Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAEVLVLVEHAEGALKKVSAELITAARALGEPAAVVVGVPGTAAPLV--DGLKAAGAAKIYVAESDLVDKYLITPAVDVLAGLAESSAPAGVLIAATADGKEIAGRLAARIGSGLLVDVVDVREGGVGVHSIFGGAFTVEAQANGDTPVITVRAGAVEAEPAAGAGEQVSVEVPAAAENAARITAR--EPAVAGDRPELTEATIVVAGGRGVGSAENFSVVEALADSLGAAVGASRAAVDSGYYPGQFQVGQTGKTVSPQLYIALGISGAIQHRAGMQTSKTIVAVNKDEEAPIFEIADYGVVGDLFKVAPQLTEAIKARKG |
2A1U Chain:A ((23-333)) | ----LVIAEHANDSLAPITLNTITAATRLGGEVSCLVA--GTKCDKVAQDLCKVAGIAKVLVAQHDVYKGLLPEELTPLILATQKQFNYTHICAGASAFGKNLLPRVAAKLEVAPISDIIAIKSPDTFVRTIYAGNALCTVKCDEKVKVFSVRGTSFDA--AATSGGSASSE-KASSTSPVEISEWLDQKLTKSDRPELTGAKVVVSGGRGLKSGENFKLLYDLADQLHAAVGASRAAVDAGFVPNDMQVGQTGKIVAPELYIAVGISGAIQHLAGMKDSKTIVAINKDPEAPIFQVADYGIVADLFKVVPEMTEILKKK-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2A1U.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -202401 for 2659 contacts (-76.1/contact) +
2D Compatibility (PS) -33190 + (NN) -11553 + (LL) 748
1D Compatibility (HY) -25200 + (ID) 6700
Total energy: -278296.0 ( -104.66 by residue)
QMean score : 0.563
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