Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDQKDFRENLELKPVTQEHIDQFNELLSYVFQVTEADIEESGFENKRAFIRSKKPILEVSKVFGWFHENKLISQIAIYPCEVNIHG-ARYKMGGVTGVGTYPEYANHGLMQDLIIVALDNMRKNKQWISYLYPYSIPYYRRKGWEIMSDKLSFKIR------DTQLPKQIPVSGMVERLPVD--HPDVFSVYDKFAQQNHGALFRSDFHWEEYWRFENEDERTAAVYYDSNHEPRGVLFYWVAE---EIFHVKEMFYLDQEARNGLWNFISAHFSMIYWVHGDIYKNEPLAFLIEDSQ--IKEQIEPYFMARIVDVKEFLQRFPFVGTADAFHFIIEDPVAPWNNGVFALTWDEQGQVRVLNEPIGKSVRLDIQTLTCLMMNYRRASYLARIERLE-TDEETLKSLERIIPNMEAYFSDYF- 3R1K Chain:A ((29-428)) ---------VTLCSPTEDDWPGMFLLAAASFT----------DFIGPESATAWRTLVPTDGAVVVRDGSEVVGMALYMDLRLTVPGEVVLPTAGLSFVAVAPTHRRRGLLRAMCAELHRRIADSGYPVAALHASEGGIYGRFGYGPATTLHELTVDRRFARFHADAPGGGLGGSSVRLVRPTEHRGEFEAIYERWRQQVPGGLLRPQVLWDELLA-ECKAAPGGDRESFALLHPDGYALYRVDRTDLKLARVSELRAVTADAHCALWRALIGLDSM-ERISIITHPQDPLPHLLTDTRLARTTWRQDGLWLRIMNVPAALEARGY----AHEVGEFSTVLEVSDGGRFALKIGD-GRARCTPTDAAAEIEMDRDVLGSLYLGAHRASTLAAANRLRTKDSQLLRRLDAAFASDVPVQTAFEF

General information: TITO was launched using: RESULT: Template: 3R1K.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 : 1951 -63802 -32.70 -167.90 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -32.70 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.378

(partial model without unconserved sides chains): PDB file : Tito_3R1K.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3R1K-query.scw PDB file : Tito_Scwrl_3R1K.pdb: