Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSHAWKELTFYKKKYLLIELLIIVMMFMVVFLSGLANGLGRAVSAAIENNPAQTYILNEGAEQVITSSVLTTKDQTDLNSLNLKDSTTLNIQRSSLTRQGHEKKIDISYFAIDKDSFMAPTLSEGKQLTSYKKAIILNDSLKAEGIKLGDKVIDKSSSISLTVVGFVHNSMYGHGPVAFIDKDIYTEINKKINPQYQFLPQALVMKNDKSISHLPTQLEAVSKKDVIQHIPGYSAEQSTLNMILWVLVVASAGILGVFFYIITLQKRHEFS--VMKAIGTKMSEIALFQLSQVIILALFGIIVGDGLAIALSYVLPAQMPFVINWQNIILVSFVFLVIAMISSALSIVKVAKIDPVEVINGGGE |
4D1A 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: 4D1A.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -40333 for 538 contacts (-75.0/contact) +
2D Compatibility (PS) -11843 + (NN) -4951 + (LL) 17840
1D Compatibility (HY) -10000 + (ID) 1700
Total energy: -50987.0 ( -94.77 by residue)
QMean score : 0.089
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