Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAFYFEEPSRTFSEFLLVPGYSSAECVPTNVSLKTPIVKFKKGEESAITMNIPLVSAIMQAVSDDNMGIALATEGGVSFIFGSQSIESEAAMVSRVKNHKAGFVISDSNISPDKTLQDILDLKEKTGHSTVAVTEDGTAHGKLLGIVTSRDYRVTRMSPDEKVADFMTPFEKLVTANKSTTLKEANNIIWDNKLNALPLVDDNEHLVHMVFRKDYDSNKENKLELLDSSKRYVVGAGINTRDYEERVPALVEAGADILCIDSSEGYSEWQKRTLDYVRGKYGDTVKVGAGNVVDRDGFRYLAEAGADFVKVGVGGGSICITREQKGIGRGQATALIDVAKARDEYFEETGVYIPICSDGGIVYDYHMTLALAMGADFIMLGRYFSRFDESPTNKVNLNGTYMKEYWGEGANRAR-NWQRYDLGGDKKLSFEEGVDSYVPYAGSLKDNVAISLSKVRSTMCNCGALNIPELQQKAKITLVSSTSIVEGGAHDV-VVKDASNNLIK |
4QNE Chain:B ((110-362)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EERVKALVEAGVDVLLIDSSHGHSEGVLQRIRETRAAYPHLEIIG-GNVATAEGARALIEAGVSAVKVGIGPGSICTTRIVTGVGVPQITAIADAAGVANEYG------IPVIADGGIRFSGDISKAIAAGASCVMVGSMFAGTEEAPGEVILYQGRSYKAYRGMGSLGAMS-----------LVP--EGIEGRIAYKGHLKEIIHQQMGGLRSCMGLTGSATVEDLRTKAQFVRISGAGMKESHVHDVQITKEAPN---- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 4QNE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -59820 for 1774 contacts (-33.7/contact) +
2D Compatibility (PS) -25540 + (NN) -9156 + (LL) 16504
1D Compatibility (HY) -10000 + (ID) 4650
Total energy: -92662.0 ( -52.23 by residue)
QMean score : 0.379
|
|
|