Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSETYYEAINWNEIEDIIDKSTWEKLTEQFWLDTRIPLSNDLDDWRTLSQLEKDTVGHVFGGLTLLDTVQSESGMDQLRKDVRTPHEEAVLNNIQFMESVHAKSYSSIFSTLNTKKEIEEIFDWTNTNPYLQKKAERINEIYKHGTPLEKKIASVFLETFLFYSGFYTPLYYLGNNKLANVAEIIKLIIRDESVHGTYIGYKFQLGFNELPEAEQETLKDWMYNLLYELYENEERYTEELYDPIGWTEEVKTFLRYNANKALMNLGMDPLFPDTANDVNPIVMNGISTGTSNHDFFSQVGNGYLLGHVEAMKDDDYLIGLE 2BQ1 Chain:I ((6-317)) -----ISAINWNKIQDDKDLEVWNRLTSNFWLPEKVPLSNDIPAWQTLSAAEQQLTIRVFTGLTLLDTIQNIAGAPSLMADAITPHEEAVLSNISFMEAVHARSYSSIFSTLCQTKEVDAAYAWSEENPPLQRKAQIILAHYVSDEPLKKKIASVFLESFLFYSGFWLPMYFSSRGKLTNTADLIRLIIRDEAVHGYYIGYKYQIALQKLSAIEREELKLFALDLLMELYDNEIRYTEALYAETGWVNDVKAFLCYNANKALMNLGYEALFPPEMADVNPAILAALSP-------------------TVETEDEDW-----

General information: TITO was launched using: RESULT: Template: 2BQ1.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain I - contact count / total energy / energy per contact / energy per residue : 1325 -128032 -96.63 -438.46 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain I : 0.82 3D Compatibility (PKB) : -96.63 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.467

(partial model without unconserved sides chains): PDB file : Tito_2BQ1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BQ1-query.scw PDB file : Tito_Scwrl_2BQ1.pdb: