Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MYRYKPLLQSIHLPNGIK---ISNRFVLSPMTVNASTKEGYITKADLA-YAARRSNSAGMQVTGAAYIEPYGKLFEYGFNIDHDACIPGLTNMASTMKQHGSLAIIQLAHAGRFSNQAILNFGKVYGPSPMTLHS----PIEHVVIAMSHEKINSIIQQYRDATLRAIKAGFDGVEISIAQRLLIQTFFSTFSNRRTDHYGADSLKNRARLCLEVMRAVQEVIDKEAPDNFILGFRATPEETRGSDLGYTIDEFNQLIDWVMDVSNIQYLAIASWGRHIYQNTSRTPGDHFGRPVNQIVY-EHLAGR--IPLIASGGINSPESALDAL--QHADMVGMSSPFVTEPDFVHKLAEQRPHDINLEFSMADLEDLAIPHAAFKDIVKMMDYGEGLKKHTRDALRQLEQNYHDSSS |
3KRU Chain:A ((4-317)) | ----------LHMPLKIKDITIKNRIMMSPMCMYSASTDGMPNDWHIVHYATRAIGGVGLIMQEATAVESRGRITDHDLGIWNDEQVKELKKIVDICKANGAVMGIQLAHAGRKCN---ISYEDVVGPSPIKAGDRYKLPRE-----LSVEEIKSIVKAFGEAAKRANLAGYDVVEIHAAHGYLIHEFLSPLSNKRKDEYG-NSIENRARFLIEVIDEVR----KNWPENKPIFVRVSADDY--MEGGINIDMMVEYINMIKD--KVDLIDVSS-GGLLNVDINLYPG-------YQVKYAETIKKRCNIKTSAVGLITTQELAEEILSNERADLVALGRELLRNPYWV--------------------------------------------------------------- |
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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) -192124 for 2691 contacts (-71.4/contact) +
2D Compatibility (PS) -31941 + (NN) -8970 + (LL) 7316
1D Compatibility (HY) -22800 + (ID) 5050
Total energy: -253569.0 ( -94.23 by residue)
QMean score : 0.480
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