Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKLVFMGTPAFSVPILEGLIESGYEIQAVVTQPDRPVGRKRVITPTPVKEAALKHGIRVLQPEKISGSPEMEEIIELVPDVIVTAAFGQFLPEKLLQVPKLGAINVHASLLPKYRGGAPVHYAIMNGEKETGVTIMEMIKKMDAGGIYAQESIPITKQDDVGTMFEKLSLLGRKLLLETLPNILDGQ-KPVPQDESEATFSPNITREQEAIDWHKTAEEIDNQVRGMRPWPIAFTTYEGIRWKLLSVEVLAETTDKAPGTIIRKDKKNLWIACGKQTVLAINELQPAGKGKQAVHDFLNGSGQQVQIGQQVK 5UAI Chain:B ((14-318)) --RIVFAGTPEFAAEHLKALLDTPHRIVAVYTQPDRPAGRGQKLMPSAVKSLALEHGLPVMQPQSLRNAEAQAELAALRADLMVVVAYGLILPQAVLDIPRLGCINSHASLLPRWRGAAPIQRAVEAGDAESGVTVMQMEAGLDTGPMLLKVSTPISAADTGGSLHDRLAALGPKAVIEAIAGLAAGTLHGEIQDDALATYAHKLNKDEARLDWSRPAVELERQVRAFTPWPVCHTSLADAPLKVLGASL--GQGSGAPGTILEASRDGLLVACG-EGALRLTRLQLPGGKPLAFADLYNSRREQFAAGQ---

General information: TITO was launched using: RESULT: Template: 5UAI.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1585 -115350 -72.78 -379.44 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : -72.78 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.531

(partial model without unconserved sides chains): PDB file : Tito_5UAI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5UAI-query.scw PDB file : Tito_Scwrl_5UAI.pdb: