Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MISSQIGSGIFML-PISLAPYGTYSLISWAVSGLGAILLALVFALLCAKFPETGGPHVYVKHAFGPTAAFFVGWTYWASSWV-SSTAVIVASIGYLAPLFHNNIQNIRLFLEIALILAIMLINLRGITTVGHVELLLMTVKITVLFAVPIAALLLFD-RNNF----V------V-SE---EISN-L--TISQAF---ARST-LLTLWCFIGLEIVTASAGSVENPSKTIPRAIVFGTVFVAIIYFINSLAIM---GLINGN----------HLANSKAPYADVIKIILPGNWYLIISIVAFIVSVSSLNAWFLADGQVALGLAKDKLMPQFFAKRNKYGAPFCGIIINTLGILALLVLISSKNFAKQVTSIIDVSVVSFLFVYLTCCLAFLKVIIQEKNYYKFLIGGMAVLFCCWIIYETPMNTLLIASLFPLSGTPTYLLWYRKPTK |
| 2XQ2 Chain:A ((62-385)) | --AANISAEQFIGMSGSGYSIGLAIASYEWMSAITLIIVGKYFLPIFIEK-GIYTIPEFVEKRFNKKLKTILAVFWISLYIFVNLTSVLYLGGLALETILGI--PLM-YSILGLALFALVYSIYGG---VVWTDVIQVFFLVLGGFMTTYMAVSFIGGTDGWFAGVSKMVDAAPGHFEMILDQSNPQYMNLPGIAVLIGGLWVANLYYWGFNQYIIQRTLAAKSV-SEAQKGIVFAAFLALIVPFLVVLPGIAAYVITSDPQLMASLGNLPSAANADKAYPWLT-QFLPVGVKGVVFAALAAAIVSSLASMLNSTATIFT---MDIYKEYISPDSGDHKLVNVGRTAAVVALIIAALIAPMLGGIGQCFQYIQEYTGLVSPGILAVFLLGLFWKKTTSKGAIIGVVASIPFALFLKFMPLSMPFMDQMLYTLLFTMVVIAFTSLSTSI |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 2XQ2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -205844 for 2045 contacts (-100.7/contact) +
2D Compatibility (PS) -28698 + (NN) -5030 + (LL) 988
1D Compatibility (HY) -12400 + (ID) 1700
Total energy: -252684.0 ( -123.56 by residue)
QMean score : 0.288
|
|
|