Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKSKYEPLFDKVELPNGVELRNRFVLAPLTHISSNDDGTISDVELPYIEKRS-QDVGITINAASNVSDVGKAFPGQPSIAHDSDIEGLKRLATAMKKNGAKALVQIHHGGAQALPELIPDGDVVAPSPISLKSFGQKQEHSAREMTNEEIEQAIKDFGEATRRAIEAGFDGVEIHGANHYLIHQFVSPYYNRRNDVWA----NQYKFPVAVIEEVLKAKEAYGNKDFIVGYRLSPEEAESPGITMEITEELVNKISHMPIDYIHVS---MMDTHATTREG---KYAGQERLPLIHKWINGRMPLIGIGSIFTADEALDAVENVGVDLVAIGRELLLDYQFVEKIKDGREDEIINYFDPEREDNHHLTPNLWHQFNEGFYPLPRKDK |
3KRZ Chain:B ((13-326)) | -----------------ITIKNRIMMSPMCMYSASTDGMPNDWHIVHYATRAIGGVGLIMQEATAVESRGRITDHDLGIWNDEQVKELKKIVDICKANGAVMGIQLAHAGRKCN---ISYEDVVGPSPIK----AGDRYKLPRELSVEEIKSIVKAFGEAAKRANLAGYDVVEIHAAHGYLIHEFLSPLSNKRKDEYGNSIENRARFLIEVIDEVRKNWPE--NKPIFV--RVSADDYMEGGINIDMMVEYINMIKD-KVDLIDVSSGGLLNVDINLYPGYQVKYA-----ETIKKRCNIKTSAVGL--ITTQELAEEILSNERADLVALGRELLRNPYWVLHTYTSKED------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3KRZ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -129644 for 2640 contacts (-49.1/contact) +
2D Compatibility (PS) -32587 + (NN) -13755 + (LL) 2840
1D Compatibility (HY) -20800 + (ID) 5350
Total energy: -199296.0 ( -75.49 by residue)
QMean score : 0.530
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