Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQHKTIMDKIIIQGARENNLKNIFLEIPKNQFVVFTGLSGSGKSTLAFDTLYAEGQRRYLESLSSYARQFLDKVGKPNVDKIEGLTPAIAIDQKTTSKNPRSTVGTITEIYDYLRLLFARVGEQFCPTCLEPISSMSASDIISQICHLEENSKIIILAPIIKDKKGSFNDKLESLRLKGYVRAFVDGVMVRLDEEIHLHKTKKHTIEAVVDRVVINSENASRIASAVEKALKESYGELEVEILQDNAPSIRKHYSEHKACFKC-KMSFEELEPLSFSFNSPKGACESCLGLGTKFSLDISKIL-DPNTPLNQGAIKVIF-GYNRSYYAQMFEGFCTYNGIDSALCFNELNKEQQDALLYGNGTEISFHFKNS-----PLKRPWKGII--------QIAYDMFKEQKDLSDYMSEKTCSSCNGHRLKASSLSVQVAGLKMADFLTKPIEEVYH--------FFNDPTHFNYLNEQEKKIAEPILKEILERVFFLYDVGLGYLTLGRDARTISGGESQRIRIASQIGSGLTGVLYVLDEPSIGLHEKDTLKLINTLRNLQKKGNTLIVVEHDKETIKHADFVVDIGPKAGRHGGEVVFSGSVKDLLQNNHS-TALYLNGTKKIERPKFEPPKE-KHFLEIKNVNINNIKNLSVQIPLKQLVCITGVSGSGKSSLILQTLLPTAQTLLNHAKKNQSLNGVEIVGLEYLDKVIYLDQAPIGKTPRSNPATYTGVMDEIRILFAEQKEAKILGYSTSRFSFNVKGGRCEKCQGDGDIKIEMHFLPDVLVQCDSCKGAKYNPQTLEIKVKGKSIADVLNMSVEEAYEFFAKFPKIAVKLKTLIDVGLGYITLGQNATTLSGGEAQRIKLAKELSKKDTGKTLYILDEPTTGLHFEDVNHLLQVLHSLVALGNSMLVIEHNLDIIKNADYIIDMGPDGGDKGGKVIASGTPLEVAQNCEKTQSYTGKFLALELK |
3ZQJ Chain:C ((23-971)) | ------ADRLIVKGAREHNLRSVDLDLPRDALIVFTGLSGSGKSSLAFDTIFAEGQRRYVESLSAYARQFLGQMDKPDVDFIEGLSPAVSIDQKSTNRNPRSTVGTITEVYDYLRLLYARAGTPHCPTCGERVARQTPQQIVDQVLAMP------VLAPVVRTRKGEFADLFDKLNAQGYSRVRVDGVVHPLTDPPKLKKQEKHDIEVV----------KRRLTDSVETALNLADGIVV------------------LACPNGHALAVDDLEPRSFSFNSPYGACPECSGLGIRKEVDPELVVP---------AVAPWSNGHTAEYFTRMMAGLGEALG------------KARKAILEGADEQVHVRYRNRYGRTRSYYADFEGVLAFLQRKMSQTESEQMKERYE--GFMRDVPCPVCAGTRLKPEILAVTLAG-----HGAKSIAEVCELSIADCADFLNALT----LGPREQAIAGQVLKEIRSRLGFLLDVGLEYLSLSRAAATLSGGEAQRIRLATQIGSGLVGVLYVLDEPSIGLHQRDNRRLIETLTRLRDLGNTLIVVEHDEDTIEHADWIVDIGPGAGEHGGRIVHSGPYDELLRNKDSITGAYLSGRESIEIPAIRRSVDPRRQLTVVGAREHNLRGIDVSFPLGVLTSVTGVSGSGKSTLVNDILAAVLANRLNGARQVPGRH-TRVTGLDYLDKLVRVDQSPIGRTPRSNPATYTGVFDKIRTLFAATTEAKVRGYQPGRFSFNVKGGRCEACTGDGTIKIEMNFLPDVYVPCEVCQGARYNRETLEVHYKGKTVSEVLDMSIEEAAEFFEPIAGVHRYLRTLVDVGLGYVRLGQPAPTLSGGEAQRVKLASELQKRSTGRTVYILDEPTTGLHFDDIRKLLNVINGLVDKGNTVIVIEHNLDVIKTSDWIIDLGPEGGAGGGTVVAQGTPEDVAA---VPASYTGKFLAEVV- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3ZQJ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -315031 for 7222 contacts (-43.6/contact) +
2D Compatibility (PS) -92630 + (NN) -28936 + (LL) 4508
1D Compatibility (HY) -80800 + (ID) 22500
Total energy: -535389.0 ( -74.13 by residue)
QMean score : 0.430
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