Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKAKAERKFKKYFAQGLLALPYGQLIEKIVPVLQAPKDSLEIRQIIDRPFSVIMEVVTDEGRSFFVKVYKLRNPEKQRAELEREFAVSRFWFDKFKDDPEHRVIEPIWLD--------VENLILITRKSEGENLLKLTGRLHLFPAKRVQQRVHRSLSQAGQWLKKFQSFSIVEEVPYVKP----PVELTFSFLQDYILIRLQRMVQN------PKLD----FD-EHFQQKIIDYLKSLWQ----KA-GAQSERLTFAHTDFSLSNILAA-EDKVTVLDFNKCEINSPYKDLSRFYHQLYLLSFKPTFQKSVIEEMKASFLQGYG--APLAKDH-PMFQIFFIIHQVTHLGKISRFWERGLLENVYNHYLVSRVLKDLKQTVLV 2Q83 Chain:A ((20-300)) -----------------------TELAENVLQGWDVQAE--KIDVIQ----ALVWKVHT-DSGAVCLKRIHRP-EKKALFSIFAQDYLAK---------KGMNVPGILPNKKGSLYSKHGSFLFVVYDWIEGRPFELT--------V-------KQDLEFIMKGLADFHTASVGYQPPNGVPIFTKLGRWP--NHYTKRCKQMETWKLMAEAEKEDPFSQLYLQEIDGFIEDGLRIKDRLLQSTYVPWTEQLKKSPNLCHQDYGTGNTLLGENEQIWVIDLDTVSFDLPIRDLRKMIIPLLDTT------GVWDDETFNVMLNAYESRAPLTEEQKQVMF---------------------------------------------

General information: TITO was launched using: RESULT: Template: 2Q83.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 : 964 -19460 -20.19 -79.43 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -20.19 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.292

(partial model without unconserved sides chains): PDB file : Tito_2Q83.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2q83-query.scw PDB file : Tito_Scwrl_2Q83.pdb: