Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDESPEPLQQGRGPVPVRRQRPAPRGLREMLKARLWCSCSCSVLCVRALVQDLLPATRWLRQYRPREYLAGDVMSGLVIGIILVPQAIAYSLLAGLQPIYSLYTSFFANLIYFLMGTSRHVSVGIFSLLCLMVGQVVDRELQLAGFDPSQDGLQPGANSSTLNGSAAMLDCGRDCYAIRVATALTLMTGLYQVLMGVLRLGFVSAYLSQPLLDGFAMGASVTILTSQLKHLLGVRIPRHQGPGMVVLTWLSLLRGAGQANVCDVVTSTVCLAVLLAAKELSDRYRHRLRVPLPTELLVIVVATLVSHFGQLHKRFGSSVAGDIPTGFMPPQVPEPRLMQRVALDAVALALVAAAFSISLAEMFARSHGYSVRANQELLAVGCCNVLPAFLHCFATSAALAKSLVKTATGCRTQLSSVVSATVVLLVLLALAPLFHDLQRSVLACVIVVSLRGALRKVWDLPRLWRMSPADALVWAGTAATCMLVSTEAGLLAGVILSLLSLAGRTQRPRTALLARIGDTAFYEDATEFEGLVPEPGVRVFRFGGPLYYANKDFFLQSLYSLTGLDAG-CMAARRKEGGSETGVGEGGPAQGEDLGPVSTRAALV-PAAAGFHTVVIDCAPLLFL-DAAGVSTLQD-LRRDYGALGISLLLACCSPPVRDILSRGGFLGEGPGDTAEEEQLFLSVHDAVQTARARHRELEATDAHL |
3MGL Chain:A ((2-129)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NAEMSYELAQHGRSTLPRELAVYALEGPFFFAAAETFERVMGSIQETPQILILRLKWVPFMDITGIQTLEEMI-QSFHKRGIKVLISGANSRVSQKLVKAGIVKLV-----GEQNVYPVFEGALSAALTEIEAQ------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3MGL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -41437 for 864 contacts (-48.0/contact) +
2D Compatibility (PS) -12873 + (NN) -1912 + (LL) 44840
1D Compatibility (HY) -4800 + (ID) 850
Total energy: -17032.0 ( -19.71 by residue)
QMean score : 0.304
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