Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MATSRYEPVAEIGVGAYGTVYKARDPHSGHFVALKSVRVPNGGGGGGGLPISTVREVALLRRLEAFEHPNVVRLMDVCATSRTDREIKVTLVFEHVDQDLRTYLDKAPPPGLPAETIKDLMRQFLRGLDFLHANCIVHRDLKPENILVTSGGTVKLADFGLARIYSYQMALTPVVVTLWYRAPEVLLQST-YATPVDMWSVGCIFAEMFRRKPLFCGNSEADQLGKIFDLIGLPPEDDWPRDVSLP-----RGAFPPRGPRPVQSVVPEMEESGAQLLLEMLTFNPHKRISAFRALQHSYLHKDEGNPE |
2B9H Chain:A ((10-312)) | --SSDFQLKSLLGEGAYGVVCSATHKPTGEIVAIKKIEPFD-KPL---FALRTLREIKILKHFK---HENIITIFNIQRPDSFENFNEVYIIQELMQTDLHRVISTQ---MLSDDHIQYFIYQTLRAVKVLHGSNVIHRDLKPSNLLINSNCDLKVCDFGLARIID-----VEFVATRWYRAPEVMLTSAKYSRAMDVWSCGCILAELFLRRPIFPGRDYRHQLLLIFGIIGTPHSDNDLRCIESPRAREYIKSLPMYPAAPLEKMFPRVNPKGIDLLQRMLVFDPAKRITAKEALEHPYLQTYHDPND |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 2B9H.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -167641 for 2181 contacts (-76.9/contact) +
2D Compatibility (PS) -30022 + (NN) -18830 + (LL) 364
1D Compatibility (HY) -28400 + (ID) 5000
Total energy: -249529.0 ( -114.41 by residue)
QMean score : 0.531
|
|
|