Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSETYYEAINWNEIEDIIDKSTWEKLTEQFWLDTRIPLSNDLDDWRTLSQLEKDTVGHVFGGLTLLDTVQSESGMDQLRKDVRTPHEEAVLNNIQFMESVHAKSYSSIFSTLNTKKEIEEIFDWTNTNPYLQKKAERINEIYKHGTPLEKKIASVFLETFLFYSGFYTPLYYLGNNKLANVAEIIKLIIRDESVHGTYIGYKFQLGFNELPEAEQETLKDWMYNLLYELYENEERYTEELYDPIGWTEEVKTFLRYNANKALMNLGMDPLFPDTANDVNPIVMNGISTGTSNHDFFSQVGNGYLLGHVEAMKDDDYLIGLE 1KGO Chain:A ((17-297)) ------KAINWNVIPDEKDLEVWDRLTGNFWLPEKIPVSNDIQSWNKMTPQEQLATMRVFTGLTLLDTIQGTVGAISLLPDAETMHEEAVYTNIAFMESVHAKSYSNIFMTLASTPQINEAFRWSEENENLQRKAKIIMSYYNGDDPLKKKVASTLLESFLFYSGFYLPMYLSSRAKLTNTADIIRLIIRDESVHGYYIGYKYQQGVKKLSEAEQEEYKAYTFDLMYDLYENEIEYTEDIYDDLGWTEDVKRFLRYNANKALNNLGYEGLFPTDETKVSPAILSSLS----------------------------------

General information: TITO was launched using: RESULT: Template: 1KGO.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 : 1330 -112019 -84.22 -398.64 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -84.22 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.505

(partial model without unconserved sides chains): PDB file : Tito_1KGO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1KGO-query.scw PDB file : Tito_Scwrl_1KGO.pdb: