Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MDYEKALAFIKSNSTLEQEEGTEVIFKQAQETARGNLDPFLLKDLKQHLGGTNDAIKEAPQEIQMPDFSNLEIATAAALQMRATMGSPNID---LS-NGVTTEYRVVEGDYGDIPVRIYRHEEATKPVPAFIFYHGGGFVGGTPAVVENFCKGIAEKLPAVVINVDYHLAPEFPAPAAPKDCYRVLEWVVEQSNELGIDASKIGVSGDSAGGTLAAAVSYMDYEAETNYVGFQALLYPALTLVDEDNDKYQWDISKFGASEDTLPLVAPGIIGMNSSGELLRKAYVRDENPAAPIYSPLSAVDKSIYPPTLIASAEFDALRAFADVFAKELRASGVQTKAIVYQGMCHAFIDKYGIFPQAEDVADEIVQMMKEIF |
| 3WJ2 Chain:A ((27-308)) | ---------------------------------------------------------------------------IEPAMLRNFLDESSLSSRGAPVEIKEIKDYKIKLDGRTLNARMYDDNN---AKSAILYYHGGGFLFGNIETYDNYCRFLAKESGVKIISIEYRLAPEHKFPDAFNDAYDSFHYIAKKKKDFGIE-GRIGVAGDSAGANLAAALCLKCRDGKTEMPAVQVLFYPSLAPDNF-----SRSFIEYSDNY--------VLTG-K-MIRYFGNMYSKN---INPYFSPLVADDFSNLPPAIMVTNEYDPLRDPEETYVKKLREAGVRAVGIRGIGMIHGSATDFEVSDGARNIVKMVARIIPDYL |
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General information:
TITO was launched using:
| RESULT:
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Template: 3WJ2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -188478 for 2437 contacts (-77.3/contact) +
2D Compatibility (PS) -29043 + (NN) -9875 + (LL) 5992
1D Compatibility (HY) -13600 + (ID) 3500
Total energy: -238504.0 ( -97.87 by residue)
QMean score : 0.462
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