Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDDATDELATLIARGLGV-LRPKRLHAGAEAVAYELDDAR--VLKVYHA-GGSAERFATIASFYARLNSDRAGFAVPRILTHGVEGGRAYSVEKRLLGEPLSTRAHFLTDTDLIDAYLAAALRVGRIQVEP-EWNSWTMFGEQRHGDWHQHVRGQIESQSRALAR-MLQPAYWERLAN--ATADVRQHFDR--PFLGKVCLIHGDFHPGNVLVGATGRVLSLVDFGAFTTFGDAAFDVATACGYFSMYEPDQATTRRSLVARLLRMEG--SPPGALVAMYLKLAAFLTCTAYPDDRVAVQDTGHFQWAMSVLFDPMLDELVDRVPH 1ND4 Chain:A ((10-264)) --GSPAAWVERLF---GYDWAQQT-IGCSDAAVFRLSAQGRPVLFVKTDLSGALNELQDEAARLSWLAT--TGVPCAAVLDVVTEAGRDWLLLGEVPGQDLLSS--HLAPAEKVSIMADAMRRLHTLDPATCPFDHQ--------------AKHRIERARTRMEAGLVDQDDLDEEHQGLAPAELFARLKARMPDGEDLVVTHGDACLPNIMV-ENGRFSGFIDCG-RLGVADRYQDIALATRDIAEELG------GEWADRFLVLYGIAAPDSQRIAFYRLLDEFF---------------------------------------

General information: TITO was launched using: RESULT: Template: 1ND4.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 : 1120 -18035 -16.10 -74.22 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -16.10 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.354

(partial model without unconserved sides chains): PDB file : Tito_1ND4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1nd4-query.scw PDB file : Tito_Scwrl_1ND4.pdb: