Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MDMFQKVEKIGEGTYGVVYKAKNRETGQLVALKKIRLDLEMEGVPSTAIREISLLKELKHPNIVRLLDVVHNE-----RKLYLVFEFLSQDLKKYMDSTPGSELPLHLIKSYLFQLLQGVSFCHSHRVIHRDLKPQNLLINELGAIKLADFGLARAFGVPLRTYTHEVVTLWYRAPEILLGSKFYTTAVDIWSIGCIFAEMVT-----------RKALFPGDS-------EIDQLFRIFRMLGTPSEDTWPGVTQ--LPDYKGSFPKWTRKGLEEIVPNLEPEGRDLLMQLLQYDPSQRITAKTALAHPYFSSPEPSPAARQYVLQRFRH |
| 3N9X Chain:A ((27-368)) | --NYIIKHLIGRGSYGYVYLAYDKNTEKNVAIKKVNRMFEDLIDCKRILREITILNRLKSDYIIRLYDLIIPDDLLKFDELYIVLEIADSDLKKLFKTP--IFLTEEHIKTILYNLLLGENFIHESGIIHRDLKPANCLLNQDCSVKVCDFGLARTI---------HVVTRWYRAPELILLQENYTKSIDIWSTGCIFAELLNMLQSHINDPTNRFPLFPGSSCFPHEKSNRDQLNIIFNIIGTPTEDDLKNINKPEVIKYIKLFPHRKPINLKQKYPSISDDGINLLESMLKFNPNKRITIDQALDHPYLKDVRKKKLETKKIILPFDD |
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General information:
TITO was launched using:
| RESULT:
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Template: 3N9X.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -169701 for 2162 contacts (-78.5/contact) +
2D Compatibility (PS) -28493 + (NN) -3602 + (LL) 216
1D Compatibility (HY) -28400 + (ID) 5700
Total energy: -235680.0 ( -109.01 by residue)
QMean score : 0.514
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