Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLFLPLYTSQVLDRVISSESVSTLTMLTIITLSAFACSAMLETCRYLAMAKIGDWIDKAVTPDLIVRSIRLTSVQSSASSGEAIRDLGVIKNFITGNSIFSLFDTPWSLIYLVVIFMIHTSTGFIATIGII---ILVSMAVWNE-----LATKRILQETN---EETIRNINAIDVATRNAEVVEAMGMSEFIVSDWCKRNDQNRAMQIKAQNRSNVITGITKFLRSTLQISVIGTGALLAITAHKTAGSIIAASILMGRVLAPFDAAVHTWKFLNQARMSYERLQRLILTSPKREQTMA--LPEPAGKLEFDRVFFTPYGSNKSTIKGVSFVIEPGDVVGVIGPSASGKSTIAKLTVGVWKPISGVVRLDGADVYTWNREIFGNYVGYLPQDIELFNTSVKANIARMRPDPNTEEIIKAAKIAGIHELILSLPNGYDTTIGNFGVTLSGGQKQLLGLARAFYGNTKLLVLDEPNANLDSNGEACLINAINVARKQNTTTIIITHKLPLLSLADKVILMSDGVIYTMGPRDEILSKLVASSSNTTEDEHSSVSG |
4Q4A Chain:B ((140-579)) | ----------------------------------------------------------------------------------VINDVDNINN-VLGNSIIQFFSGIVTLAGAVIMMFRVNVILSLVTLSIVPLTVLITQIVSSQTRKYFYENQRVLGQLNGIIEEDISGLTVIKLFTREEKEMEK----------FDRVNESLRKVGTKAQIFSGVLPPLMNMVNNLGFALISGFGGWLALKDIITVGTIATFIGYSRQFTRPLNELSNQFNMIQMALASAERIFEILDLEEEKDDPDAVELREVRGEIEFKNVWFS-YDKKKPVLKDITFHIKPGQKVALVGPTGSGKTTIVNLLMRFYDVDRGQILVDGIDIRKIKRSSLRSSIGIVLQDTILFSTTVKENLKYGNPGATDEEIKEAAKLTHSDHFIKHLPEGYETVLTDNGEDLSQGQRQLLAITRAFLANPKILILDEATSNVDTKTEKS-IQAAMWKLMEGKTSIIIAHRLNTIKNADLIIVLRDGEIVEMGKHDELIQKRGFYYELFTSQYGL---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4Q4A.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -196483 for 3003 contacts (-65.4/contact) +
2D Compatibility (PS) -46087 + (NN) -16252 + (LL) 8672
1D Compatibility (HY) -30000 + (ID) 6700
Total energy: -286850.0 ( -95.52 by residue)
QMean score : 0.424
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