Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MQHKTIMDKIIIQGARENNLKNIFLEIPKNQFVVFTGLSGSGKSTLAFDTLYAEGQRRYLESLSSYARQFLDKVGKPNVDKIEGLTPAIAIDQKTTSKNPRSTVGTITEIYDYLRLLFARVGEQFCPTCLEPISSMSASDIISQICHLEENSKIIILAPIIKDKKGSFNDKLESLRLKGYVRAFVDGVMVRLDEEIHLHKTKKHTIEAVVDRVVINSENASRIASAVEKALKESYGELEVEILQDNAPSIRKHYSEHKACFKCKMSFEELEPLSFSFNSPKGACESCLGLGTKFSLDISKILDPNTPLN--QGAIKVIFGYNRSYYAQMFEGFCTYNGIDSALCFNELNKEQQDALLYGNGTE-ISFHFKN--SPLKRPW---KGII--------QIAYDMFKEQKDLSDYMSEKTCSSCNGHRLKASSLSVQVAGLKMADFLTKPIEEVYHFFNDPTHFNYLNEQEKKIAEPILKEILERVFFLYDVGLGYLTLGRDARTISGGESQRIRIASQIGSGLTGVLYVLDEPSIGLHEKDTLKLINTLRNLQKKGNTLIVVEHDKETIKHADFVVDIGPKAGRHGGEVVFSGSVKDLLQNNHS-TALYLNGTKKIERPKFEPPKEKHFLEIKNVNINNIKNLSVQIPLKQLVCITGVSGSGKSSLILQTLLPTAQTLLNHAKKNQSLNGVEIVGLEYLDKVIYLDQAPIGKTPRSNPATYTGVMDEIRILFAEQKEAKILGYSTSRFSFNVKGGRCEKCQGDGDIKIEMHFLPDVLVQCDSCKGAKYNPQTLEIKVKGKSIADVLNMSVEEAYEFFAKFPKIAVKLKTLIDVGLGYITLGQNATTLSGGEAQRIKLAKELSKKDTGKTLYILDEPTTGLHFEDVNHLLQVLHSLVALGNSMLVIEHNLDIIKNADYIIDMGPDGGDKGGKVIASGTPLEVAQNCEKTQSYTGKFLALELK |
| 3UWX Chain:A ((21-952)) | ------MDKIIVKGARAHNLKNIDVEIPRGKLVVLTGLSGSGKSSLAFDTIYAEGQRRYVESLSAYARQFLGQMEKPDVDAIEGLSPAISIDQKTTSRNPRSTVGTVTEIYDYLRLLFARIGRPICPTHGIEIQSQTIEQMVDRLLSYPERTKMQILAPIVSGKKGTHAKTLEDIRKQGYVRVRIDREMRELTGDIELEKNKKHSIDVVVDRIIIKDGIAARLADSLETALKLADGKVVVDVIGEG----ELLFSEKHACPYCGFSIGELEPRLFSFNSPFGACPDCDGLGAKLEVDLDLVI-PNDELTLKEHAIAPWEP----YYPQLLEAVCRHYGIPMDVPVKDLPKEQLDKILYGSGGEPIYFRYTNDFGQVREQYIAFEGVIPNVERRYRETSSDYIREQ--MEKYMAEQPCPTCQGYRLKKESLAVLVGGKHIGEVTAMSVTEALAFFDGLE----LTEKEAQIARLILREIRDRLGFLQNVGLDYLTLSRSAGTLSGGEAQRIRLATQIGSRLTGVLYVLDEPSIGLHQRDNDRLIATLKSMRDLGNTLIVVEHDEDTMLAADYLIDIGPGAGIHGGEVVAAGTPEEVMNDPNSLTGQYLSGKKFIPIPAERRRPDGRWLEVVGAREHNLKNVSVKIPLGTFVAVTGVSGSGKSTLVNEVLYKALAQKLHRAKAKPGEH-RDIRGLEHLDKVIDIDQSPIGRTPRSNPATYTGVFDDIRDVFASTNEAKVRGYKKGRFSFNVKGGRCEACHGDGIIKIEMHFLPDVYVPCEVCHGKRYNRETLEVTYKGKNIAEVLDMTVEDALDFFASIPKIKRKLETLYDVGLGYMKLGQPATTLSGGEAQRVKLAAELHRRSNGRTLYILDEPTTGLHVDDIARLLDVLHRLVDNGDTVLVIEHNLDVIKTADYIIDLGPEGGDRGGQIVAVGTPEEVA---EVKESHTGRYLKPILE |
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General information:
TITO was launched using:
| RESULT:
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Template: 3UWX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -397617 for 7597 contacts (-52.3/contact) +
2D Compatibility (PS) -99473 + (NN) -38399 + (LL) 980
1D Compatibility (HY) -92000 + (ID) 24950
Total energy: -651459.0 ( -85.75 by residue)
QMean score : 0.494
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