Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAAAAAAGAGPEMVRGQVFDVGPRYTNLSYIGEGAYGMVCSAYDNVNKVRVAIKKIS-PFEHQTYCQRTLREIKILLRFRHENIIGINDIIRAPTIEQMKDVYIVQDLMETDLYKLLKTQ-HLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLLNTTCDLKICDFGLARVADPDHDHTGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLS-----------NRPIFPGKH-------YLDQLNHILGILGSPSQEDLNCIINLKARNYLLSLPHKNKVPWNRLFPNADSKALDLLDKMLTFNPHKRIEVEQALAHPYLEQYYDPSDEPIAEAPFKFDMELD-DLPKEKLKELIFEETARFQPGYRS |
3N9X Chain:A ((18-411)) | --------------GIKNVHVPDNYIIKHLIGRGSYGYVYLAYDKNTEKNVAIKKVNRMFEDLIDCKRILREITILNRLKSDYIIRLYDLIIPDDLLKFDELYIVLEIADSDLKKLFKTPIFLTEEHIKTILYNLLLGENFIHESGIIHRDLKPANCLLNQDCSVKVCDFGLARTI------------HVVTRWYRAPELILLQENYTKSIDIWSTGCIFAELLNMLQSHINDPTNRFPLFPGSSCFPHEKSNRDQLNIIFNIIGTPTEDDLKNINKPEVIKYIKLFPHRKPINLKQKYPSISDDGINLLESMLKFNPNKRITIDQALDHPYLKDVRKKKLE---TKKIILPFDDWMVLSETQLRYIFLKEVQSFHPELVI |
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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) -232316 for 2586 contacts (-89.8/contact) +
2D Compatibility (PS) -35136 + (NN) -16311 + (LL) 1508
1D Compatibility (HY) -34000 + (ID) 6750
Total energy: -323005.0 ( -124.91 by residue)
QMean score : 0.751
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