Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAAPSPSGGGGSGGGSGSGTPGPVGSPAPGHPAVSSMQGKRKALKLNFANPPFKSTARFTLNPNPTGVQNPHIERLRTHSIESSGKLKISPEQHWDFTAEDLKDLGEIGRGAYGSVNKMVHKPSGQIMAVKRIRSTVDEKEQKQLLMDLDVVMRSSDCPYIVQFYGALFREGDCWICMELM-STSFDKFYKYVYSVLDDVIPEEILGKITLATVKALNHLKENLKIIHRDIKPSNILLDRSGNIKLCDFGISGQLVDSIAKTRDAGCRPYMAPERIDPSASRQGYDVRSDVWSLGITLYELATGRFPYPKWNSVFDQLTQVVKGDPPQLSNSEEREFSPSFINFVNLCLTKDESKRPKYKELLKHPFILMYEERAVEVACYVCKILDQMPATPSSPMYVD |
4AOT Chain:A ((15-279)) | ----------------------------------------------------------------------------------------LDPNEVWEI-------VGELGDGAFGKVYKAKNKETGALAAAKVI-ETKSEEELEDYIVEIEI-LATCDHPYIVKLLGAYYHDGKLWIMIEFCPGGAVDA----IMLELDRGLTEPQIQVVCRQMLEALNFLHSK-RIIHRDLKAGNVLMTLEGDIRLADFGVSA------------GTPYWMAPEVVM-------YDYKADIWSLGITLIEMAQIEPPHHELNPM-RVLLKIAKSDPPTLLTPS--KWSVEFRDFLKIALDKNPETRPSAAQLLEHPFVSSITSNKALRELVAEAKAEV------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 4AOT.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -128126 for 1925 contacts (-66.6/contact) +
2D Compatibility (PS) -26230 + (NN) -21643 + (LL) 4512
1D Compatibility (HY) -23200 + (ID) 4450
Total energy: -199137.0 ( -103.45 by residue)
QMean score : 0.475
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