Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNIIDELEWRGAIYQQTDEEGLRKWVEEKQISLYCGIDPSGDSMHIGHLIPFMILRRFQNAGHRPIILVGGATGTIGDPSGKKEERKLQSMEQISKNVESLRVQLGKIFDFE-GNSAASMVNNYDWTKDVSILDFLRDYGKEFNVNTMLSKDIVASRL---EVGISFTEFAYQILQAMDFNHLYEFNDCRLQIGGSDQWGNITAGLDLIRKKQGENAKAFGLTIPLLTKADGTKFGKSEGGAIWLNPEKTTPYEFYQFWINTDDRDVVKYLKYFTFLTEAEIDELAKQVETEPHLRAAQKTLAAEMTKFVHSEEALEQALKISKALFSGDVKALTADEIEQGFKDVPTFVAEDSEANLVDWLVTLGIEPSKRQAREDVGNGAIYINGERQQDLEKIMDASDRIENKFTIVRRGKKKYFLVSYK |
1WQ3 Chain:A ((5-320)) | -NLIKQLQERGLVAQVTDEEALAERLAQGPIALVCGFDPTADSLHLGHLVPLLCLKRFQQAGHKPVALVGGATGLIGDPSFKAAERKLNTEETVQEWVDKIRKQVAPFLDFDCGENSAIAANNYDWFGNMNVLTFLRDIGKHFSVNQMINKEAVKQRLNREDQGISFTEFSYNLLQGYDFACLNKQYGVVLCIGGSDQWGNITSGIDLTRRLH--QNQVFGLTVPLITKADGTKFGKTEGGAVWLDPKKTSPYKFYQFWINTADADVYRFLKFFTFMSIEEINALEEEDKNSGKAPRAQYVLAEQVTRLVHGEEGLQAA-------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1WQ3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -137315 for 2546 contacts (-53.9/contact) +
2D Compatibility (PS) -33386 + (NN) -15337 + (LL) 7440
1D Compatibility (HY) -30800 + (ID) 8150
Total energy: -217548.0 ( -85.45 by residue)
QMean score : 0.512
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