Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------------------------------MKCIQIEMSFTDEYGQVTRLNKTYKPSIIEEHKGEIPRLLLDDFKRFLSSLGFNEKQVSRIVTED---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 3CM8 Chain:A ((12-471)) IEPFLKTTPRPLRLPDGPPCSQRSKFLLMDALKLSIEIPLYDAIKCMKTFFGWKEPNIVKPHEKGINPNYLLAWKQVLAELQDIENEEKIPKTKNMRKTSQLKWALGENMAPEKVDFEDCKDVSEPKPRSLASWIQSEFNKACELTDSSWIELDEIIASMRRNYFTAEVSHCRATEYIMKGVYINTALLNASCAAMDDFQLIPMISKCRTKEGRRKTNLYGFIIKGRSHLRNDTDVVNFVSMEFSLTDPRLEPHKWEKYCVLEIGDMLLRTAIGQVSRPMFLYVRTNGTSKIKMKWGMEMRRCLLQSLQQIESMIEAESSVKEKDMTKEFFENKSETWPIGESPKGMEEGSIGKVCRTLLAKSVFNSLYASPQLEGFSAESRKLLLIVQALRDNLEPGTFDLGGLYEAIEECLINDPWVLLNASWFNSFLTHALK

General information: TITO was launched using: RESULT: Template: 3CM8.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 : 38 1712 45.04 26.33 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain A : 0.53 3D Compatibility (PKB) : 45.04 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.53 QMean score : 0.280

(partial model without unconserved sides chains): PDB file : Tito_3CM8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CM8-query.scw PDB file : Tito_Scwrl_3CM8.pdb: