Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRGIILAGGSGTRLYPITMGISKQLLPVYDKPMIYYPLTTLMMAGIRDIQLITTPHDAPGFHRLLGDGAHLGVNISYATQDQPDGLAQAFVIGANHIGADSVALVLGDNIFYGPGLGTSLKR-FQSISGGAIFAYWVANPSAYGVVEFGAEGMALSLEEKPVTPKSNYAVPGLYFYDNDVIEIARGLKKSARGEYEITEVNQVYLNQGRLAVEVLARGTAWLDTGTFDSLLDAADFVRTLERRQGLKVSIPEEVAWRMGWIDDEQLVQRARALVKSGYGNYLLELLERN |
3PKP Chain:A ((5-290)) | -KGIILAGGSGTRLYPVTMAVSKQLLPIYDKPMIYYPLSTLMLAGIRDILIISTPQDTPRFQQLLGDGSQWGLNLQYKVSPSPDGLAQAFIIGEEFIGHDDCALVLGDNIFYGHDLPKLMEAAVNKESGATVFAYHVNDPERYGVVEFDQKGTAVSLEEKPLQPKSNYAVTGLYFYDNSVVEMAKNLKPSARGELEITDINRIYMEQGRLSVAMMGRGYAWLDTGTHQSLIEASNFIATIEERQGLKVSCPEEIAFRKNFINAQQVIELAGPLSKNDYGKYLLKMVK-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PKP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -217005 for 2364 contacts (-91.8/contact) +
2D Compatibility (PS) -30507 + (NN) -10773 + (LL) 228
1D Compatibility (HY) -37600 + (ID) 8600
Total energy: -304257.0 ( -128.70 by residue)
QMean score : 0.521
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