Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTSVHQLQGVGSASAALLEKLNIFTTDDLLFHLPRDYEDRSTIIPMNQLMVGRTYLLEGEVKSVDFPPGKRKSMAALIQDEFGKVTLRFYHIYKNLTDKIKPGNRLRIFGEVRVGARGLELYHPEIQLINEHTTLPKTQLTAIYPSTDGLTQAKLREYVKQALKHHSDALPELLPKQYTNGYALKEALHYIHEPPIDANMIQLAQDSHPAQQRLIFEELVAHQISLLTRRAYIRQIASPAFPSSKVLAKKLLEALPF-QMTNAQKRVSKEILNDLKQHQPMLRLVQGDVGAGKTLVAAVAACHALEADWQVALMAPTEILAEQHYLNFKRWFEPLGITVAWLSGKQKGKARAHAERQIKEGHAELIVGTHALFQD-----NVEFAKLGLVIIDEQHRFGV---DQRLALRNK---GAEQLTPHQLVMTATPIPRTLAMSAY--GDLDTSIIDELPPGRTPIQTVTIPLD-RREEVLQRIASNCREGKQAYWVCTLVEQSETLDAQAAEATYQEMKERFPELNIGLVHGKMKADEKQAVMQAFKNNELQLLIATTVIEVGVDVPNASIMVIENAERLGLSQLHQLRGRVGRGAKASFCVLLYKPPLSQNGQERLSILRESNDGFVIAEKDLELRGPGELLGTKQTGDMGFRVARLERDDHLLSQAHYVAQQVLKDYPEQADALLKRWLPEAPRYAYV 4Q48 Chain:B ((10-343)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DRALHLLQTIWGYPAFRGVQGEIVQQVAEG------GNALVLMPTGGGKSLCYQLPSLLR---PGTGIVVSPLIALMKDQVDTLRQNG----VRAAFLNSTLLPHEAREVEDALLRGDLDLLYVAPERLLMPRTLDLLERAPVALFAIDEAHCVSQWGHDFRPEYQQLSVLAERFPELPRVALTATADERTRADIKSVLRLEDAPQF-VSSFDRPNIQYRVGLKDSPKTQLLHFIREE-HPGDAGIVYCL--------SRKSVEETAKWLQAQ--GIDALAYHAGLSSTERNNVQERFLNEEGVIVCATVA-----DKPNVRFVAHLDLPK-SMEGYYQETGRAGRDGLPSTAWMVYGLS--------------------------------------------------------------------------------------------

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 B - contact count / total energy / energy per contact / energy per residue : 1547 -8671 -5.60 -27.61 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain B : 0.60 3D Compatibility (PKB) : -5.60 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.468

(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: