Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNLFDTLTLPNGSTIPNRLAKAAMEENMADAAQAPSERLMRLYQAWADGGAGLLISGNVMVDSRAMTGPGGVVLEDDAQLEKFRRWARIGRSAGAQFWLQINHPGRQMQANLGQQAWAPSAVPLELGGMSRHFATPKAMDEAMIAEVIQRFARSAGLAERAGFSGVEIHAAHGYLLSQFLSPLSNRRSDAWGGSLENRARLLLEIVRAVRAEVAPGFAVAVKLNSADFQRGGFSADDAREVVRMLDGLGVDLVELSGGSYEAPAMQGEARDGRTLAREAYFVEFARDIRAAARMPVMVTGGIRRRPVAEQVLASG-VDMVGIGTALAIEPNLPRDWRAGKDSAPQLRPITWRNKPLASLANMAAVKFQLRKLSRGRATNPRVSPLCALLAQQAGALLQTRRYRRLMRSRAEA |
3KRU Chain:A ((14-329)) | -------------TIKNRIMMSPMCMYSASTDGMPNDWHIVHYATRAIGGVGLIMQEATAVESRGRITDHDLGIWNDEQVKELKKIVDICKANGAVMGIQLAHAGRKCNISY-EDVVGPS--PIKAGD---RYKLPRELSVEEIKSIVKAFGEAAKRANLAGYDVVEIHAAHGYLIHEFLSPLSNKRKDEYGNSIENRARFLIEVIDEVRKNWPENKPIFVRVSADDYMEGGINIDMMVEYINMIKD-KVDLIDVSSGGLLNVDIN---------LYPGYQVKYAETIKKRCNIKTSAVGLITTQELAEEILSNERADLVALGRELLRNPYWVLHTYTSKEDWPK------------------------------------------------------------------- |
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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) -169316 for 2790 contacts (-60.7/contact) +
2D Compatibility (PS) -34682 + (NN) -22543 + (LL) 7108
1D Compatibility (HY) -22000 + (ID) 4700
Total energy: -246133.0 ( -88.22 by residue)
QMean score : 0.545
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