Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MIPCEEEIQIRDMARQFAQERLK-PFAADWDREHRFPAEAIREMADLGFLGMLVPEEWGGAQTG---HLAYAMALEEIAAGDGACSTIMSVHNSVGCMPIHKFGSAEQKERFLRPLAQGSMLGAFALTEPQAGSDASFLKTRARRD-GDHYVLNGAKQFITSGSHAGMVIVFAVTDPDAGKRGISAFIVPTDTPGYEVVRIEDKLGQHASDTCQLAFNDLRIPATLRLGEEGEGYRIALANLEGGRIGIAAQAVGMARAAFEAARDYAHERETFGKPIIEHQAVAFRLADMATRIAVARQMVHHAASLREAGLPCLTEASMAKLFASEMAEEVCSAAIQTLGGYGYLKDFPVERIYRDVRVCQIYEGTSDVQRLVIARSL |
1BUC Chain:A ((4-381)) | -NLTDIQQDFLKLAHDFGEKKLAPTVTERDHKG-IYDKELIDELLSLGITGAYFEEKYGGSGDDGGDVLSYILAVEELAKYDAGVAITLSATVSLCANPIWQFGTEAQKEKFLVPLVEGTKLGAFGLTEPNAGTDASGQQTIATKNDDGTYTLNGSKIFITNGGAADIYIVFAMTDKSKGNHGITAFILEDGTPGFTYGKKEDKMGIHTSQTMELVFQDVKVPAENMLGEEGKGFKIAMMTLDGGRIGVAAQALGIAEAALADAVEYSKQRVQFGKPLCKFQSISFKLADMKMQIEAARNLVYKAACKKQEGKPFTVDAAIAKRVASDVAMRVTTEAVQIFGGYGYSEEYPVARHMRDAKITQIYEGTNEVQLMVTGGAL |
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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) -209815 for 3418 contacts (-61.4/contact) +
2D Compatibility (PS) -41821 + (NN) -26550 + (LL) 252
1D Compatibility (HY) -25200 + (ID) 7850
Total energy: -310984.0 ( -90.98 by residue)
QMean score : 0.437
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