Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MNLQSIIKELQDFWIGEGCTILHPYTSEVGAGTLHPATIMSAIDVKPTKIAYLQPVVRPADGRYGDNPNRLYQHHQYQVII-----KP-SGNNLQDVYLSSLRALGISTEKYDIKFIED----DWENPSVGASGLGWEVTC--------------NGMEVTQLTYIQ-QIG-SINCRIIPGEVAYGLERLAMCIQGVNNVYDIIWNDNGITYGDIFKQREYELSYLALDYYNTEVVQQQFEDTEKLCKFLIEKELPVAAYDQCVKTSHLLNLLDARGILGVNERTAYIGRVRELTKKCCELYMSK |
| 2DU3 Chain:A ((202-341)) | -------------------------------------------LPLPIKLFSIDRCFRREQGEDA------TRLYTYFSASCVLVDEELSVDDGKAVAEALLRQFGFE----NFRFRKDEKRSKYYIP-----DTQTEVFAFHPKLVGSSTKYSDGWIEIATFGIYSPTALAEYDIPYPVMNLGLGVERLAMILYGYDDVRKMVYPQIHGEIKLSDLDIAREIKVKEVPQTAVGLKIAQSIVETAEKHASEPSPCSFLAFEGEMMGRNVRVYVVEEEENTKLCGPAYANEVVVYKGDIYGIPKTK |
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General information:
TITO was launched using:
| RESULT:
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Template: 2DU3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -53619 for 676 contacts (-79.3/contact) +
2D Compatibility (PS) -12648 + (NN) -2480 + (LL) 3428
1D Compatibility (HY) -5200 + (ID) 1150
Total energy: -71669.0 ( -106.02 by residue)
QMean score : 0.336
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