Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEDFLLSNGYQLGKTIGEGTYSKVKEAFSKKHQRKVAIKVIDKMGGPEEFIQRFLPRELQIVRTLDHKNIIQVYEMLESADGKICLVMELAEGGDVFDCVLNGGPLPESRAKALFRQMVEAIRYCHGCGVAHRDLKCENALLQG----FNLKLTDFGFAKVLPKSHRELSQTF---CGSTAYAAPEVLQGIPHDSKKGDVWSMGVVLYVMLCASLPFDDTDIPKMLWQQQKG---VSFPTHLSISADCQDLLKRLLEPDMILRPSIEEVSWHPWLAST
4TZR Chain:A ((23-287))
----IFSDRYKGQRVLGKGSFGEVILCKDKITGQECAVKVISKRQVKQKTDKESLLREVQLLKQLDHPNIMKLYEFFEDK-GYFYLVGEVYTGGELFDEIISRKRFSEVDAARIIRQVLSGITYMHKNKIVHRDLKPENLLLESKSKDANIRIIDFGLS-----THFEASKKMKDKIGTAYYIAPEVLHGTY--DEKCDVWSTGVILYILLSGCPPFNGANEYDILKKVEKGKYTFELPQWKKVSESAKDLIRKMLTYVPSMRISARDALDHEWIQTY
General information:
TITO was launched using:
RESULT:
Template:
4TZR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -139329 for 1969 contacts (-70.8/contact) +
2D Compatibility (PS) -27407 + (NN) -13125 + (LL) 616
1D Compatibility (HY) -19200 + (ID) 4300
Total energy: -202745.0 ( -102.97 by residue)
QMean score : 0.392
(partial model without unconserved sides chains):
PDB file :
Tito_4TZR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4TZR-query.scw
PDB file :
Tito_Scwrl_4TZR.pdb
: