Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MQHKTIMDKIIIQGARENNLKNIFLEIPKNQFVVFTGLSGSGKSTLAFDTLYAEGQRRYLESLSSYARQFLDKVGKPNVDKIEGLTPAIAIDQKTTSKNPRSTVGTITEIYDYLRLLFARVGEQFCPTCLEPISSMSASDIISQICHLEENSKIIILAPIIKDKKGSFNDKLESLRLKGYVRAFVDGVMVRLDEEIHLHKTKKHTIEAVVDRVVINSENASRIASAVEKALKESYGELEVEILQDNAPSIRKHYSEHKACFKCKMSFEELEPLSFSFNSPKGACESCLGLGTKFSLDISKIL-DPNTPLNQGAIKVIFGYNRSYYAQMFEGFCTYNGIDSALCFNELNKEQQDALLYGNGTEI-SFHF-----KNSPLKRPWKGIIQIAYDMFKE------QKDLSDYMSEKTCSSCNGHRLKASSLSVQVAGLKMADFLTKPIEEVYHFFNDPTHFNYLNEQEKKIAEPILKEILERVFFLYDVGLGYLTLGRDARTISGGESQRIRIASQIGSGLTGVLYVLDEPSIGLHEKDTLKLINTLRNLQKKGNTLIVVEHDKETIKHADFVVDIGPKAGRHGGEVVFSGSVKDLLQNN-HSTALYLNGTKKIERPKFEPPKEKHFLEIKNVNINNIKNLSVQIPLKQLVCITGVSGSGKSSLILQTLLPTAQTLLNHAKKNQSLNGVEIVGLEYLDKVIYLDQAPIGKTPRSNPATYTGVMDEIRILFAEQKEAKILGYSTSRFSFNVKGGRCEKCQGDGDIKIEMHFLPDVLVQCDSCKGAKYNPQTLEIKVKGKSIADVLNMSVEEAYEFFAKFPKIAVKLKTLIDVGLGYITLGQNATTLSGGEAQRIKLAKELSKKDTGKTLYILDEPTTGLHFEDVNHLLQVLHSLVALGNSMLVIEHNLDIIKNADYIIDMGPDGGDKGGKVIASGTPLEVAQNCEKTQSYTGKFLALELK |
| 2R6F Chain:A ((21-956)) | ------MDKIIVKGARAHNLKNIDVEIPRGKLVVLTGLSGSGKSSLAFDTIYAEGQRRYVESLSAYARQFLGQMEKPDVDAIEGLSPAISIDQKTTSRNPRSTVGTVTEIYDYLRLLFARIGRPICPTHGIEIQSQTIEQMVDRLLSYPERTKMQILAP----------------------------------------------IDVVVDRIIIKDGIAARLADSLETALKLADGKVVVDVIG----EGELLFSEKHACPYCGFSIGELEPRLFSFNSPFGACPDCDGLGAKLEVDLDLVIPNDELTLKEHAIAPWEP----YYPQLLEAVCRHYGIPMDVPVKDLPKEQLDKILYGSGGEPIYFRYTNDFGQVREQYIAFEGVIPNVERRYRETSSDYIREQMEKYMAEQPCPTCQGYRLKKESLAVLVGGKHIGEVTAMSVTEALAFFDGLEL----TEKEAQIARLILREIRDRLGFLQNVGLDYLTLSRSAGTLSGGEAQRIRLATQIGSRLTGVLYVLDEPSIGLHQRDNDRLIATLKSMRDLGNTLIVVEHDEDTMLAADYLIDIGPGAGIHGGEVVAAGTPEEVMNDPNSLTGQYLSGKKFIPIPAERRRPDGRWLEVVGAREHNLKNVSVKIPLGTFVAVTGVSGSGKSTLVNEVLYKALAQKLHRA-KAKPGEHRDIRGLEHLDKVIDIDQSPIGRTPRSNPATYTGVFDDIRDVFASTNEAKVRGYKKGRFSFNVKGGRCEACHGDGIIKIEMHFLPDVYVPCEVCHGKRYNRETLEVTYKGKNIAEVLDMTVEDALDFFASIPKIKRKLETLYDVGLGYMKLGQPATTLSGGEAQRVKLAAELHRRSNGRTLYILDEPTTGLHVDDIARLLDVLHRLVDNGDTVLVIEHNLDVIKTADYIIDLGPEGGDRGGQIVAVGTPEEVAEV---KESHTGRYLKPILE |
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General information:
TITO was launched using:
| RESULT:
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Template: 2R6F.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -416489 for 7413 contacts (-56.2/contact) +
2D Compatibility (PS) -94981 + (NN) -36026 + (LL) 4604
1D Compatibility (HY) -86400 + (ID) 23550
Total energy: -652842.0 ( -88.07 by residue)
QMean score : 0.495
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