Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSGDKLLSELGYKLGRTIGEGSYSKVKVATSKKYKGTVAIKVVDRRRAPPDFVNKFLPRELSILRGVRHPHIVHVFEFIEVCNGKLYIVMEA-AATDLLQAVQRNGRIPGVQARDLFAQIAGAVRYLHDHHLVHRDLKCENVLLSPDER--RVKLTDFGFGRQAHGYPDLSTTYCGSAAYASPEVLLGIPYDPKKYDVWSMGVVLYVMVTGCMPFDDSDIAGLPRRQKRG---VLYPEGLELSERCKALIAELLQFSPSARPSAGQVARNCWLRAGDSG
3SX9 Chain:A ((28-287))
-----------YKGQRVLGKGSFGEVILCKDKITGQECAVKVISKRQVKQKTDKESLLREVQLLKQLDHPNIMKLYEFFE-DKGYFYLVGEVYTGGELFDEIISRKRFSEVDAARIIRQVLSGITYMHKNKIVHRDLKPENLLLESKSKDANIRIIDFGLSTHFEASKKMKDK-IGTAYYIAPEVLHG-TYD-EKCDVWSTGVILYILLSGCPPFNGANEYDILKKVEKGKYTFELPQWKKVSESAKDLIRKMLTYVPSMRISARDALDHEWIQTYTKD
General information:
TITO was launched using:
RESULT:
Template:
3SX9.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -134773 for 1944 contacts (-69.3/contact) +
2D Compatibility (PS) -27835 + (NN) -17653 + (LL) 776
1D Compatibility (HY) -22400 + (ID) 4150
Total energy: -206035.0 ( -105.99 by residue)
QMean score : 0.443
(partial model without unconserved sides chains):
PDB file :
Tito_3SX9.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3SX9-query.scw
PDB file :
Tito_Scwrl_3SX9.pdb
: