Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEAGAFGYIRGGSEDEWTMKENTTSFNTKKIMPRILRGIDSADLHTSVFGIELDTPIIQAPSAAQGLAHEKGEADTAKGVAAAGSIFSISTYANTTIKDAADAAPGAPQFFQLYMSKDDRFNEFILNKAVEAGAKAIILTADSTLGGYREEDVINQFQFPLPMPNLAAYSEQSASGNGEGKGIAEIYAA--AKQ---GLTPDDIKTIKEITHLPVIVKGIQSPEDAVIAISAGADGIWVSNHGGRQLDGGPASFEVLPKIAEVVNKRVPVIFDSGVRRGEHVFKALASGADLVAIGRPVIYGLNLVGQKE 2A85 Chain:A ((24-319)) -----YDYLEGGAEDEYGVKHNRDVFQQWRFKPKRLVDVSRRSLQAEVLGKRQSMPLLIGPTALNGALWPKGDLALARAATKAGIPFVLSTASNMSIEDLARQCDG-DLWFQLYVIHREIAQGMVL-KALHTGYTTLVLTTDVAVNGYRERDLHNRFKIP---PFLTLKNFEGIDLGKMDKANLEMQAALMSRQMDASFNWEALRWLRDLWPHKLLVKGLLSAEDADRCIAEGADGVILSNHGGRQLDCAISPMEVLAQSVAKTGK--PVLIDSGFRRGSDIVKALALGAEAVLLGRATLYGLAARGE--

General information: TITO was launched using: RESULT: Template: 2A85.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 : 1549 -34332 -22.16 -117.98 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -22.16 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.420

(partial model without unconserved sides chains): PDB file : Tito_2A85.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2A85-query.scw PDB file : Tito_Scwrl_2A85.pdb: