Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSTPTPPALDRDDPLGLDASLSSDEIAVRDTVRRFCAEHVTPHVAAWFEDGDLPVARDLAKQFGELGLLGMQLHGHGCGGASAVHYGLACRELEAADSGIRSLVSVQGSLAMFAIASFGSDEQKRQWLPGMATGDLLGCFGLTEPDVGSDPAAMKTRA-RRDGPDWVITGGKMWITNGSVADVAIVWAATDD-----GIRGFIVPTDTPGFTANTIGHKLSLRASITSELVLDNVRLPADAML-PGATGLRAPLACLSEARYGIVWGAMGAARSAWQCALDYARQRTQFGRPIAGFQLTQAKLVDMAVELHKGQLLSLHLGRLKDRVGLRPDQV--SFGKLNNTREALKICRTARTILGGNGISLEYPVIRHMVNLESVLTYEGTPEMHQLVLGQAFTGLAAFR |
1BUC Chain:A ((70-381)) | -----------------------------------------------------------------------------------LSYILAVEELAKYDAGVAITLSATVSLCANPIWQFGTEAQKEKFLVPLVEGTKLGAFGLTEPNAGTDASGQQTIATKNDDGTYTLNGSKIFITNGGAADIYIVFAMTDKSKGNHGITAFILEDGTPGFTYGKKEDKMGIHTSQTMELVFQDVKVPAENMLGEEGKGFKIAMMTLDGGRIGVAAQALGIAEAALADAVEYSKQRVQFGKPLCKFQSISFKLADMKMQIEAARNL-VYKAACKKQEG-KPFTVDAAIAKRVASDVAMRVTTEAVQIFGGYGYSEEYPVARHMRDAKITQIYEGTNEVQLMVTGGAL------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1BUC.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -148617 for 2645 contacts (-56.2/contact) +
2D Compatibility (PS) -33047 + (NN) -21277 + (LL) 4560
1D Compatibility (HY) -17200 + (ID) 5650
Total energy: -221231.0 ( -83.64 by residue)
QMean score : 0.382
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