Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSFDERKILRTNFSNQPMISGGQSCSSDTCNKKSDLYKDTRSDCDSNNSSAQVNNSTQILLDDLPPQKIVKELDRFIIGQDDAKRAVAIALRNRWRRNKVPLPLRDEIIPKNILMIGHTGVGKTEIARRLAKLAGAPFIKVEATKFTEIGYVGRDVDSITRDLVDAAIVLVKEKARKALAKKALNLAEKIIVNSMVGENATEESKKTYRERLRNKEFEDGEVSINVRESKSMLPTFDIPGMPGRQVGVVNVTELMGKMFNGGKKTKTITVKVKEAREILINEESERLMDEDKIIKEAIDLVSNEGIVFLDEIDKIAARTEVKG-EVNREGVQRDLLPLLEGTTVSTKYGYVKTDYILFIASGAFHLSKPSDLLPELQGRLPIRVELKALTQEDLIKILKEPESSLLKQYIALMKTENVTLEFTDDGIETIAEIAFTVNREVENIGARRLHTIMEKLLDEISFIASEKNGEKFVIDSKYVKDKLESISKQLDLSRFIL |
1G41 Chain:A ((2-444)) | -------------------------------------------------------------SEMTPREIVSELDQHIIGQADAKRAVAIALRNRWRRMQLQEPLRHEVTPKNILMIGPTGVGKTEIARRLAKLANAPFIKVEATKFT----VGKEVDSIIRDLTDSAMKLVRQQEIAKNR--------------------------------------------------------------------------------------------------LIDDEAAKLINPEELKQKAIDAVEQNGIVFIDEIDKICKKGEYSGADVSREGVQRDLLPLVEGSTVSTKHGMVKTDHILFIASGAFQVARPSDLIPELQGRLPIRVELTALSAADFERILTEPHASLTEQYKALMATEGVNIAFTTDAVKKIAEAAFRVNEKTENIGARRLHTVMERLMDKISFSASDMNGQTVNIDAAYVADALGEVVENEDLSRFIL |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 1G41.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -193619 for 2665 contacts (-72.7/contact) +
2D Compatibility (PS) -35746 + (NN) -11957 + (LL) 8976
1D Compatibility (HY) -33200 + (ID) 10500
Total energy: -276046.0 ( -103.58 by residue)
QMean score : 0.646
|
|
|