Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTYALEIKGLRKIYSTG---VEALRGVDLTVEEGDFYALLGPNGAGKSTTIGIITSLVNKTSGQVSVFGYDLDT----DIVRAKQQIGLVPQEFNFNPFETVQQIVVNQAGYYGVSRKEAIKRSEKYLKQSNLWEKRSERARMLSGGMKRRLMIARALMHEPKLLILDEPTAGVDIELRREMWTFLRELNES-GTTIILTTHYLEEAEMLCRNIGIIQSGELIENTSMKSLLSKLQFETFIFDLEPYEEAFEITGYNHVFEDKQTLSVEVERNQGVNHIFEQLSEHGIKVLSMRNKSNRLEELFLKITEEKHQVGEKHV |
3TUI Chain:C ((23-253)) | --HMIKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKARRQIGMIFQHFNLLSSRTVFGNVALPLELDNTPKDEVKRRVTELLSLVGLGDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQDTVSEVFS-------------------------------------------------------------------------------------- |
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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) -131984 for 1845 contacts (-71.5/contact) +
2D Compatibility (PS) -24495 + (NN) -7593 + (LL) 7336
1D Compatibility (HY) -16400 + (ID) 3700
Total energy: -176836.0 ( -95.85 by residue)
QMean score : 0.533
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