Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKSKYEPLFDKVELPNGVELRNRFVLAPLTHISSNDDGTISDVELPYIEKRSQ-DVGITINAASNVSDVGKAFPGQPSIAHDSDIEGLKRLATAMKKNGAKALVQIHHGGAQALPELIPDGDVVAPSPISLKSFGQKQEHSAREMTNEEIEQAIKDFGEATRRAIEAGFDGVEIHGANHYLIHQFVSPYYNRRNDVWAN----QYKFPVAVIEEVLKAKEAYGNKDFIVGYRLSPEEAESPGITMEITEELVNKISHMPIDYIHVSMMDTHATTREGKYAG-QE-RLPLIHKWINGRMPLIGIGSIFTADEALDAVENVGVDLVAIGRELLLDYQFVEKIKDGREDEIINYFDPEREDNHHLTPNLWHQFNEGFYPLPRKDK |
3KRU Chain:A ((2-329)) | -----SILHMPLKI-KDITIKNRIMMSPMCMYSASTDGMPNDWHIVHYATRAIGGVGLIMQEATAVESRGRITDHDLGIWNDEQVKELKKIVDICKANGAVMGIQLAHAGRKCNISY---EDVVGPSPIKAG----DRYKLPRELSVEEIKSIVKAFGEAAKRANLAGYDVVEIHAAHGYLIHEFLSPLSNKRKDEYGNSIENRARFLIEVIDEVRKNW----PENKPIFVRVSADDYMEGGINIDMMVEYINMIK-DKVDLIDVSSGGLLNVDIN-LYPGYQVKYAETIKKRC--NIKTSAVGLITTQELAEEILSNERADLVALGRELLRNPYWVLHTYTSKEDWPK--------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3KRU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -124972 for 2872 contacts (-43.5/contact) +
2D Compatibility (PS) -34640 + (NN) -16264 + (LL) 1016
1D Compatibility (HY) -16800 + (ID) 5100
Total energy: -196760.0 ( -68.51 by residue)
QMean score : 0.590
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