Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKQEWFESNDFVKTTSKNKPEEQAQEVADKAEETIADLDTPIEKNTQLEEEVSQAEVELESQQEEKIETPEDSEARTKIEEKKASNSTEEEPDLSKETEKVTIAEESQEALPQQKATTKEPLLISKSLESPYIPDQAPKSRDKWKEQVLDFWSWLVEAIKSPTSKLETSITHSYTAFLLLILFSASSFFFSIYHIKHAYYGHIASINSRFPEQLAPLTLFSIVSILVATTLFFFSFLLGSFVVRRFIHQEKDWTLDKVLQQYSQLLAIPIFLTAIASFFAFFDSLRFTALLCVISIGIILLASLHIITRPSQASETDSFYQLFLSVLVNGVIILLFFVAEVALIGDYLRILAFL 3HAI Chain:A ((178-301)) ------------KTEQSVTPEQQ-KKLQDKVDKCKQDVQKTQEKYEKVLEDVGKTTPQYMENMEQVFEQCQQFEEKRLVFLKEVLLDIKRHLNLAENSSYIHVYRELEQAI--RGADAQEDLRWFRSTSGPGMPMNWPQ-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3HAI.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 : 49 3494 71.31 28.18 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.50 3D Compatibility (PKB) : 71.31 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.50 QMean score : 0.586

(partial model without unconserved sides chains): PDB file : Tito_3HAI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HAI-query.scw PDB file : Tito_Scwrl_3HAI.pdb: