Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSEATGKKAVLHLDGKEIELPIYSGTLGPDVIDVKDVLASGHFTFDPGFMATASCESKITFIDGDKGILLHRGYPIDQLATQADYLETCYLLLNGELPTAEQKVEFDAKVRAHTMVHDQVSRFFNGFRRDAHPMAIMVGVVGALSAFYHNNLDIEDINHREITAIRLIAKIPTLAAWSYKYTVGQPFIYPRNDLNYAENFLHMMFATPADRDYKVNPVLARAMDRIFTLHADHEQNASTSTVRLAGSTGANPYACISAGISALWGPAHGGANEAVLKMLDEIGSVENVAEFMEKVKRKEVKLMGFGHRVYKNFDPRAKVMKQTCDEVLEALGINDPQLALAMELERIALNDPYFVERKLYPNVDFYSGIILKAIGIPTEMFTVIFALARTVGWISHWLEMHSGPYKIGRPRQLYTGEVQRDIKR 1IOM Chain:A ((3-371)) --------------------------------------------VARGLEGVLFTESRMCYIDGQQGKLYYYGIPIQELAEKSSFEETTFLLLHGRLPRRQELEEFSAALARRRALPAHLLESFKRYPVSAHPMSFLRTAVSEFGMLDPTEGD-ISREALYEKGLDLIAKFATIVAANKRLKEGKEPIPPREDLSHAANFLYMANGV------EPSPEQARLMDAALILHAEHGFNASTFTAIAAFSTETDLYSAITAAVASLKGPRHGGANEAVMRMIQEIGTPERAREWVREKLAKKERIMGMGHRVYKAFDPRAGVLEKLARLVAEKHG-HSKEYQILKIVEEEAGK--VLNPRGIYPNVDFYSGVVYSDLGFSLEFFTPIFAVARISGWVGHILEYQELDNRLLRPGAKYVGELDVPYV-

General information: TITO was launched using: RESULT: Template: 1IOM.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 : 1890 -228910 -121.12 -620.35 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -121.12 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.513

(partial model without unconserved sides chains): PDB file : Tito_1IOM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1IOM-query.scw PDB file : Tito_Scwrl_1IOM.pdb: