Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQELANRLAIQNFVNAYMQETGKGYLLSFDQQSSTQQAFSSGSTLLTLPLPSIQAECSVPLSYVSRVGRHRLAALPKMCIDGQWQKFSAGTIVSLLLEELVIESQFKLDAAS---LLEKWIQSRDALLQFLKQRHNDFDDLVKAGQNFIESEQALILGHSMHPAPKSRNGFVHEDWLKFSPEHAGKTQLHYWLVHQNYIAEGCATEQPISDQVKDAIRWCLSESDLNLLKTHVEFK-LLPLHPWQARYLQGKPWFEQLKQTGQLIDIGLRGWQFSPTTPIRTLASFNAPWMVKTSLSVMITNSIRVNLAKECHRGEISYRLWHSDLGKKILKQCPTLKAVNDPAWIALQ-IDGEIINETICIFR-----DQPFAVQQQVTCIASLCQDHPNKELNRFNALFDQIAQKNQQTNFKEIALDWFDHFLKIGLAPLMYVYHKYGMAFESHQQNVLLELEDGFPKNLWLRDNQGFHYIEEFATEIVEALPDLLEKAHA--VGPKDFVDERFSYYFFGNTLFGLINAIGATGYISEDELLIHLQQNLLQLLEQYPDSTLLQGLLFNDSLPYKGNLLTRLHELDELIAPLEHQSVYVQLPNPLYVEQKDVSYA 5JM8 Chain:A ((14-574)) -------VAAQCFLNSLVRETKDWRLTEYQ------------PTQLIIPLGEQQA-LHFRVAYFSPTQHHRFEFPARLVTASGSHPVDFATLSRLIVDKL--QHQLLLPATSCETFHQRVMESHAHTQQAIDARH-DWAALREKALNFGEAEQALLVGHAFHPAPKSHEPFNQQEAERYLPDFAPHFPLRWFAVNKTQIAG-----ESLHLNLQQRLTRFAAENAPQLLNELSDNQWLFPLHPWQGEYLLQQEWCQELVAKGLIKDLGEAGAPWLPTTSSRSLYCATSRDMIKFSLSVRLTNSVRTLSVKEVKRGMRLARLAQTDDWQTLQARFPTFRVMQEDGWAGLRDLHGNIMQESLFALRENLLVDQP---QSQTNVLVSLTQAAPDGGDSLLVAAVKRLSDRLGITA-QQAAHAWVDAYCHQVLKPLFTAEADYGLVLLAHQQNILVQMLGDLPVGLIYRDCQGSAFMPHAAGWL-----DTIGEAQAENVFTREQLLRYFPYYLLVNSTFAVTAALGAAGLDSEANLMARVRTLLAEMRDQVTHKTCLNYVLENPYWNVKGNFFCYLN------DP---SVIYFDFANPLLAQ-------

General information: TITO was launched using: RESULT: Template: 5JM8.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 : 3060 -66308 -21.67 -122.57 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -21.67 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.516

(partial model without unconserved sides chains): PDB file : Tito_5JM8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5JM8-query.scw PDB file : Tito_Scwrl_5JM8.pdb: