Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLACGSDDLRTEEGLRIAALYGWDPEDTACQLLQRGENGTFLVRTSGTRYILRRYRRERYREQEILAELAWMCALRDHI-NVPNVIANTEGDLATRLVGPDGERLYAVFEFIEGESPESSSSEDYRRLG-ELMKALHRGADAIA-----------QSMNEDWAGWNRP-VYDVQ-RAVREPLRHLLQFEALSEVNKTRCVSVARELE-----RRFRTLQPGRPFVHADLHFGNIVVREPN-WYCLDFDECGYGHRAFDLGV-VRLHLRNRSDNFDCWAHF-EHGYGDMPSRGDLATGT-AAR-IFYMAGKIPMRQDIDSLRHNPDARIGKYLTWIEDELM------ 2Q83 Chain:A ((11-346)) -LSAEDAKKLTELAENVLQGWDVQA-----EKIDVIQALVWKVHTDSGAVCLKRIH---RPEKKALFSIFAQDYLAKKGMNVPGILPNKKGSLYSKH----GSFLFVVYDWIEGRPFELTV-KQDLEFIMKGLADFHTASVGYQPPNGVPIFTKLGRWPNHYTKRCKQMETWKLMAEAEKEDPFSQLYLQEIDGFIEDGLRIKDRLLQSTYVPWTEQLKKSPNLCHQDYGTGNTLLGENEQIWVIDLDTVSFDLPIRDLRKMIIPLLDTTGVWDDETFNVMLNAYESRAPLTEEQKQVMFIDMLFPYELYDVIREKYVRKSALPKEELESAFEYERIKANALRQLI

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 : 1257 -20246 -16.11 -67.26 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -16.11 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.305

(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: