Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKSLSVQELSKNFGHKQALSDVSFSLSPGKIVGLVGPNGAGKTTIMKAILGLIHYSDGTICIGENEISPSSHKGLEQVGALIEYPGIYPFLTGYDHLKL------FSETNDVSAIDTIVNQLKMEKYIHKKAKSYSLGMKQKLGIALALLNHPSIVILDEPMNGLDPQATRDVRKIITDLATQGTSFLISSHLLSELEKMVDELILINQGKIIKQCTMAELNQTAQDFIVISTTNDLAARTILTEAGYTLEDPDKIKLLKENEELLGTVIQLLSAQNIHVTDVQHLTNDLESSLLEILDSVKGEEEK 4RVC Chain:A ((2-223)) -TLLEVKDLSGGYTAQNVLEDVTFVVDRGEMVALIGLNGAGKSTTIKHIIGLMEPRRGAISINGYRLADGPETYRRQFAYIPETPVLYEELTLEEHLRLAAMAYGLSEAEYERRLPPLLREFRLERRLSSFPAHFSKGMKQKVMIVCAFLLEPPLYIIDEPFLGLDPLAIHALLERMNEQKAKGAGILLSTHILATAERYCDSFVILHNGRVKAKGTLDDIRR------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4RVC.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 : 1076 -57139 -53.10 -264.53 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -53.10 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.593

(partial model without unconserved sides chains): PDB file : Tito_4RVC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4RVC-query.scw PDB file : Tito_Scwrl_4RVC.pdb: