Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MEKNIDVLQNWLKDQGAEVGFLTDPENIAYFSGYH-SEPHERVLGLAVFSDSEPFLFTPALEVEDVRGGDWTHPAYGYNDTENPFTIIADEIKKRVANPSKFAIEKKHMSVDRYEQLGGLFSGSSFIPIEHKIEQIRLIKTEAELKILKEAALLADYAVQVGVDEIAEGKTEAEIVAKIEYEMKKKGVTAMSFDTMVLTGKNGALPHGTPGETKIKKGDLVLFDLGVVHKGYCSDITRTVAFGDISDEQKKIYDTVLEAQIAAVEKVKAGVKASEIDLTARNIIREAGFGDYFPHRLGHGLGASVHEFPSITETNSMELQENMVFTIEPGIYVPGVAGVRIEDDLVVTKDGVQVLTEFPKTLQVIE |
1WN1 Chain:A ((1-356)) | --MRLEKFIHLLGERGFDGALISPGTNLYYLTGLRLHEVGERLAILAVSAEGDYRFLAPSLYENVVN----NFPATFWHDGENPYAKLREILEELGISKGRILIED-TMRADWLIGIMKL-GKFTFQPLSSLIKELRMIKDKEEVKMMEHASRIADKVFEEILTWDLIGMKERELALKIELLIREL-SDGIAFEPIVASGENAANPHHEPGERKIRKGDIIILDYGARWKGYCSDITRTIGLGELDERLVKIYEVVKDAQESAFKAVREGIKAKDVDSRAREVISKAGYGEYFIHRTGHGLGLDVHEEPYIGPDGEVILKNGMTFTIEPGIYVPGLGGVRIEDDIVVDEGKGRRLTKAERELIIL- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1WN1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -151800 for 3052 contacts (-49.7/contact) +
2D Compatibility (PS) -38955 + (NN) -19483 + (LL) 176
1D Compatibility (HY) -24800 + (ID) 6350
Total energy: -241212.0 ( -79.03 by residue)
QMean score : 0.545
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