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

General information: TITO was launched using: RESULT: Template: 1KGP.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 : 1309 -105414 -80.53 -375.14 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -80.53 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.504

(partial model without unconserved sides chains): PDB file : Tito_1KGP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1KGP-query.scw PDB file : Tito_Scwrl_1KGP.pdb: