Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEDFLLSNGYQLGKTIGEGTYSKVKEAFSKKHQRKVAIKVIDKMGGPEEFIQRFLPRELQIVRTLDHKNIIQVYEMLESADGKICLVMELAEGGDVFDCVLNGGPLPESRAKALFRQMVEAIRYCHGCGVAHRDLKCENALLQG----FNLKLTDFGFAKVLPKSHRELSQTF---CGSTAYAAPEVLQGIPHDSKKGDVWSMGVVLYVMLCASLPFDDTDIPKMLWQQQKG---VSFPTHLSISADCQDLLKRLLEPDMILRPSIEEVSWHPWLAST
3V51 Chain:A ((23-287))
----IFSDRYKGQRVLGKGSFGEVILCKDKITGQECAVKVISKRQVKQKTDKESLLREVQLLKQLDHPNIMKLYEFFEDK-GYFYLVGEVYTGGELFDEIISRKRFSEVDAARIIRQVLSGITYMHKNKIVHRDLKPENLLLESKSKDANIRIIDFGLS-----THFEASKKMKDKIGTAYYIAPEVLHGTY--DEKCDVWSTGVILYILLSGCPPFNGANEYDILKKVEKGKYTFELPQWKKVSESAKDLIRKMLTYVPSMRISARDALDHEWIQTY
General information:
TITO was launched using:
RESULT:
Template:
3V51.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -136569 for 1977 contacts (-69.1/contact) +
2D Compatibility (PS) -27439 + (NN) -13242 + (LL) 616
1D Compatibility (HY) -19200 + (ID) 4300
Total energy: -200134.0 ( -101.23 by residue)
QMean score : 0.394
(partial model without unconserved sides chains):
PDB file :
Tito_3V51.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3V51-query.scw
PDB file :
Tito_Scwrl_3V51.pdb
: