Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | -------MNFQIVINNIQHIGYAELDVDLNASGIICIVGKNGVGKTTLIKAILNLKSADTFSRTASPGIFKANSSMRCTYGENSYEFSFDSDINDLNSRSPIPEELKSVIDVELPMPFGQRFNNYQNIMSADMDIRTALILGEYEVPVELISFLSDIYKTNKFNGLVEVSAKGGSYYCIPLDDDRYVREDHLSSGEFFLISLYRKIKGRSKFIVIDEIDISLDAAAQAHLIGWLRRFCTTEQVKVVFTTHSLALMRTLKDGELFYMEESEGKVSVIPSSYNYIKSVLFGFKGWDRYILTEDAMLKSLLEYVLANYCSGLFFSYQIIHVGGGSNVVDLMRQNSTEGFFSTPENVISVLDGDQAEYRYARRPNVYCIPFLSVEKAIFAEYKAGRFLPELAPDPRFDTPKNFCSAIGRDRHATEADIIKYLCDSYPTEVRRFAQTLSDFLS |
| 3TUZ Chain:H ((23-362)) | HMIKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKARRQIGMIFQH--FNLLSSRTVFGNVALPLELD-----NTPKDEVKRRVTELLSL-------------------------------------------VGLGDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICD-----------CVAVISNG-----------------ELIEQDTVSEVFSHPKTPLAQKFIQS--TLHLDIPEDYQERLQAEPFTDCVPMLRLEFTGQSVDAPLLSETARRFNVNNNIISAQMDYAGGVKFGIMLTEMHGT-----------------QQDTQAAIAWLQEHHVKVEV----------- |
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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) -162959 for 2558 contacts (-63.7/contact) +
2D Compatibility (PS) -35368 + (NN) -7272 + (LL) 6340
1D Compatibility (HY) -13600 + (ID) 2350
Total energy: -215209.0 ( -84.13 by residue)
QMean score : 0.253
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