Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MAKEKFNRTNPHVNIGTIGHVYHGKTTLSAAISAVLSLKGLAEMKDYDNIDNAPQEKERGITIATSHIEYETETRHYAHVDCPGHADYVKNMITGAAQMDGAILVVSAADGPMPQTREHILLSRQVGVPHIVVFLNKQDMVDDQELLELVEMEVRELLSAYEFPGDDTPIVAGSALRALEEAKAGNVGEWGEKVLKLMAEVDSYIPTPERDTEKTFLMPVEDVFSIAGRGTVVTGRIERGVVKVGDEVEIVGIRATQKTTVTGVEMFRKELEKGEAGDNVGVLLRGTKKEEVERGMVLCKPGSITPHKKFEEEIYVLSKEEGGRHTPFFTNYRPQFYVRTTDVTGSITLPEGVEMVMPGDNVKITVELISPVALELGTKFAIREGGRTVGAGVVSNIIE |
| 4IW3 Chain:B ((46-433)) | ---------LPHVNVGTIGHVDHGKTTLTAALTRVCSEVFGS------KIDSAPEEKARGITINTAHVEYNSTIRHYAHVDCPGHADYVKNMITGAAQMDGAILVCSAADGPMPQTREHILLSRQVGVPYIVVFLNKADLV--AELLELVEMEVRDLLSTYDFPGDDTPIIIGSARMALEGKDDNEMGTTAVK--KLVETLDSYIPEPVRAIDQPFLMPIEDVFSISGRGTVVTGRIERGIVRVQDPLEIVGLRDTTTTTCTGVEMFRKLLDEGRAGENCGVLLRGTKRDDVERGQVLVKPGSVKPHTKFTAEVYVLSKEEGGRHTPFFKGYRPQFYFRTTDVTGNCELPEGVEMVMPGDNIQMTVTLIKTIAMEDGLRFAIREGGRTVGAGVVAKIIE |
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General information:
TITO was launched using:
| RESULT:
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Template: 4IW3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -173991 for 3117 contacts (-55.8/contact) +
2D Compatibility (PS) -41521 + (NN) -15704 + (LL) 1320
1D Compatibility (HY) -45200 + (ID) 13700
Total energy: -288796.0 ( -92.65 by residue)
QMean score : 0.581
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