Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSAIRYELIKTDKQTGARLGKIHTPHGTFDTPMFMPVGTLATVKTMSPEELKAMGAGIILSNTYHLWLRPGEELIREAGGLHKFMNWDQPILTDSGGFQVFSLSKMRDIKEEGVHFRNHLNGDKLFLSPEKAIQIQNALGSDIMMSFDECPPYPASHEYMKKSVERTSRWAERGLKA----HVRPEDQGLFGIVQGGAYEDLRAQSAKDLVSLDFPGYSIGGLSVGEPKDVMNRVLEHTTPLLPANKPRYLMGVGSPDSLIDGVIRGVDMFDCVLPTRIARNGTCMTSSGRLVIKNAKFTHDFRPIDENCDCYTCKNYSRAYIRHLIRCEETFGIRLTTYHNLHFLLNLMKQVRGAIMEDRLADFREEFFEQYGFNRPDAKNF |
4GKT Chain:A ((13-381)) | ----RFSFSIAAREGKARTGTIEMKRGVIRTPAFMPVG--ATVKALKPETVRATGADIILGNTYHLMLRPGAERIAKLGGLHSFMGWDRPILTDSGGYQ-------TKQSEEGVTF---------MLSPERSIEIQHLLGSDIVMAFDECTPYPATPSRAASSMERSMRWAKRSRDAFDSRKEQAENAALFGIQQGSVFENLRQQSADALAEIGFDGYAVGGLAVGEGQDEMFRVLDFSVPMLPDDKPHYLMGVGKPDDIVGAVERGIDMFDCVLPTRSGRNGQAFTWDGPINIRNARFSEDLKPLDSECHCAVCQKWSRAYIHHLIRAGEILGAMLMTEHNIAFYQQLMQKIRDSISEGRFSQFAQDFRARY---------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 4GKT.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -188775 for 3127 contacts (-60.4/contact) +
2D Compatibility (PS) -37929 + (NN) -19410 + (LL) 1648
1D Compatibility (HY) -29200 + (ID) 9050
Total energy: -282716.0 ( -90.41 by residue)
QMean score : 0.541
|
|
|