Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNPLLIVGTRQWKGVHSVMAYKYLVIVESPAKAKTIEKYLGRNYKVMASVGHIRDLPKSK--------------MGIDFENNYEPHYISIRGKGDVIKSLKAAAKKAQKVYLASDPDREGEAIAWHLAYLLGLDLKEKNRVVFNEITKDAVKAAFKEPRTIDVDLVDAQQARRTLDRIVGYSISPILWRKVKKGLSAGRVQSVALKIIIDREKEIREFVPEEYWSIDGNFKKAR-------KKFKANFWGIDG------------------KKKKLPDAQSVKEVTARIDGTDFEVKKVEKKERKRNPANPFTTSSLQQEAARKLNFRTRKTMMVAQQLYEGITLGKQGTVGLITYMRTDSTRIADTAKAEAAAFIEDTYGKEFSRHDHRKIKN-AQGAQDAHEAVRPTSVLR-TPDELK---QYLDKDQLKLYTLIWSRFVASQMTPAILDTMKVTLEQ----NGVIFIANGSKIKFKGFMQVYVEGRDDG----KEEKENILPELEEGDVVQSVDIEPKQHFTQPPARFSEATLIRALEENGVGRPSTYAPTLDTIQRRYYVKLTQKRFEPTELGEIVNSLICEFFPQIVDIHFTAEMEGDLDKIEEGTEAWVKVVDRFYKPFEKELTNAEEKIEK---I----------QIKDEPAGFDCDVCGHPMVIKLGKYGKFYACSNFPDCRNTKPIVKEIGVTCPVCHEGQVIERKSKKNRLFYGCSRFPECEFTSWDKPVGRNCPKCDGYLVEKKVKGGKQVVCVNGDYEEDIQK 5D5H Chain:A ((19-673)) --------------------GRRLVIVESPTKARKLASYLGSGYIVESSRGHIRDLPRAASDVPAKYKSQPWARLGVNVDADFEPLYIISPEKRSTVSELRGLLKDVDELYLATDGDREGEAIAWHLLETLKPR-IPVKRMVFHEITEPAIRAAAEHPRDLDIDLVDAQETRRILDRLYGYEVSPVLWKKVAPKLSAGRVQSVATRIIVARERDRMAFRSAAYWDILAKLDASVSDPDAAPPTFSARLTAVAGRRVATGRDFDSLGTLRKGDEVIVLDEGSATALAAGLDGTQLTVASAEEKPYARRPYPPFMTSTLQQEASRKLRFSAERTMSIAQRLYE---------NGYITYMRTDSTTLSESAINAARTQARQLYGDEYVAPAPRQYTRKVKNAQEAHEAIRPAGETFATPDAVRRELDGPNIDDFRLYELIWQRTVASQMADARGMTLSLRITGMSGHQEVVFSATGRTLTFPGFLKAYVETVDELVGGEADDAERRLPHLTPGQRLDIVELTPDGHATNPPARYTEASLVKALEELGIGRPSTYSSIIKTIQDRGYVHKKGSALVPSWVAFAVTGLLEQHFGRLVDYDFTAAMEDELDEIAAGNERRTNWLNNFYFGGDHGVPDSVARSGGLKKLVGINLEGIDAREVNSIKL-FDDTHGRPIYVRVGKNGPYLERLVA-----------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5D5H.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 : 3099 123859 39.97 209.93 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : 39.97 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.426

(partial model without unconserved sides chains): PDB file : Tito_5D5H.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5D5H-query.scw PDB file : Tito_Scwrl_5D5H.pdb: