Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKLQQTLYQFFGFTSFKKGQQDIIESILSGKDTIAMLPTGGGKSLCYQLPGYMLDGMVLIVSPLLSLMEDQVQQLKARGEKRAAALNSMLNRQERQFVLEHIHR--YKFLYLSPEALQSPYVLEKLKSVPISLFVIDEAHCISEWGHDFRPDYSKLGQLRKKLGHPPVLALTATATKETLQDVMNLLELQHAVRHLNSVNRPNIALRVENAADTAEKIDRVIQLVENLQGPGIVYCPTRKWAKELAGEIKSKTSSRADFYHGGLESGDRILIQQQFIHNQLDVICCTNAFGMGVDKPDIRYVIHFHLPQTAEAFMQEIGRAGRDGKPSVSILLRAPGDFELQEQIIQMESVTAEEIADVIRVLEKTEERDE-RRLR----DVLLQYGVGETQAR-MMIHLFMQGKTSVELMKKEISYRMELKLEKMHRVSFLLQRDGCLRQALLTYFDESYEPDDGNLPCCSHCGFDLSLYEQKGERSKMAPLDSWSSELHRIFSLQTVGELN 4Q47 Chain:B ((16-390)) -------LQTIWGYPAFRGVQGEIVQQVAEGGNALVLMPTGGGKSLCYQLPSLLRPGTGIVVSPLIALMKDQVDTLRQNG-VRAAFLNSTLLPHEAREVEDALLRGDLDLLYVAPERLLMPRTLDLLERAPVALFAIDEAHCVSQWGHDFRPEYQQLSVLAERFPELPRVALTATADERTRADIKSVLRLEDAPQFVSSFDRPNIQYRVGLKDSPKTQLLHFIR-EEHPGDAGIVYCLSRKSVEETAKWLQAQGID-ALAYHAGLSSTERNNVQERFLNEEGVIVCATVA-----DKPNVRFVAHLDLPKSMEGYYQETGRAGRDGLPSTAWMVYGLSD-----------------VVNVRRMLAQSDAPEEVKRVEASKLDALLTYCEAATCRRQVLLHYF------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4Q47.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1786 -76922 -43.07 -212.49 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.74 3D Compatibility (PKB) : -43.07 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.530

(partial model without unconserved sides chains): PDB file : Tito_4Q47.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4Q47-query.scw PDB file : Tito_Scwrl_4Q47.pdb: