Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MELESLFQDIMDGFAVYNNKVAVAVSGGIDSIVLLHLITSWAEKRQCPPPIALA-VNHGLRPESQEEVEFVVSYAKELGVK----KSFILNWKRQNIKGNVQSQARKARYELLTEWCKNNDVKHLFIAHHKDDQAETFLLRLERGSGLDGLSSMDYKSSLNGVCMLRPLLSFSRSRIKKYADFYRLKWVEDRSNQSLKYKRTLYRNLLKASGNQEILTERICLTTLHIKRATKALMHYTRLAFNDCVNVHDLGYIEIKLSEFYKLPEEIALRLLLYSIMVISSKHYKPRYNSLIAIFNKVLQKDNDVHCTLSGCKIRKYGESILIIRESSKIQEISVSLPLNAPIEWDNRFSCTILGNQECSVTIAPLKKTQKIPKFLKDYDCCPEVFYSLPVVLKDGKVLAYLHLNHDRKNINGDEVQCIINSTIKQNLVILAGI |
2E89 Chain:D ((26-206)) | -------------------RVLIAFSGGVDSVVLTDVLLKLKNYFSLKE-VALAHFNHMLRESAERDEEFCKEFAKERNMKIFVGKEDVRAFAKEN-RMSLEEAGRFLRYKFLKEILESEGFDCIATAHHLNDLLETSLLFFTRGTGLDGLIGFLPKEEV----IRRPLYYVKRSEIEEYAKFKGLRWVEDETNYEVSIPRNRIRHRVIPELKRINENLEDTFLKMVKVLRAEREFLEEEAQKLYKEVKKGNCLDVKKLKEKPLALQRRVIRKFIGEKDYEKVELVRSLLEKGGEVNLGKGKVLKRKERWLCF--------------------------------------------------------------------------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 2E89.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -71916 for 1272 contacts (-56.5/contact) +
2D Compatibility (PS) -18888 + (NN) -3248 + (LL) 12072
1D Compatibility (HY) -14400 + (ID) 3100
Total energy: -99480.0 ( -78.21 by residue)
QMean score : 0.483
|
|
|