Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSFDERKILRTNFSNQPMISGGQSCSSDTCNKKSDLYKDTRSDCDSNNSSAQVNNSTQILLDDLPPQKIVKELDRFIIGQDDAKRAVAIALRNRWRRNKVPLPLRDEIIPKNILMIGHTGVGKTEIARRLAKLAGAPFIKVEATKFTEIGYVGRDVDSITRDLVDAAIVLVKEKARKALAKKALNLAEKIIVNSMVGENATEESKKTYRERLRNKEFEDGEVSINVRESKSMLPTFDIPGMPGRQVGVVNVTELMGKMFNGGKKTKTITVKVKEAREILINEESERLMDEDKIIKEAIDLVSNEGIVFLDEIDKIAARTEVKG-EVNREGVQRDLLPLLEGTTVSTKYGYVKTDYILFIASGAFHLSKPSDLLPELQGRLPIRVELKALTQEDLIKILKEPESSLLKQYIALMKTENVTLEFTDDGIETIAEIAFTVNREVENIGARRLHTIMEKLLDEISFIASEKNGEKFVIDSKYVKDKLESISKQLDLSRFIL |
1G3I Chain:A ((2-444)) | -------------------------------------------------------------SEMTPREIVSELDQHIIGQADAKRAVAIALRNRWRRMQLQEPLRHEVTPKNILMIGPTGVGKTEIARRLAKLANAPFIKVEATKFTEV-------DSIIRDLTDSAMKLVRQQEIAKNR---------------------------------------------------------------------------------------------------IDDEAAKLINPEELKQKAIDAVEQNGIVFIDEIDKICKKG----ADVSREGVQRDLLPLVEGSTVSTKHGMVKTDHILFIASGAFQVARPSDLIPELQGRLPIRVELTALSAADFERILTEPHASLTEQYKALMATEGVNIAFTTDAVKKIAEAAFRVNEKTENIGARRLHTVMERLMDKISFSASDMNGQTVNIDAAYVADALGEVVENEDLSRFIL |
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General information:
TITO was launched using:
| RESULT:
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Template: 1G3I.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -189645 for 2604 contacts (-72.8/contact) +
2D Compatibility (PS) -34707 + (NN) -12158 + (LL) 9268
1D Compatibility (HY) -32000 + (ID) 10250
Total energy: -269492.0 ( -103.49 by residue)
QMean score : 0.617
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