Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNIIDELEWRGAIYQQTDEEGLRKWVEEKQISLYCGIDPSGDSMHIGHLIPFMILRRFQNAGHRPIILVGGATGTIGDPSGKKEERKLQSMEQISKNVESLRVQLGKIFDFE-GNSAASMVNNYDWTKDVSILDFLRDYGKEFNVNTMLSKDIVASRL---EVGISFTEFAYQILQAMDFNHLYEFNDCRLQIGGSDQWGNITAGLDLIRKKQGENAKAFGLTIPLLTKADGTKFGKSEGGAIWLNPEKTTPYEFYQFWINTDDRDVVKYLKYFTFLTEAEIDELAKQVETEPHLRAAQKTLAAEMTKFVHSEEALEQALKISKALFSGDVKALTADEIEQGFKDVPTFVAEDSEANLVDWLVTLGIEPSKRQAREDVGNGAIYINGERQQDLEKIMDASDRIENKFTIVRRGKKKYFLVSYK |
1WQ4 Chain:A ((4-319)) | -NLIKQLQERGLVAQVTDEEALAERLAQGPIALVCGFDPTADSLHLGHLVPLLCLKRFQQAGHKPVALVGGATGLIGDPSFKAAERKLNTEETVQEWVDKIRKQVAPFLDFDCGENSAIAANNYDWFGNMNVLTFLRDIGKHFSVNQMINKEAVKQRLNREDQGISFTEFSYNLLQGYDFACLNKQYGVVLCIGGSDQWGNITSGIDLTRRLH--QNQVFGLTVPLITKADGTKFGKTEGGAVWLDPKKTSPYKFYQFWINTADADVYRFLKFFTFMSIEEINALEEEDKNSGKAPRAQYVLAEQVTRLVHGEEGLQAA-------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1WQ4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -136602 for 2558 contacts (-53.4/contact) +
2D Compatibility (PS) -33397 + (NN) -15445 + (LL) 7440
1D Compatibility (HY) -30800 + (ID) 8150
Total energy: -216954.0 ( -84.81 by residue)
QMean score : 0.522
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