Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIFSERMGEMTRLRAADIAAGYENKKIIENMSVTIPEGKITSLIGPNGSGKSTLLKSFTRILPVKSGKIIVNNSDISTYSSKELA---KKIALLAQTSEHPT-GMTVEEVVSYGRYPYQKLFSGMDTQDHEAIEWALDATGLAGFRMRDIATLSGGQTQRVWIAMALAQETDILILDEPTTFLDPAHQLEILQLLTEINQMKQTTILMSIHDINHASRFSDYLLAMKNGKLITEGTPEEVITKECMKKIFEIDATIVTLPRTNKPVFLTYDLLPKEQEDQL 5X40 Chain:B ((31-244)) -------------------------KALDDLSLAVPKGESLAILGPNGAGKSTLLLHLNGTLRPQSGRVLLGGT-ATGHSRKDLTGWRRRVGLVLQDADDQLFATTVFEDVSFG--PLNLGLS--EAEARARVEEALAALSISDLRDRPTHMLSGGQKRRVAIAGAVAMRPEVLLLDQPTAGLDLAGTEQLLTLLRGL-RAAGMTLVFSTHDVELAAALADRVALFRTGRVLAEGAAEAVLSDRA------------------------------------

General information: TITO was launched using: RESULT: Template: 5X40.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 : 1032 -8727 -8.46 -41.55 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.75 3D Compatibility (PKB) : -8.46 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.531

(partial model without unconserved sides chains): PDB file : Tito_5X40.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5X40-query.scw PDB file : Tito_Scwrl_5X40.pdb: