Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIEKIKQAASFLYWGKMMAGFYRTNLGRVALQQRNIALNAKQRHLLLLI----DHE-DFQTLNTEFKKR-IAPPELIQQLIDLKLIAPISENDSEFTEQIPLSESPTTSLEVKAQQKSTIDENESADLTGEIKVSLEPSCHSSNIENTQPPIPVQQLTFEEIQLLMKQSLSQYCGLMAKPLIQKIEQIKNLQELKMCQMQWITSLQESRIPPHELTHTLHSINYSIQLIQQKN 4NB5 Chain:B ((29-86)) ----------------------------------SRSLTRLAGRLLGWLLVCDPERQSSEELATALAASSGGISTNARMLIQFGFIERLAVA---------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4NB5.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 149 -10009 -67.17 -192.48 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain B : 0.56 3D Compatibility (PKB) : -67.17 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.514

(partial model without unconserved sides chains): PDB file : Tito_4NB5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NB5-query.scw PDB file : Tito_Scwrl_4NB5.pdb: