Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTKGILGRKVGMTQVFTENGELIPVTVIEAAQNVVLQKKTVETDGYEAVQIGFEDKRAILSNKPEQGHVAKANTTPKRFIREFRDVNLDEYEIGAEVKVDVFAEGDIIDATGVSKGKGFQGVIKRHGQSRGPMAHGS-RYHRRPGSMGPV-APNRVFKNKLLPGRMGGEQITIQNLEIVKVDVEKNVLLVKGNVPGAKKALVQIKTATKAK |
4IOA Chain:B ((2-199)) | --KGILGTKIGMTQIW-KNDRAIPVTVVLAGPCPIVQRKTAQTDGYEAVQIGYAPKAERKVNKPMQGHFAKAGVAPTRILREFRGFAPD----GDSVNVDIFAEGEKIDATGTSKGKGTQGVMKRWNFAGGPASHGSKKWHRRPGSIGQRKTPGRVYKGKRMAGHMGMERVTVQNLEVVEIRAGENLILVKGAIPGANGGLVVLR------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 4IOA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -12676 for 1297 contacts (-9.8/contact) +
2D Compatibility (PS) -20359 + (NN) 2725 + (LL) 1336
1D Compatibility (HY) -14000 + (ID) 5350
Total energy: -48324.0 ( -37.26 by residue)
QMean score : 0.331
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