Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MITACPRPCAWRSYALGLGLLPLAAQAEFLADSSAHLDLRNFYQLRDYRQHDAPQSQAGNWSQGFVLRLQSGFTGGPLGFGLDATGLLGVKLDSGRGRSNDGTLPFGANSKEPVDDYSHLGLTAKLRYSQTQLQVGILMPQLPVAFRDDVRLLPQTFDGALLTSSEIEGLTLTAGQLWKSRTRESAGSDDMYIMGRDKAHASDEFNLAGATYAFTPRLSASYYYGQLKDIYRQHYLGLLHTLPLGEGLSLRSDLRYFDSGEDGAAISGPVDNRNLNAMLTLRAGAHAFGIGVQKMIGNDAFPVLNGYTTPYVANLMAYQTFTRPQEKSWQLRYDYDFAGLGLPGLNLMTRYVQGRDIDRGAGRADDSEWERNTDLSYVIQSGPLKSVALKWRNITYRSRYGADLDENRFIVNYTLKLW |
4FRT Chain:A ((12-400)) | --------------------------------GKAGLELRNFYFNRDYRQP--SQSYSEEWAQGFLLRYESGYTEGLFGLGVDALGLLGVRLDSSPERS------YSTSDRRAAHDYSSLGLTAKLRVSHSTLKIGTLMPRLPVVQFNDTRLHPQTFQGGLLEVNEIDGLALQFGQLRQVKQRDSTNAEDLGITRGNKRNVSDRFDFAGGTYRWSERLSSSYHYANLEDFYRQHHLGVQHLLPLADDQSLKSDIRWARSTDEG-----RVNNRALNALFTYRLGGHAFGLGYQRMSGDSGFAYLAG-TDPYLVNFVQIGDFANKDERSWQLRYDYDFAAIGLPGLTFMSRYLRGEHIDLLDGGGRGKEWERDTDIAYLV--GPLKNLGIKLRNGTFRSDFGNDIDETRLIVSYALPLW |
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General information:
TITO was launched using:
| RESULT:
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Template: 4FRT.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -5321 for 2926 contacts (-1.8/contact) +
2D Compatibility (PS) -36604 + (NN) 2075 + (LL) 2880
1D Compatibility (HY) -36400 + (ID) 9500
Total energy: -82870.0 ( -28.32 by residue)
QMean score : 0.187
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