Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNRFASKEEEKLYYEHKASEEEFLNWYQKQERPEYDKPSLTVDIVLMCYNKEEDQLKVLLIQRKGHPYRNSWALPGGFVQKDESTGESVLRETKEETGVVISKENI--EQLHTFSTPNRDPRGWVVTVSYLAFIGEEPLIAGDDAKEVRWFTLERHSNKIHLSSGEVAISLDLVTGESSGKDTLAFDHSQIILKAFNRVVNKMEHEPQVLQVLGKDFTITEARKVFAKFLGIDYKTIDHSNFKKAMLQYFDEIGERPVGIGRPSKIYQLKPGHHE 5DEQ Chain:A ((16-191)) ---------------------------------------LGIDCIIFGFN--EGEISLLLLKRNFEPAMGEWSLMGGFVQKDESVDDAAKRVLAELTGL----ENVYMEQVGAFGAIDRDPGERVVSIAYYALI---------NINEYDRELVQKH-NAYWVNINELP--------------ALIFDHPEMVDKAREMMKQKASVEPIGFNLLPKLFTLSQLQSLYEAIYG---EPMDKRNFRK-------------------------------

General information: TITO was launched using: RESULT: Template: 5DEQ.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 : 761 -33441 -43.94 -196.71 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -43.94 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.491

(partial model without unconserved sides chains): PDB file : Tito_5DEQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5DEQ-query.scw PDB file : Tito_Scwrl_5DEQ.pdb: