Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSQERPTFYRQELNKTIWEVPERYQNLSPVGSGAYGSVCAAFDTKTGLRVAVKKLSRPFQSIIHAKRTYRELRLLKHMKHENVIGLLDVFTPARSLEEFNDVYLVTHLMGADLNNIVKC-QKLTDDHVQFLIYQILRGLKYIHSADIIHRDLKPSNLAVNEDCELKILDFGLARHTDDEMTGYVATRWYRAPEIMLNWMHYNQTVDIWSVGCIMAELLT-----------GRTLFPGTD-------HIDQLKLILRLVGTPGAELLKKISSESARNYIQSLTQMPKMNFANVFIGANPLAVDLLEKMLVLDSDKRITAAQALAHAYFAQYHDPDDEPVA-DPYDQSFESR-DLLIDEWKSLTYDEVISFVPPPLDQEEMES |
| 3N9X Chain:A ((20-412)) | ---------------KNVHVPDNYIIKHLIGRGSYGYVYLAYDKNTEKNVAIKKVNRMFEDLIDCKRILREITILNRLKSDYIIRLYDLIIPDD-LLKFDELYIVLEIADSDLKKLFKTPIFLTEEHIKTILYNLLLGENFIHESGIIHRDLKPANCLLNQDCSVKVCDFGLARTI------HVVTRWYRAPELILLQENYTKSIDIWSTGCIFAELLNMLQSHINDPTNRFPLFPGSSCFPHEKSNRDQLNIIFNIIGTPTEDDLKNINKPEVIKYIKLFPHRKPINLKQKYPSISDDGINLLESMLKFNPNKRITIDQALDHPYLKDVRKKKLE---TKKIILPFDDWMVLSETQLRYIFLKEVQSFHPELVIPSVFTI |
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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) -222036 for 2575 contacts (-86.2/contact) +
2D Compatibility (PS) -34710 + (NN) -14343 + (LL) 1332
1D Compatibility (HY) -33600 + (ID) 6150
Total energy: -309507.0 ( -120.20 by residue)
QMean score : 0.689
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