Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPATQQMSRLVDSPDGVRIAVYHEGNPDGPTVVLVHGFPDSHVLWDGVVPLLAERFRIVRYDNRGVGRSSVPKPISAYTMAHFADDFDAVIGELSPGEPVHVLAHDWGSVGVWEYLRRPGASDRVASFTSVSGPSQDHLVNYVYGGLRRPWRPRTFLRAISQTLRLSYMALFSVPVVAPLLLRVALSSAAVRRNMVGDIPVDQIHHSETLARDAAHSVKTYPANYFRSFSSSRRGRAIPIVDVPVQLIVNSQDPYVRPYGYDQTARWVPRLWRRDIKAGHFSPMSHPQVMAAAVHDFADLADGKQPSRALLRAQVGRPRGYFGDTLVSVTGAGSGIGRETALAFAREGAEIVISDIDEATVKDTAA--EIAARGGIAYPYVLDVSDAEAVEAFAERVSAEHGVPDIVVNNAGIGQAGRFLDTPAEQFDRVLAVNLGGVVNGCRAFGQRLVERGTGGHIVNVSSMAAYAPLQSLSA-YCTSKAATYMFSDCLRAELDAAGVGLTTICPGVIDTNIVATTGFHAPGTDE-EKIDGRRG--QIDKMFALRSYG-----PDKVADAIVSAVKKKKPIRPVAPEAYALYGISRVLPQALRSTARLRVI |
4YAI Chain:A ((6-246)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TTAFITGGASGIGFGIAQRLLANGARLVLADIRQDHLDEARQFFEERQQGRNVHTIRLDVSDRAQMAEAARECEAVMGGPDILINNAGIDPSGPFKDATYQDWDYGLAINLMGPINGIMAFTPGMRARGRGGHIVNTASLAGLTPMPSFMAIYATAKAAVITLTETIRDSMAEDNIGVTVLMPGPIKSRI------HESGQNRPERFRAGSGLAETEQQLAKRVVADNWMEPTEVGDMIVDAIVHNK-------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 4YAI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -67833 for 1971 contacts (-34.4/contact) +
2D Compatibility (PS) -25051 + (NN) -12868 + (LL) 22232
1D Compatibility (HY) -11600 + (ID) 4100
Total energy: -99220.0 ( -50.34 by residue)
QMean score : 0.550
|
|
|