Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --MTLQKDKVIKWVRFTPPQVLAIGFFLTIIIGAVLLMLPISTTKPLSWIDALFTAASATTVTGLAVVDTGTQFTVFGQTVIMGLIQIGGLGFMTFAVLIVMILGKKIGLKERMLVQ-------EALNQPTIGGVIGLVKVLFLFSISIELIAALILSIRLVPQYGWSSGLFASLFHAISAFNNAGFSLWPDNLMSYV------GDPTVNLVITFLFITGGIGFT----------------VLFDVMKNRRFK---------TFSLHTKLMLTGTLMLN---AIAMLTVFILE-YSNPGTLGHLHIVDKLWASYFQAVTPRTAGFNS-LDFGSMREGTIVFTLLLMFIGAGSASTASGIKLTTFIVILTSVIAYLRGKKETVIFRRSIKYPIIIKALAVSVTSLFIVFLGIFALTITEQAPF--------------LQIVFETFSAFGTVGLTMGLTPELTTAGKCIIIVIMFIGRIGPLTFVFSFAKTEQSNIRYPDGEVFTG 3W36 Chain:A ((58-527)) IEFDLDKDNYIKWAQPTDENAGQSPTLAILGPMDVTVFLWINRVVWLAAFDAL--APYHETAVG-----VYSQIPRRPSSESATNRNLNIAALHAQHGVWKRVLPQQVDQLRELMTALGLDPSDETENLSSPVGIGNVAAKNAFNALKNDGMNFLGYEGRKYNPRPWAD--YTGYEPVNTAFKVNNPSRWQPQLQAHNARRAGGGPGDLGIYVTQHFVTPQTARTKAHIFRDPSRFRIPRPEFSDHTNTRAYKRSVDEIIDASANLNDERKALAEIMENKLWGIGHSSIVIANKYDQNNEMGVHGWCHWMLAHVLATFEPLIAAWHHKTRFDAVR----PVTAIRHVYGNRKIRAWGGVGMGTVDIRASEWSSYLPVGDHPE-------YPSGSTSLCSATSQAARRYFDSDELDWTINYPAGSTVVEPGITPGKDLSIHIPTWTDFTRTCATSRVWGGVHF-QTTVDRTIDFGEQFGDLAHEFVQRHVKG-------------

General information: TITO was launched using: RESULT: Template: 3W36.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 : 1989 -120223 -60.44 -292.51 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -60.44 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.149

(partial model without unconserved sides chains): PDB file : Tito_3W36.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3W36-query.scw PDB file : Tito_Scwrl_3W36.pdb: