Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSETYYEAINWNEIEDIIDKSTWEKLTEQFWLDTRIPLSNDLDDWRTLSQLEKDTVGHVFGGLTLLDTVQSESGMDQLRKDVRTPHEEAVLNNIQFMESVHAKSYSSIFSTLNTKKEIEEIFDWTNTNPYLQKKAERINEIYKHGTPLEKKIASVFLETFLFYSGFYTPLYYLGNNKLANVAEIIKLIIRDESVHGTYIGYKFQLGFNELPEAEQETLKDWMYNLLYELYENEERYTEELYDPIGWTEEVKTFLRYNANKALMNLGMDPLFPDTANDVNPIVMNGISTGTSNHDFFSQVGNGYLLGHVEAMKDDDYLIGLE 3MJO Chain:A ((16-296)) ------KAINWNVIPDEKDLEVWDRLTGNFWLPEKIPVSNDIQSWNKMTPQEQLATMRVFTGLTLLDTIQGTVGAISLLPDAETMHEEAVYTNIAFMESVHAKSYSNIFMTLASTPQINEAFRWSEENENLQRKAKIIMSYYNGDDPLKKKVASTLLESFLFYSGFYLPMYLSSRAKLTNTADIIRLIIRDESVHGYYIGYKYQQGVKKLSEAEQEEYKAYTFDLMYDLYENEIEYTEDIYDDLGWTEDVKRFLRYNANKALNNLGYEGLFPTDETKVSPAILSSLS----------------------------------

General information: TITO was launched using: RESULT: Template: 3MJO.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 : 1355 -114366 -84.40 -406.99 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -84.40 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.474

(partial model without unconserved sides chains): PDB file : Tito_3MJO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3MJO-query.scw PDB file : Tito_Scwrl_3MJO.pdb: