Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSTIRQVAEKAGVSTSTVSRYISQNGYVSQKASQKIEQAIRELHYVPNFLAQSLKTKKNQLVGLLLPDISNPFFPRLARGVEEFLKEQGYRVMLGNTNNKSHLEEEYLNVLLQSNAAGIITTHDFTKNHPEI---------DIPVVVVDRVNQETQY--GVFSDNKEGGKLAAQAIWTAGATNILLIRGPLDK---ADNLNQRFQGSQNYLLNKGARFAIEDSASFDFAEIQIEAKTLLDHHPDIDSIIAPSDIHAIAYLHEILNRGKRIPEDVQIIGYDDILMSQFIYPSLSTIHQSSYIMGQKAAELIF-KITNQLPITNKRIKLPVHYVERETLRRKIDE |
1WET Chain:A ((2-311)) | --TIKDVAKRANVSTTTVSHVINKTRFVAEETRNAVWAAIKELHYSPSAVARSLKVNHTKSIGLLATSSEAAYFAEIIEAVEKNCFQKGYTLILGNAWNNLEKQRAYLSMMAQKRVDGLLV---MCSEYPEPLLAMLEEYRHIPMVVMDWGEAKADFTDAVIDNAFEGGYMAGRYLIERGHREIGVIPGPLERNTGAGRLAGFMKAMEEAMIKVPESWIVQGDFEPESGYRAMQQILSQPHRP--TAVFCGGDIMAMGALCAADEMGLRVPQDVSLIGYDNVRNARYFTPALTTIHQPKDSLGETAFNMLLDRIVNKREEPQSIEVHPRLIERRSVADGPFRD |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 1WET.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -123456 for 2367 contacts (-52.2/contact) +
2D Compatibility (PS) -32373 + (NN) -18420 + (LL) 328
1D Compatibility (HY) -20000 + (ID) 4250
Total energy: -198171.0 ( -83.72 by residue)
QMean score : 0.541
|
|
|