Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSAPVEALFQPFRLGALELPTRVVMAPMTRNFSPGGVPNAKVVEYYRRRAAAGVGLIVSEGTTVGHKAANGY-PNVPRFYGEDALAGWKQVVDAVHAEGGRIVPQLWHVGSVRRLGVEPDASVPGYGPMEKAKD----GKVLVHGMSKADIQEVIAAFAQAARDAQAIGMDGVEIHGAHGYL-IDQFFWEGSNQRDDEYGGSLANRSRFAVELVRAVRAAVGADFPIIFRFSQWKQQDYSARLVETPEGLREFLAPLVEAGVDIFHCSTRRFWIPE----F-EGSELN-LAGWTRELTGKPTITVGNVGLDGSEFLQFFGKTDEVAQPASIDGLVERLDKGEFDLVAVGRALLVDPEWAVKVREGRIGDIKPFSREALASLV |
| 3K30 Chain:A ((8-348)) | -AAPYDVLFEPVQIGPFTTKNRFYQVPHCNGMGYRD--PSAQASMRKIKAEGGWSAVCTEQVEIHATS-DIAPFIELRIWDDQDLPALKRIADAIHEGGGLAGIELAHNGMNAPNQLS--RETP-LGPGHLPVAPDTIAPIQARAMTKQDIDDLRRWHRNAVRRSIEAGYDIVYVYGAHGYSGVHHFLSKRYNQRTDEYGGSLENRMRLLRELLEDTLDECAGRAAVACRITVEEE--IDGGI--TREDIEGVLRELGEL-PDLWDFAMGSWEGDSVTSRFAPEGRQEEFVAGLKKLTTKPVVGVGRFTSP------------DAMV--------RQIKAGILDLIGAARPSIADPFLPNKIRDGRLNLIRECIGCNICVSG |
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General information:
TITO was launched using:
| RESULT:
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Template: 3K30.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -159297 for 2999 contacts (-53.1/contact) +
2D Compatibility (PS) -36413 + (NN) -17024 + (LL) 948
1D Compatibility (HY) -10800 + (ID) 4000
Total energy: -226586.0 ( -75.55 by residue)
QMean score : 0.548
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