Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNDNEKRVLREIYNHHNISRTQISKNLEINKATISSILNKLKYKSLVNEVGEGDSTKSGGRKPILLKVNHLYGYFISLDLTYSSVEVMYNYFDGNVIKHESYDLPDEKVSSILSIIKK-HIDIQEKLDTYNGLLGVSVSIHGVVDNEQHV-TY-LPFHETEGISIAKKIKEITNVPVVVENEANLSALYERNFNHNLSYNNLIALSIHKGIGAGLIINNQLYRGANGEAGEIGKTLVSKVSDNVEIFHKIEDIFSQEALLHNLSNQLNE-KMTLSKLIQFYNEKNPVVVEEMEQFINKIAVLIHNLNTQFNPNAIYINCPLFNEMPEILEAIKNQFKQYSR------NEIQIKLTSNVKFATLLGGTLAIIQKVLQINDIYLDIKA |
2GUP Chain:A ((4-290)) | ------------------------------------------------------------------------MTIATIDIGGTGIKFASLTPDGKILDKTSISTPE-NL----EDLLAWLDQRL----SEQDYSGIAMSVPGAVNQETGVIDGFSAVPYIHGFSWYEALS-SYQLPVHLENDANCVGLSELLAHP--ELENAACVVIGTGIGGAMIINGRLHRGRHGLGGEFGYMTTLAPAE---KLNNWSQLASTGNMVRYVIEKSGHTDWDGRKIYQEAAAGNILCQEAIERMNRNLAQGLLNIQYLIDPGVISLGGSISQN-PDFIQGVKKAVEDFVDAYEEYTVAPVIQACTYHADANLYGALVNWLQEEK----------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2GUP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -183117 for 2304 contacts (-79.5/contact) +
2D Compatibility (PS) -29458 + (NN) -10472 + (LL) 6536
1D Compatibility (HY) -8000 + (ID) 2650
Total energy: -227161.0 ( -98.59 by residue)
QMean score : 0.445
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