Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMDKRIFVEKKADFQVKSESLVRELQHNLGLSSLKSIRIVQVYDVFDLAEDLFAPAEKHIFSEQGTDHVLDEVSVQADLANYAFFAIESLPGQFDQRAASSQEALLLLGSSSDVTVNTAQLYLVNKDIDATELEAVKNYLLNPVDSRFKDITTGIAKQEFSESDKTIPKLTFFESYTAEDFARYKAEQGMAMEVDDLLFIQDYFKSIGRVPTETELKVLDTYWSDHCRHTTFETEL----KHIDFSASKFQKQLQSTYDKYIAMREELGRSEKPQTLMDMATIFGRY--ERANGRLDDMEVSDEINACSVEIEVDVDGVKEPWLLMFKNETHNHPTEIEPFGGAATCIGGAIRD---------PLSGR-SYVYQAMRISGAGDITAPISETRAGKLPQQVISKT-----AAHGYSSYGNQIGLA--TTYVREYFHPGFVAKRMELGA----VVGAAPKGNVVREKPEAGDVI-----ILLGGKTGRDGVGGATGSSKVQTVESVETAGAEVQKGNAIEERKIQ----RLFRNGNVTRLIKKSNDFGAGGVCVAIGELAD----GLEIDLNKVPLKYQGLNGTEIAISESQERMAVVVRPEDVDTFVAECNKENIDAVVVATVTEKPNLVMHWN--GETIVDLERRFLDINGVRVVVDAKVVDKDVKLPEERQTSAETLESDTLTVLSDLNHASQKG-LQTIFDCSVGRSTVNHPLGGRYQLTPTEASVQKLPVQHGVTHTASVIAQGFNPYVAEWSPYHGAAYAVIEATARLVAA----------GANWSKARFSYQEYFERMDKQAERFGQPVAALLGSIEAQIQLGLPSIGGKDSMS--------GTFEELTVPPTLV--AFGVTTADSRKVLSPEF----------------KAVG----ENIYYIPGQALSAEIDFDLIKKNFAQFEASQADHKVTSASAVKYGGVVESLALATFGNYIGAEVTLP-----ELKTALTAQLGGFVFTSPEEIAGVEK-------------IGQTKAD--FTLTVNGVKLDGHKLDSAFQGTLEEVYPTEFTQAKELEEVPAVA----------SDVVIKAK------EKVEKPVVYIPVFP--------GTNSEYDSAKAFEKEGAEVNLVPFVTLNEEAIVKSVETMVDNIDKTNILFFAGGFSAADEPDGSAKFIVNILLNEKVRVAIDSFIAR-GGLIIGICNGFQALVK-SGLLPYGNFEDANNTSPTLFYNDANQHVAKMVETRIANTNSPWLAGVQVGDIHAIPVSHGEGKFVVTAE-EFAELRDNGQIFSQYVDFNGKPSMDSKYNPNGSVHAIEGITSKNGQIIGKMGHSERYEDGLFQNIPGNKDQHLFASAVKHFTGK 3UGJ Chain:A ((187-1271)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GLALAEDEIDYLQEAFTKLGRNPNDIELYMFAQANSEHCRHKIFNADWIIDGKPQPKSLFKMIKNTFETTPDYV-----LSAYKDNAAVMEGSAV-GRYFADHNTGRYDFHQ--------------------EPAHILMKVETHNHPTAISPWPGAATGSGGEIRDEGATGRGAKPKAGLVGFSVSNLRIPG---FEQPWEED-FGK-PERIVTALDIMTEGPLGGAAFNNEFGRPALTGYFRTYEEKVNSHNGEELRGYHKPIMLAGGIGNIRADHVQKGEIVVGAKLIVLGGPAMNIGL-----------------DFASVQRDNPEMERRCQEVIDRCWQLGDANPIL-FIHDVGAGGLSNAMPELVSDGGRGGKFELRDILSDEPGMSPLEIWCNESQERYVLAVAADQLPLFDELCKRERAPYAVIGDATEEQHLSLHDNHFDNQPIDLPLDVLLGKTPKMTRDVQT----LKAKGDALNRADITIADAVKRVLHLPTVAEKTFLVTIGDRTVTGMVARDQMVGPWQVPVADCAVTTASLD---SYYGEAMSIGERAPVALLDFAASARLAVGEALTNIAATQIGDIKRIKLSANWMAAAGHPGEDAGLYDA--------VKAVGEELCPQLGLTIPV--GKDSMSMKTRWQEG--QREMTSPLSLVISAF-ARVEDVRHTLTPQLSTEDNALLLIDLGKGHNALGATALAQVYRQLGDKPADVRDVAQLKGFYDAMQALVAARKLLAWHDRSDGGLLVTLAEMAFAGHCGVQVDIAALGDDHLAALFNEELGGVIQVRAEDRDAVEALLAQYGLADCVHYLGQALAGDRFVITAN-----DQTVFSESRTTLRVWWAETTWQMQRLRDNPQCADQEHEAKANDTDPGLNVKLSFDINEDIAAPYIATGARPKVAVLREQGVNSHVEMAAAFHRAGFDAIDVHMSDLLGGRI---------GLGNFHALVACGGFSYGDVLGAGEGWAKSILFNHRVRDEFETFFHRPQTLALGVCNGCQMMSNLRELIP------GSELWPRFVRNHSDRFEARFSLVEVTQSPSLLLQGM-VGSQMPIAVSHGEGRVEVRDDAHLAALESKGLVALRYVDNFGKVTETYPANPNGSPNGITAVTTENGRVTIMMPHPER----------------------------

General information: TITO was launched using: RESULT: Template: 3UGJ.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 : 6188 153277 24.77 163.76 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : 24.77 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.334

(partial model without unconserved sides chains): PDB file : Tito_3UGJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3UGJ-query.scw PDB file : Tito_Scwrl_3UGJ.pdb: