Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKTFSSLKRLARYIRPYRETFLLVILFTVLTVAFNVALPYVTGLPTTEISRNIANGESINFSYIFKCLIWITV----VGIGYCISQLLSGVLMTNVVQSAMHDLRRDIEEKINRLPVSYFDKNQQGNILSRVTNDVDAVSGALQQAFIGIVNAILGITLAAAMMFYIQPMMALISMIMIPTSIWISKRVINASQKYFQSMQNSLGELNGYVQENMTGFSVLKVYGREKETLEGFKKVNHSLKYFGFRAAF----ISGLMMPLVQLTAYATYIGMAVLGSFYVITGAIVVGQLQAFIQYIWQISQPMGNVTQLSSVLQSASAATKRVFEILDEPEEKENKVDASLPETILGDVTFDHVDFAYDPK--KPLIQD-----LNFEVKAGQTVAVVGPTGAGKTTLINLLMRFYDVDKGAIRIDGIDTKSMSRSDVRSLFGMVLQDAWLYQGTIADNIRFGKLDATDYEVVDAAKTANVDHFIRTMPDGYDMAINSEGDNVSLGQKQLLTIARAVVSDPKI-LILDEATSSVDTRLEALIQKAMDRVMEGRTSFVIAHRLSTIRDADLILVMDQGQIIEKGTHESLLAQGGFYEKLYNSQFAEEAE 5MKK Chain:A ((16-598)) ---------RILRYVWPYRLQVVLALLFLLVVTLAAAATPLFF---KWAIDLALVPTEPRPLAERFHLLLWISLGFLAVRAVHFAATYGETYLIQWVGQRVLFDLRSDLFAKLMRLHPGFYDRNPVGRLMTRVTSDVDAINQFITGGLVGVIADLFTLVGLLGFMLFLSPKLTLVVLLVAPVLLAVTTWVRLGMRSAYREMRLRLARVNAALQENLSGVETIQLFVKEREREEKFDRLNRDL----FRAWVEIIRWFALFFPVVGFLGDFAVASLVYYGGGEVVRGAVSLGLLVAFVDYTRQLFQPLQDLSDKFNLFQGAMASAERIFGVLDTEEELKDPEDPTPIRGFRGEVEFRDVWLAYTPKGVEPTEKDWVLKGVSFRVRPGEKVALVGATGAGKTSVVSLIARFYDPQRGCVFLDGVDVRRYRQEELRRHVGIVLQEPFLFSGTVLDNLRLFDPSVPPERVEEVARFLGAHEFILRLPKGYQTVLGERGAGLSTGEKQLLALVRALLASPDILLILDEATASVDSETEKRLQEALYKAMEGRTSLIIAHRLSTIRHVDRILVFRKGRLVEEGSHEELLAKGGYYAALYRLQFQE---

General information: TITO was launched using: RESULT: Template: 5MKK.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 : 2289 -131905 -57.63 -232.64 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -57.63 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.464

(partial model without unconserved sides chains): PDB file : Tito_5MKK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5MKK-query.scw PDB file : Tito_Scwrl_5MKK.pdb: