Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEDFLLSNGYQLGKTIGEGTYSKVKEAFSKKHQRKVAIKVIDKMGGPEEFIQRFLPRELQIVRTLDHKNIIQVYEMLESADGKICLVMELAEGGDVFDCVLNGGPLPESRAKALFRQMVEAIRYCHGCGVAHRDLKCENALLQG----FNLKLTDFGFAKVLPKSHRELSQTF---CGSTAYAAPEVLQGIPHDSKKGDVWSMGVVLYVMLCASLPFDDTDIPKMLWQQQKG---VSFPTHLSISADCQDLLKRLLEPDMILRPSIEEVSWHPWLAST
4JBV Chain:A ((23-287))
----IFSDRYKGQRVLGKGSFGEVILCKDKITGQECAVKVISKRQVKQKTDKESLLREVQLLKQLDHPNIMKLYEFFEDK-GYFYLVGEVYTGGELFDEIISRKRFSEVDAARIIRQVLSGITYMHKNKIVHRDLKPENLLLESKSKDANIRIIDFGLS-----THFEASKKMKDKIGTAYYIAPEVLHGTY--DEKCDVWSTGVILYILLSGCPPFNGANEYDILKKVEKGKYTFELPQWKKVSESAKDLIRKMLTYVPSMRISARDALDHEWIQTY
General information:
TITO was launched using:
RESULT:
Template:
4JBV.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -135490 for 1975 contacts (-68.6/contact) +
2D Compatibility (PS) -27493 + (NN) -13203 + (LL) 616
1D Compatibility (HY) -19200 + (ID) 4300
Total energy: -199070.0 ( -100.79 by residue)
QMean score : 0.404
(partial model without unconserved sides chains):
PDB file :
Tito_4JBV.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4JBV-query.scw
PDB file :
Tito_Scwrl_4JBV.pdb
: