Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MLRRMGDASLTTELGRVLVTGGAGFVGANLVTTLLDRGHWVRSFDRAPSLLPA--HPQLEVLQGDITDADVCAAAVDGIDTIFHTAAIIELMGGASVTDEYRQRSFAVNVGGTENLLHAGQRAGVQRFVYTSSNSVVMGGQNI----AGGDETLPYTDRFNDLYTETKVVAERFVLAQNGVDGMLTCAIRPSGIWGNGDQT------MFRKLFESVLKG-HVKVLVGRKSARLDNSYVHNLIHGFILAAAHLVPDGTAPGQAYFINDAEPINMFEFARPVLEACGQRWPKMRISGPAVRWVMTGWQRLHFRFGFPAPLLEPLAVERLYLDNYFSIAKARRDLGYEPLFTTQQALTECLPYYVSLFEQMKNEARAEKTAATVKP |
| 2C5A Chain:A ((25-349)) | ---------WPSENLKISITGAGGFIASHIARRLKHEGHYVIASDWKKNEHMTEDMFCDEFHLVDLRVMENCLKVTEGVDHVFNLAADMGGMGFI---QSNHSVIMYNNTMISFNMIEAARINGIKRFFYASSACIYPEFKQLETTNVSLKESDAWPAEPQDAFGLEKLATEELCKHYNKDFGIECRIGRFHNIYGPFGTWKGGREKAPAAFCRKAQTSTDRFEMWGDGLQTRSFTFIDECVEGVLRLTKS------DFREPVNIGSDEMVSMNEMAEMVLSFEEKKLPI--HHIP--G-----------------PE--------GVRGRNSDNNLIKEKLGWAPNMRLKEGLRITYFWIKEQIEKEKAKG----------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2C5A.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -138680 for 2768 contacts (-50.1/contact) +
2D Compatibility (PS) -33356 + (NN) -16550 + (LL) 4688
1D Compatibility (HY) -5200 + (ID) 2800
Total energy: -191898.0 ( -69.33 by residue)
QMean score : 0.454
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