Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSGDKLLSELGYKLGRTIGEGSYSKVKVATSKKYKGTVAIKVVDRRRAPPDFVNKFLPRELSILRGVRHPHIVHVFEFIEVCNGKLYIVMEA-AATDLLQAVQRNGRIPGVQARDLFAQIAGAVRYLHDHHLVHRDLKCENVLLSPDER--RVKLTDFGFGRQAHGYPDLSTTYCGSAAYASPEVLLGIPYDPKKYDVWSMGVVLYVMVTGCMPFDDSDIAGLPRRQKRG---VLYPEGLELSERCKALIAELLQFSPSARPSAGQVARNCWLRAGDSG
4WG3 Chain:A ((28-287))
-----------YKGQRVLGKGSFGEVILCKDKITGQECAVKVISKRQVKQKTDKESLLREVQLLKQLDHPNIMKLYEFFE-DKGYFYLVGEVYTGGELFDEIISRKRFSEVDAARIIRQVLSGITYMHKNKIVHRDLKPENLLLESKSKDANIRIIDFGLSTHFEASKKMKDK-IGTAYYIAPEVLHG-TYD-EKCDVWSTGVILYILLSGCPPFNGANEYDILKKVEKGKYTFELPQWKKVSESAKDLIRKMLTYVPSMRISARDALDHEWIQTYTKD
General information:
TITO was launched using:
RESULT:
Template:
4WG3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -127530 for 1948 contacts (-65.5/contact) +
2D Compatibility (PS) -27820 + (NN) -17928 + (LL) 776
1D Compatibility (HY) -22400 + (ID) 4150
Total energy: -199052.0 ( -102.18 by residue)
QMean score : 0.470
(partial model without unconserved sides chains):
PDB file :
Tito_4WG3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4WG3-query.scw
PDB file :
Tito_Scwrl_4WG3.pdb
: