDLQLVHIKKEDPLFSFFGEQAVCFK--RLYYLNNQPYIYFVHYLPQEMMQFSREEFGKESLYRLLTK-KGYTIDSFSDDFSAVFLTEEEQGILKTDAQIGIKRIRKSS-TQIGEMIEYSEAVYHTELHPYHIDYET 4U0W Chain:A ((14-231)) --------------------IYYQIMEQLKTQIKNGELQPDMPLPSEREYAEQFGISRMTVRQALSNLVNEGLLYRLKGRGTFVSKPKMEQALQGLTSFTEDMKSRGMTPGSRLIDYQLIDSTEELAAILGCGHPSSIHKITRVRLANDIPMAIESSHIPFELAGELNESHFQSSIYDHIERYNSIPISRAKQELEPSAATTEEANILGIQKGAPVLLIKRTTYLQNGTAFEHAKSVY-------------

General information: TITO was launched using: RESULT: Template: 4U0W.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 : 865 -20282 -23.45 -94.77 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -23.45 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.401

(partial model without unconserved sides chains): PDB file : Tito_4U0W.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4U0W-query.scw PDB file : Tito_Scwrl_4U0W.pdb: