Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MAQYVYTMHRVGKIVPP---KREILKDISLSFFPGAKIGVLGLNGAGKSTLLRIMAGVDTEIEGEARPMP--------------GINVGYLPQEPKLDPQATVRDIVEEAVGQIKQAQARLDEVYAAYAEPDADFDALAAEQAKLEAILQASDGHNLERQLEVAADALRLPPW-DAKVEHLSGGEKRRVALCRLLLSAPDMLLLDEPTNHLDADSVAWLEHFLHDF----PGTVVAITHDRYFLDNVAGWILELDRGHGIPFEGNYSGWLESKAARLAQEAKQEASHAKAMKAELEWVRQGAKGRQAKSKARLQRFEELQSQEFQKRSETNEIYIPAGPRLGDKVIELHNVTKGYGDRVLIDNLSLSIPKGAIVGVIGGNGAGKSTLFRMLTGKEQPDSGTIEIGETVQIASVDQSRDSLEGNKTVWEQVSDGFEQIKIGNYEVPSRSYVGRFNFKGADQQKFVKDLSGGERGRLHLALTLKQGGNVLLLDEPSNDLDVETLRALEEALLDFPGAAIVISHDRWFLDRIATHILSYEDDGKVTFFEGNYTEFEADRKKRLGDAASQPHRVRYKKLA |
| 3TUI Chain:C ((23-253)) | ---HMIKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKARRQIGMIFQHFNLLSSRTVFGNVALPLELDN------------------------------------TPKDEVKRRVTELLSLVGLGDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQ-DTVSEVFS----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3TUI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -132746 for 1711 contacts (-77.6/contact) +
2D Compatibility (PS) -22415 + (NN) -12360 + (LL) 23372
1D Compatibility (HY) -14000 + (ID) 2700
Total energy: -160849.0 ( -94.01 by residue)
QMean score : 0.531
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