Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MHSKPPWLRAKAPTGEIFNETLNTVKLHGLHTVCEEAACPNIGECWNKRHATVMILGSVCTRACAFCNVATGIPNKLDPHEPENLAKAI-KKLNLKYVVITSVDRDDLPDGGASQFIKCIEEIRKI--TPETTVEILTPDFLNKKGAFEAIAVASPDVYNHNIEMV-PRLYARIRP--RARYFHSLYLLKMVKQINPKLLTKSGLMVGL---GETKEEVLQVMDDLRSAEVDFITIGQYLQPTPKHAKIDRYVTPEEFEHYKYIAYSKGFLVVASSPLTRSSYHAEEDFNRLKACR |
3BLE Chain:A ((36-188)) | --------------------------------------------------------------------------VSFSTSEKLNIAKFLLQKLNVDRVEIASARVSKG---ELETVQKIMEWAATEQLTERIEILGFVDG----NKTVDWIKDSGAKVLNLLTKGSLHHLEKQLGKTPKEFFTDVSFVIEYAIK--SGLKINVYLEDWSNGFRNSPDYVKSLVEHLSKEHIERIFLPDTLGVLSPEETFQGVDSLIQKYPDIHFEFHGHNDYDLSVANSLQAIRAGVKGLHASING |
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General information:
TITO was launched using:
| RESULT:
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Template: 3BLE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -54718 for 1075 contacts (-50.9/contact) +
2D Compatibility (PS) -15340 + (NN) -6170 + (LL) 4764
1D Compatibility (HY) -4000 + (ID) 1100
Total energy: -76564.0 ( -71.22 by residue)
QMean score : 0.447
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