Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRRLKKIRLIFLLGIAFLALAGCKGNGLANEDILERSKSTNEIIWGVKYDTRLFGMMDIESRTVQGFDVDIAKAITKKILGDNGKTEFVEVTSKTRIPLLKNGNIDAIIATMTITDERKKQVDFSDVYFDAGQALLVKKGSQIKSVDDLNASTTVLAVKGSTSAANIRQHAPDAKILELENYAEAFTALQSGQGDAMTTDNAILLGIADENPEYEL-VGGTFTNEPYGIAINKGQENFLKAVNQALEEMHADGTYDKIYQKWFPNETEGKVE 2YJP Chain:B ((60-273)) ---------------------------------------------GVFGDKPPFGYVDANGKN-QGFDVEIAKDLAKDLLGSPDKVEFVLTEAANRVEYVRSGKVDLILANFTQTPERAEAVDFADPYMKVALGVVSPKNKPITDMAQLK-DQTLLVNKGTTADAFFTKSHPEVKLLKFDQNTETFDALKDGRGVALAHDNALLWAWAKENPNFEVAIGNLGPAEFIAPAVQKGNADLLNWVNGEIAAMKKDGRLKAAYEK-----------

General information: TITO was launched using: RESULT: Template: 2YJP.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 : 1113 -68108 -61.19 -319.75 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.75 3D Compatibility (PKB) : -61.19 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.455

(partial model without unconserved sides chains): PDB file : Tito_2YJP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2YJP-query.scw PDB file : Tito_Scwrl_2YJP.pdb: