Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKIYVLDTNVLLQDPNAIFSFEENEVVIPAVVLEEVDSKKRYMDEVGRNARHVSKLIDALRQKGRLHEHVPLDTGGTLRIELNHRSFHQLQEIFIEKTNDNRILAVAKNLSLEEETKENGRPVILVSKDVLVRVKADAIGLLAEDFLNDRVVDNDEMYSGYKDLYISQQLFSSFYGKNQISVNDVKQHAFYPNQFALMKDELGGSSSAVGIADKTGTVLKRLVFDDEHIWGIRPKNVQQTMALELLLREDIPLVTLIGKAGTGKTLL-ALAAGLLQTED-LGIYKKLVVARPIV-PVGKDIGYLPGEKEEKLKPWMQPIFDNLEFLFNAKKPGE---------------------------LDAILAGIGSIQVEALTYIRGRSIPDQFIIIDEA-QNLTRHEVKTLLTRVG---EGSKIVL-MGDPEQIDHPYLDSLNNGLAYVVERFKGQPISGSVKLLKGERSGLAQLAADLL 4Q4H Chain:B ((380-554)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PGQKVALVGPTGSGKTTIVNLLMRFYDVDRGQILVDGIDIRKIKRSSLRSSIGIVLQDT--IL--FSTTVKENLKYGNPGATDEEIKEAAKLTHSDHFIKHLPEGYETVLTDNGE-DLSQGQR--QLLAITRAFLANPKILILDEATSNVDTKTEKSIQAAMWKLMEGKTSIIIAHRLNTIK---------------------------------------------

General information: TITO was launched using: RESULT: Template: 4Q4H.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 : 499 -37938 -76.03 -270.98 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain B : 0.57 3D Compatibility (PKB) : -76.03 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.357

(partial model without unconserved sides chains): PDB file : Tito_4Q4H.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4Q4H-query.scw PDB file : Tito_Scwrl_4Q4H.pdb: