Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLFLPLYTSQVLDRVISSESVSTLTMLTIITLSAFACSAMLETCRYLAMAKIGDWIDKAVTPDLIVRSIRLTSVQSSASSGEAIRDLGVIKNFITGNSIFSLFDTPWSLIYLVVIFMIHTSTGFIATIGII---ILVSMAVWNE-----LATKRILQETN---EETIRNINAIDVATRNAEVVEAMGMSEFIVSDWCKRNDQNRAMQIKAQNRSNVITGITKFLRSTLQISVIGTGALLAITAHKTAGSIIAASILMGRVLAPFDAAVHTWKFLNQARMSYERLQRLILTSPKREQTMA--LPEPAGKLEFDRVFFTPYGSNKSTIKGVSFVIEPGDVVGVIGPSASGKSTIAKLTVGVWKPISGVVRLDGADVYTWNREIFGNYVGYLPQDIELFNTSVKANIARMRPDPNTEEIIKAAKIAGIHELILSLPNGYDTTIGNFGVTLSGGQKQLLGLARAFYGNTKLLVLDEPNANLDSNGEACLINAINVARKQNTTTIIITHKLPLLSLADKVILMSDGVIYTMGPRDEILSKLVASSSNTTEDEHSSVSG |
4Q4H Chain:B ((140-579)) | ----------------------------------------------------------------------------------VINDVDNINN-VLGNSIIQFFSGIVTLAGAVIMMFRVNVILSLVTLSIVPLTVLITQIVSSQTRKYFYENQRVLGQLNGIIEEDISGLTVIKLFTREEKEMEK----------FDRVNESLRKVGTKAQIFSGVLPPLMNMVNNLGFALISGFGGWLALKDIITVGTIATFIGYSRQFTRPLNELSNQFNMIQMALASAERIFEILDLEEEKDDPDAVELREVRGEIEFKNVWFS-YDKKKPVLKDITFHIKPGQKVALVGPTGSGKTTIVNLLMRFYDVDRGQILVDGIDIRKIKRSSLRSSIGIVLQDTILFSTTVKENLKYGNPGATDEEIKEAAKLTHSDHFIKHLPEGYETVLTDNGEDLSQGQRQLLAITRAFLANPKILILDEATSNVDTKTEKS-IQAAMWKLMEGKTSIIIAHRLNTIKNADLIIVLRDGEIVEMGKHDELIQKRGFYYELFTSQYG----- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4Q4H.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -201770 for 3058 contacts (-66.0/contact) +
2D Compatibility (PS) -45521 + (NN) -9881 + (LL) 8644
1D Compatibility (HY) -30000 + (ID) 6700
Total energy: -285228.0 ( -93.27 by residue)
QMean score : 0.402
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