Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKANQLIAAIFDVNNTFMQGCNVVFDLALLNLLFMITCLPLVTIGAAKISLYRTLWQKLEGDQTNLLILYIKHLKKEWFQGMLLGLVELSILVVIIFDLTILHYQIGFIVSFLKITCYAFLLLTVMTSIYLFPMAARYEMSLLDTVKKSFIMACLNLKWTGVLMFLLIMTWFIMVQSSLLFMLTVSAIFIFAYTAFAYFKIIILQKQFAYFSKQQGDYQ |
3ESH Chain:A ((143-172)) | ----------------------------------------------APNIRSKSTYWDKNKGDYSNKLILFEKHFEPVPGIKMQHSGGHSFGHTIITIESQGDKAVHMGDIFPTTAHKNPLWVTAYDDYPMQSIREKERMIPYFIQQQYWFLFYHDENYFAVKYSDDGENIDAYILRETLV--------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3ESH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -3468 for 98 contacts (-35.4/contact) +
2D Compatibility (PS) -2917 + (NN) 1724 + (LL) 8728
1D Compatibility (HY) -1200 + (ID) 650
Total energy: 2217.0 ( 22.62 by residue)
QMean score : -0.105
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