Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKLQQTLYQFFGFTSFKKGQQDIIESILSGKDTIAMLPTGGGKSLCYQLPGYMLDGMVLIVSPLLSLMEDQVQQLKARGEKRAAALNSMLNRQERQFVLE--HIHRYKFLYLSPEALQSPYVLEKLKSVPISLFVIDEAHCISEWGHDFRPDYSKLGQLRKKLGHPPVLALTATATKETLQDVMNLLELQHAVRHLNSVNRPNIALRVENAADTAEKIDRVIQLVEN--LQGPGIVYCPTRKWAKELAGEIKSKTSSRADFYHGGLESGDRILIQQQFIHNQLDVICCTNAFGMGVDKPDIRYVIHFHLPQTAEAFMQEIGRAGRDGKPSVSILLRAPGDFELQEQIIQMESVTAEEIADVIRVLEKTEERDERRLRDVLLQYGVGETQARMMIHLFMQGKTSVELMKKEISYRMELKLEKMHRVSFLLQRDGCLRQALLTYFDESYEPDDGNLPCCSHCGFDLSLYEQKGERSKMAPLDSWSSELHRIFSLQTVGELN 4Q48 Chain:A ((10-407)) -DRALHLLQTIWGYPAFRGVQGEIVQQVAEGGNALVLMPTGGGKSLCYQLPSLLRPGTGIVVSPLIALMKDQVDTLRQNG-VRAAFLNSTLLPHEAREVEDALLRGDLDLLYVAPERLLMPRTLDLLERAPVALFAIDEAHCVSQWGHDFRPEYQQLSVLAERFPELPRVALTATADERTRADIKSVLRLEDAPQFVSSFDRPNIQYRVGLKDSP---KTQLLHFIREEHPGDAGIVYCLSRKSVEETAKWLQAQ-GIDALAYHAGLSSTERNNVQERFLNEEGVIVCATVA-----DKPNVRFVAHLDLPKSMEGYYQETGRAGRDGLPSTAWMVYGLSDVVNVRRMLAQSDAPE---------------------------------------------------------EVKRVEASKLDALLTYCEAATCRRQVLLHYFGE-EL--SEPCGNCDVCLNP------------------------------------

General information: TITO was launched using: RESULT: Template: 4Q48.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 : 2014 -53028 -26.33 -136.32 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -26.33 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.543

(partial model without unconserved sides chains): PDB file : Tito_4Q48.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4Q48-query.scw PDB file : Tito_Scwrl_4Q48.pdb: