Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MRNDDMAVVVNGVRKTYG--KGKIVALDDVSFKVRRGEVIGLLGPNGAGKTTMVDILSTLTRPDAGSAIIAGYDV----VSEPAGVRRSIMVTGQQVAVDDALSGEQNLVLFGRLWGLSKSAARKRAAELLEQFSLVHAGKRRVGTYSGGMRRRIDIACGLVVQPQVAFLDEPTTGLDPRSRQAIWDLVASF-KKLGIATLLTTQYLEEADALSDRIILIDHGIIIAEGTANELKHRAGDTFCEIVPRDLKDLD---AIVAALGSLLPEHHRAMLTPDSDRITMPAPDGIRMLVEAARRIDEARIELADIALRRPSLDHVFLAMTTDPTESLTHLVSGSAR---- |
| 3TUZ Chain:H ((23-362)) | -----HMIKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKARRQIGMIFQHFNLLSSRTVFGNVALPLELDNTPKDEVKRRVTELLSLVGLGDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQDTVSEVFSHPKTPLAQKFIQSTLHLDIPEDYQERLQAEPFTDCVPMLRLEFTGQSVDAPLLSETARRFNVNNNIISAQMDYAGGVKFGIMLTEMHGTQQDTQAAIAWLQEHHVKVEV |
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General information:
TITO was launched using:
| RESULT:
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Template: 3TUZ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -169161 for 2523 contacts (-67.0/contact) +
2D Compatibility (PS) -34085 + (NN) -3904 + (LL) 76
1D Compatibility (HY) -12000 + (ID) 3600
Total energy: -222674.0 ( -88.26 by residue)
QMean score : 0.308
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