Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNRFASKEEEKLYYEHKASEEEFLNWYQKQERPEYDKPSLTVDIVLMCYNKEEDQLKVLLIQRKGHPYRNSWALPGGFVQKDESTGESVLRETKEETGVVISKENI--EQLHTFSTPNRDPRGWVVTVSYLAFIGEEPLIAGDDAKEVRWFTLERHSNKIHLSSGEVAISLDLVTGESSGKDTLAFDHSQIILKAFNRVVNKMEHEPQVLQVLGKDFTITEARKVFAKFLGIDYKTIDHSNFKKAMLQYFDEIGERPVGIGRPSKIYQLKPGHHE 5DD4 Chain:A ((16-187)) ---------------------------------------LGIDCIIFGFN--EGEISLLLLKRNFEPAMGEWSLMGGFVQKDESVDDAAKRVLAELTGL----ENVYMEQVGAFGAIDRDPGERVVSIAYYALI---------NINEYDRELVQKH-NAYWVNINELP--------------ALIFDHPEMVDKAREMMKQKASVEPIGFNLLPKLFTLSQLQSLYEAIYG---EPMDKRNFRK-------------------------------

General information: TITO was launched using: RESULT: Template: 5DD4.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 : 763 -37115 -48.64 -218.32 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -48.64 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.507

(partial model without unconserved sides chains): PDB file : Tito_5DD4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5DD4-query.scw PDB file : Tito_Scwrl_5DD4.pdb: