Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MLQTINLTQRYAT----KKLFENVNIKLDKNKRYGLIGANGAGKSTFLKILSKSIDCSSGEVIITS--------------GMRMGVLGQDQYAFEDLSLKDAVLIGNRRLYDAIKEKERLYTEGDLSDDKVNARLGELETICVEEDPMYECEVVIEKILEDLGIPSSKHNDLMKTLPSSDKFKILLAQVLFPKPDILLLDEPTNNLDLNAIEWLENNLKRH----EGTMVVISHDRHFLNAVCTHILDLDFHSVREFSGNYDDWYIASTLIAKQQEAERNKKLKEKEELEKFIARFSANASKAKQATSRQKQLDKLDIQSLAISSRRDPSIIFKPKRTIGNEALECENISKSYDDQIVLNQVSLKVMPKDKIALIGPNGVGKSTLCKILVEELKPDTGVVKWGATVLKGYFPQNVSEEISGEETLYQWLFNFNKKIESAEVRNALGRMLFNGEEQEKCVNALSGGEKHRMVLSKLMLEGGNFLVLDEPTNHLDLEAIIALGEALFKFDGALICVSHDRELIDAYANRIIELVPSPKGASIIDFKGSYEEYLASKK |
| 3TUI Chain:C ((24-252)) | MIKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKARRQIGMIFQHFNLLSSRTVFGNVALPLELD-NT--------------------------------P-KDEVKRRVTELLSLVGLGD-KHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQ-DTVSEVFSHPKTPLAQKFIQSTLHLDIPEDYQERLQAEPFTDCVPMLRLEFTGQSVDAPLLSETARRFNVNNNIISAQMDYAGGVKFGIMLTEMHGTQQDTQAAIAWLQEHHVKVEVLGYV-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3TUI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -135520 for 1699 contacts (-79.8/contact) +
2D Compatibility (PS) -22401 + (NN) -13093 + (LL) 15112
1D Compatibility (HY) -13200 + (ID) 2200
Total energy: -171302.0 ( -100.83 by residue)
QMean score : 0.482
|
|
|