Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSLIRKKGFYKQDVNKTAWELPKTYVSPTHVGSGAYGSVCSAIDKRSGEKVAIKKLSRPFQSEIFAKRAYRELLLLKHMQHENVIGLLDVFTPASSLRNFYDFYLVMPFMQTDLQKIMGME--FSEEKIQYLVYQMLKGLKYIHSAGVVHRDLKPGNLAVNEDCELKILDFGLARHADAEMTGYVVTRWYRAPEVILSWMHYNQTVDIWSVGCIMAEMLT-----------GKTLFKGKD-------YLDQLTQILKVTGVPGTEFVQKLNDKAAKSYIQSLPQTPRKDFTQLFPRASPQAADLLEKMLELDVDKRLTAAQALTHPFFEPFRDPEEETEAQQPFDDSLEHE-KLTVDEWKQHIYKEIVNFSPIARKDSRRRSGMKL |
| 3N9X Chain:A ((20-413)) | ----------------KNVHVPDNYIIKHLIGRGSYGYVYLAYDKNTEKNVAIKKVNRMFEDLIDCKRILREITILNRLKSDYIIRLYDLIIPDD-LLKFDELYIVLEIADSDLKKLFKTPIFLTEEHIKTILYNLLLGENFIHESGIIHRDLKPANCLLNQDCSVKVCDFGLARTI------HVVTRWYRAPELILLQENYTKSIDIWSTGCIFAELLNMLQSHINDPTNRFPLFPGSSCFPHEKSNRDQLNIIFNIIGTPTEDDLKNINKPEVIKYIKLFPHRKPINLKQKYPSISDDGINLLESMLKFNPNKRITIDQALDHPYLKDVRKKKLE---TKKIILPFDDWMVLSETQLRYIFLKEVQSFHPELVIPSVFTIHENN |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3N9X.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -195738 for 2589 contacts (-75.6/contact) +
2D Compatibility (PS) -34857 + (NN) -13685 + (LL) 1656
1D Compatibility (HY) -33200 + (ID) 5950
Total energy: -281774.0 ( -108.84 by residue)
QMean score : 0.552
|
|
|