Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEISDIIYGQHHIDGVLEELIKSAPVQRLKGIYQGGASFLVNRKWNVTRYEHSIGVMLLIKKLGGTIE---------------EQIAGLLHDVSHTAFSHVVDVVFE--------NQAEDYHENIFQQVIVHSEIPDILQKHGYHTEE----LLSDDSR---------------WTLLEQPAPELCADRTDYTLRDMYRYGHINLHEAQTFLDHLIVRN----GRMFPDS--IEAAEWFVSVYYKEVIDFFLNPVNVYGYEYLARALKAALRH---------------DVISAEDLL-KTDQEVLNILRASKN--EEVLSLLTSIHPGIQVIEDDIQYDFHQKKKMRLIDPSIFLDDKWIKSSGVSEKVRKMGEAAYQKAKKGVYIKILKQ 5AO0 Chain:A ((99-458)) -VINDPIHGHIELHPLLVRIIDTPQFQRLRYIKQLGGGYYVFPGASHNRFEHSLGVGYLAGCLVHALGEKQPELQISERDVLCVQIAGLCHDLGHGPFSHMFDGRFIPLARPEVKWTHEQGSVMMFEHLINSNGIKPVMEQYGLIPEEDICFIKEQIVGPLWPYKGRPENKSFLYEIVSNKRNGIDVDKWDYFARDCHHLGIQNNFDYKRFIKFARVCEVDNELRICARDKEVGNLYDMFHTRNSLHRRAYQHKVGNIIDTMITDAFLKADDYIEITGAGGKKYRISTAIDDMEAYTKLTDNIFLEILYSTDPKLKDAREILKQIEY----------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5AO0.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 : 1236 -145916 -118.05 -561.21 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -118.05 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.385

(partial model without unconserved sides chains): PDB file : Tito_5AO0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5AO0-query.scw PDB file : Tito_Scwrl_5AO0.pdb: