Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQHKTIMDKIIIQGARENNLKNIFLEIPKNQFVVFTGLSGSGKSTLAFDTLYAEGQRRYLESLSSYARQFLDKVGKPNVDKIEGLTPAIAIDQKTTSKNPRSTVGTITEIYDYLRLLFARVGEQFCPTCLEPISSMSASDIISQICHLEENSKIIILAPIIKDKKGSFNDKLESLRLKGYVRAFVDGVMVRLDEEIHLHKTKKHTIEAVVDRVVINSENASRIASAVEKALKESYGELEVEILQDNAPSIRKHYSEHKACFKCKMSFEELEPLSFSFNSPKGACESCLGLGTKFSLDISKILDPNTPLNQGAIKVIFGYNRSYYAQMFEGFCTYNGIDSALCFNELNKEQQDALLYGNGTEISFHFKNSPLKRPWKGIIQIAYDMFKEQKDLSDYMSEKTCSSCNGHRLKASSLSVQVAGLKMADFLTKPIEEVYHFFNDPTHFNYLNEQEKKIAEPILKEILERVFFLYDVGLGYLTLGRDARTISGGESQRIRIASQIGSGLTGVLYVLDEPSIGLHEKDTLKLINTLRNLQKKGNTLIVVEHDKETIK-HADFVVDIGPKAGRHGGEVVFSGSVKDLLQNNHSTALYLNGTK------KIER---PKFEPPKEKHFLEIKNVNI----NNIKNLSVQIPLKQLVCITGVSGSGKSSLILQTLLPTAQTLLNHAKKNQSLNGVEIVGLEYLDKVIYLDQAPIGKTPRSNPATYTGVMDEIRILFAEQKEAKILGYSTSRFSFNVKGGRCEKCQGDGDIKIEMHFLPDVLVQCDSCKGAKYNPQTLEIKVKGKSIADVLNMSVEEAYEFFAKFPKIAVKLKTLIDVGLGYITLGQNATTLSGGEAQRIKLAKELSKKDTGKTLYILDEPTTGLHFEDVNHLLQVLHSLVA-LGNSMLVIEHNLDIIK-NADYIIDMGPDGGDKGGKVIASGTPLEVAQNCEKTQSYTGKFLALELK |
3BK7 Chain:A ((212-547)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VVKELELEN-VLDRELHQLSGGELQRVAIAAALLRKAH--FYFFDEPSSYLDIRQRLKVARVIRRLANEGKAVLVVEHDLAVLDYLSDVIHVVYGEPGVYGIFSKPKGTRNGI-N--EFLQGYLKDENVRFRPYEIRFTKLSERVDVERETLVEYPRLVKDYGSFKLEVEPGEIRKGEVIGIVGPNGIGKTTFVKMLAGVE----------------EPTEG------KVEWDLT-VAYKPQ-----------YIKAEY------------------------------------------------------------------EGTVYELLSKIDSS--KL-N---SNFYKTELLKPLGIIDL-YDRNVEDLSGGELQRVAIAATLLRD---ADIYLLDEPSAYLDVEQRLAVSRAIRHLMEKNEKTALVVEHDVLMIDYVSDRLIVFEGEPGRHGRALPPMGMREGMNRFLASVGITFRRDPDSGRP |
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General information:
TITO was launched using:
| RESULT:
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Template: 3BK7.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -95119 for 2389 contacts (-39.8/contact) +
2D Compatibility (PS) -34971 + (NN) -13674 + (LL) 37336
1D Compatibility (HY) -15600 + (ID) 3700
Total energy: -125728.0 ( -52.63 by residue)
QMean score : 0.393
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