Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAFEGLAGRLQETMNKIRGKGKVNEADVKEMMREVRLALLEADVNFKVVKQFIKTVSERAVGADVMKSLTPGQQVIKIVQEELTSLMGGEESKIGTADRPPTVIMMVGLQGAGKTTTSGKLANLLRKKYNRKPLLVAADIYRPAAIKQLETLGKQLDMPVFSLGDQVSPVEIAKQAIAKAKEEHLDYVIIDTAGRLHIDETLMDELKQVKEIATPTEILLVVDSMTGQDAVNVAQSFNEQLEITGVVLTKLDGDTRGGAALSIRSVTGKPIKFIATGEKMEALETFHPDRMASRILGMGDVLSLIEKAQTDVDTEKMKAMEQKMKDNSMTLDDFLEQLQQVKQMGPLDELLKMMPGANKMKGLDNMNVDDKQLGHIEAIIKSMTKNEKDNPDIINASRRKRIARGSGRPVQEINRLLKQFAEMKKMMKQMTGGGKGKKGKNPFGNFKMPF |
3NG1 Chain:B ((2-294)) | --FQQLSARLQEAIGRLRGRGRITEEDLKATLREIRRALMDADVNLEVARDFVERVREEALGKQVLESLTPAEVILATVYEALKEALGGEARLPVLKDR--NLWFLVGLQGSGKTTTAAKLA-LYYKGKGRRPLLVAADTQRPAAREQLRLLGEKVGVPVLEVMDGESPESIRRRVEEKARLEARDLILVDTAGRLQIDEPLMGELARLKEVLGPDEVLLVLDAMTGQEALSVARAFDEKVGVTGLVLTKLDGDARGGAALSARHVTGKPIYFAGVSEKPEGLEPFYPERLAGRILGM-------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NG1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -173326 for 2531 contacts (-68.5/contact) +
2D Compatibility (PS) -31987 + (NN) -14481 + (LL) 9068
1D Compatibility (HY) -26000 + (ID) 7500
Total energy: -244226.0 ( -96.49 by residue)
QMean score : 0.654
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