Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSSALSIRQLTKTYGNG---FQALKGIDLDVAEGDFFALLGPNGAGKSTTIGILSTLVNKTSGSVSVFGHDL----DKDPAGLKRCLGVVPQEFNFNQFEKVFDIVVTQAGYYGIPAKIAKERAERYLTQLGLWDKRNEASRMLSGGMKRRLMIARALVHQPRLLILDEPTAGVDIELRRSMWSFLTELNQE-GISIILTTHYLEEAEQLCRNIAIIDHGEIVQNTSMRDLLMTLHSETFLLDLKNVQALPPTLDGYPTRLVD-----DHTLEVQVEKSQGINDLFAQLGAQ-GIEVLSLRNKTNRLEELFVSLVEKNLTRIAR------------------ |
| 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) -173615 for 2370 contacts (-73.3/contact) +
2D Compatibility (PS) -32572 + (NN) -3768 + (LL) 180
1D Compatibility (HY) -16400 + (ID) 3750
Total energy: -229925.0 ( -97.01 by residue)
QMean score : 0.456
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