Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKSKYEPLFDKVELPNGVELRNRFVLAPLTHISSNDDGTISDVELPYIEKRS-QDVGITINAASNVSDVGKAFPGQPSIAHDSDIEGLKRLATAMKKNGAKALVQIHHGGAQALPELIPDGDVVAPSPISLKSFGQKQEHSAREMTNEEIEQAIKDFGEATRRAIEAGFDGVEIHGANHYLIHQFVSPYYNRRNDVWA----NQYKFPVAVIEEVLKAKEAYGNKDFIVGYRLSPEEAESPGITMEITEELVNKISHMPIDYIHVS---MMDTHATTREG---KYAGQERLPLIHKWINGRMPLIGIGSIFTADEALDAVENVGVDLVAIGRELLLDYQFVEKIKDGREDEIINYFDPEREDNHHLTPNLWHQFNEGFYPLPRKDK |
3KRU Chain:A ((13-326)) | -----------------ITIKNRIMMSPMCMYSASTDGMPNDWHIVHYATRAIGGVGLIMQEATAVESRGRITDHDLGIWNDEQVKELKKIVDICKANGAVMGIQLAHAGRKCN---ISYEDVVGPSPIK----AGDRYKLPRELSVEEIKSIVKAFGEAAKRANLAGYDVVEIHAAHGYLIHEFLSPLSNKRKDEYGNSIENRARFLIEVIDEVRKNWPE--NKPIFV--RVSADDYMEGGINIDMMVEYINMIKD-KVDLIDVSSGGLLNVDINLYPGYQVKYA-----ETIKKRCNIKTSAVGL--ITTQELAEEILSNERADLVALGRELLRNPYWVLHTYTSKED------------------------------------ |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3KRU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -130103 for 2645 contacts (-49.2/contact) +
2D Compatibility (PS) -32672 + (NN) -15130 + (LL) 2840
1D Compatibility (HY) -20800 + (ID) 5350
Total energy: -201215.0 ( -76.07 by residue)
QMean score : 0.551
|
|
|