Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAQYVYTMHRVGKIVPPKREILKDISLSFFPGAKIGVLGLNGAGKSTLLRIMAGVDTEIEGEARPMP---------GINVGYLPQEPKLDPQATVRDIVEEAVGQIKQAQARLDEVYAAYAEPDADFDALAAEQAKLEAILQASDGHNLERQLEVAADALRLPPW-DAKVEHLSGGEKRRVALCRLLLSAPDMLLLDEPTNHLDADSVAWLEHFLHDF----PGTVVAITHDRYFLDNVAGWILELDRGHGIPFEGNYSGWLESKAARLAQEAKQEASHAKAMKAELEWVRQGAKGRQAKSKARLQRFEELQSQEFQKRSETNEIYIPAGPRLGDKVIELHNVTKGYGDRVLIDNLSLSIPKGAIVGVIGGNGAGKSTLFRMLTGKEQPDSGTIEIGETVQIASVDQSRDSLEGNKTVWEQVSDGFEQIKIGNYEVPSRSYVGRFNFKGADQQKFVKDLSGGERGRLHLALTLKQGGNVLLLDEPSNDLDVETLRALEEALLDFPGAAIVISHDRWFLDRIATHILSYEDDGKVTFFEGNYTEFEADRKKRLGDAASQPHRVRYKKLA |
2YYZ Chain:A ((2-222)) | ---PSIRVVNLKKYF-GKVKAVDGVSFEVKDGEFVALLGPSGCGKTTTLLMLAGIYKPTSGEIYFDDVLVNDIPPKYREVGMVFQNYALYPHMTVFENIAFPLRARR------------------------------------ISKDEVEKRVVEIARKLLIDNLLDRKPTQLSGGQQQRVALARALVKQPKVLLFDEPLSNLDANLRMIMRAEIKHLQQELGITSVYVTHDQAEAMTMASRIAVFNQGKLVQY-GTPDEVY------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 2YYZ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -127248 for 1607 contacts (-79.2/contact) +
2D Compatibility (PS) -22658 + (NN) -15713 + (LL) 23336
1D Compatibility (HY) -10800 + (ID) 2750
Total energy: -155833.0 ( -96.97 by residue)
QMean score : 0.451
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