Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSHAWKELTFYKKKYLLIELLIIVMMFMVVFLSGLANGLGRAVSAAIENNPAQTYILNEGAEQVITSSVLTTKDQTDLNSLNLKDSTTLNIQRSSLTRQGHEKKIDISYFAIDKDSFMAPTLSEGKQLTSYKKAIILNDSLKAEGIKLGDKVIDKSSSISLTVVGFVHNSMYGHGPVAFIDKDIYTEINKKINPQYQFLPQALVMKNDKSISHLPTQLEAVSKKDVIQHIPGYSAEQSTLNMILWVLVVASAGILGVFFYIITLQKRHEFS--VMKAIGTKMSEIALFQLSQVIILALFGIIVGDGLAIALSYVLPAQMPFVINWQNIILVSFVFLVIAMISSALSIVKVAKIDPVEVINGGGE |
4D1B Chain:A ((122-238)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TWLGALALDEITRLLTGFT------NLPLWIVIFGAIQVVTTFYGITFIRWMNVFASPVLLAMGVYM-----------VYLMLDGADVSLGEVMSMGGENPG-MPF-----STAIMIFVGGWIAVVVSIHDIVKECKVDPNASREGQTK |
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General information:
TITO was launched using:
| RESULT:
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Template: 4D1B.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -40719 for 534 contacts (-76.3/contact) +
2D Compatibility (PS) -11831 + (NN) -5029 + (LL) 17840
1D Compatibility (HY) -10000 + (ID) 1700
Total energy: -51439.0 ( -96.33 by residue)
QMean score : 0.074
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