Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------MTHDALITAALHPYGLSGAPFTVLRTLGNVVARVDTPDGPRGLRVCRSSVTRERLHEEFRVLAAARAAG-LDVPEPLPDVTGDPLPRAQGRDVALFRWVPGEGAGAHMSEAVAAQLG-TLSAHLHAALRALGQP-------------HPWYGPTHD-AAWLS-GPA-------SWWATRADRDLGAHACARMAPAIAACAQHLAHHAAEMQVIHADLHFGNALVRADGTVAAIDFDMCAVGLPAFDLAV-TEGEFEDFDHPDALKAAF-RGAYAAASGAPYPQGVAL-MRV-AASVAFLEWVFTSANDEVRTQKLRWVPRLIDRVAARAPGARQGGPTGSAGPRP 2Q83 Chain:A ((11-346)) LSAEDAKKLTELAENVLQGWDV---QAEKIDVIQALVWKVHTDSGAVCLKRIHRP--EKKALFSIFAQDYLAKKGMN-VPGILPNKKGSLYSKHGSFLFVVYDWIEGRPFEL--TVKQDLEFIMKGLADFHTASVGYQPPNGVPIFTKLGRWPNHYTKRCKQMETWKLMAEAEKEDPFSQLYLQEIDGFIEDGLRIKDRLLQSTYVPWTEQLKKSPNLCHQDYGTGNTLLGENEQIWVIDLDTVSFDLPIRDLRKMIIPLLDTTGVWDDETFNVMLNAYESRAPLT-EEQKQVMFIDMLFPYELYDVIREKYVRKSALPKEELESAFEYERIKANALRQLI----------

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 : 1243 33925 27.29 113.84 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 27.29 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.296

(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: