Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEDFLLSNGYQLGKTIGEGTYSKVKEAFSKKHQRKVAIKVIDKMGGPEEFIQRFLPRELQIVRTLDHKNIIQVYEMLESADGKICLVMELAEGGDVFDCVLNGGPLPESRAKALFRQMVEAIRYCHGCGVAHRDLKCENALLQG----FNLKLTDFGFAKVLPKSHRELSQTF---CGSTAYAAPEVLQGIPHDSKKGDVWSMGVVLYVMLCASLPFDDTDIPKMLWQQQKG---VSFPTHLSISADCQDLLKRLLEPDMILRPSIEEVSWHPWLAST
3MA6 Chain:B ((29-293))
----IFSDRYKGQRVLGKGSFGEVILCKDKITGQECAVKVISKRQVKQ-TDKESLLREVQLLKQLDHPNIMKLYEFFEDK-GYFYLVGEVYTGGELFDEIISRKRFSEVDAARIIRQVLSGITYMHKNKIVHRDLKPENLLLESKSKDANIRIIDFGLS-----THFEASKKMKDKIGTAYYIAPEVLHGTYDE--KCDVWSTGVILYILLSGCPPFNGANEYDILKKVEKGKYTFELPQWKKVSESAKDLIRKMLTYVPSMRISARDALDHEWIQTY
General information:
TITO was launched using:
RESULT:
Template:
3MA6.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -146593 for 1957 contacts (-74.9/contact) +
2D Compatibility (PS) -27125 + (NN) -12320 + (LL) 788
1D Compatibility (HY) -19200 + (ID) 4300
Total energy: -208750.0 ( -106.67 by residue)
QMean score : 0.397
(partial model without unconserved sides chains):
PDB file :
Tito_3MA6.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3MA6-query.scw
PDB file :
Tito_Scwrl_3MA6.pdb
: