Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSGKPVIHEFIVVEGRDDTTAINRSVIADTIETNGSALSQETIEKIRHAQELRGVIIFTDPDFPGEKIRKQIDSAVPG----CKHAFINRQDALPKAGRGLGVEHASSANIREALENFHTSGAPTEKQFISKDILVHLGLLGGVGAKERREKIGNILKIGYTNGKQLQTRLESFAISEEQLVAACQKIMQEEENE |
2AU3 Chain:A ((243-351)) | -----EEGFAILVEGYFDLLRLFSEGIRNVVAPLGTALTQNQANLLSKFT--KKVYILYDGDDAGRKAMKSAIPLLLSAGVEVYPVYLPE-GYDPD---EFI-KEFGKEELRRLINSSGEL-------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2AU3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -43609 for 762 contacts (-57.2/contact) +
2D Compatibility (PS) -11217 + (NN) 77 + (LL) 6140
1D Compatibility (HY) -3600 + (ID) 950
Total energy: -53159.0 ( -69.76 by residue)
QMean score : 0.544
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