Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDDATDELATLIARGLGVLRPKRLHAGAEAVAYELDDARVLKVYHAGGSAERFATIASFYARLNSDRAGFAVPRILTHGVEGGRAYSVEKRLLGEPLSTRA-H--FLT-DTDLIDAYLAAALRVGRIQVEPEWNSWTMFGEQRHGDWHQHVRGQIESQSRALARMLQPAYWERLANATADVRQHFD-R--PFLGKVCLIHGDFHPGNVLVGATGRVLSLVDFGAFTTFGDAAFDVATACGYFS-MYEPDQATTRRSLVARLLRMEGSPPGALVAMYLKLAAFLTCTAYPDDRVAVQDTGHFQWAMSVLFDPMLDELVDRVPH 3HAM Chain:A ((1-273)) MVNLDAEIYEHLNKQIKINELRYLSSGDDSDTFLCNEQYVVKVPKRDSVRISQKREFELYRFLENCKLSYQIPAVVYQ----SDRFNIMKYIKGERITYEQYHKLSEKEKDALAYDEATFLKELHSIEIDCSVSLF---SDALVNKKDKFLQDK-KLLISILEKE--QLLTDEMLEHIETIYENILNNAVLFKYTPCLVHNDFSANNMIFRNN-RLFGVIDFGD-FNVGDPDNDFLCLLDCSTDDFGKEFGRKVLKYYQ-HKAPEVA--ERKAELNDVYWSIDQIIYG----------------------------------

General information: TITO was launched using: RESULT: Template: 3HAM.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 : 1122 -64271 -57.28 -242.53 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -57.28 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.327

(partial model without unconserved sides chains): PDB file : Tito_3HAM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ham-query.scw PDB file : Tito_Scwrl_3HAM.pdb: