Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSGDKLLSELGYKLGRTIGEGSYSKVKVATSKKYKGTVAIKVVDRRRAPPDFVNKFLPRELSILRGVRHPHIVHVFEFIEVCNGKLYIVMEA-AATDLLQAVQRNGRIPGVQARDLFAQIAGAVRYLHDHHLVHRDLKCENVLLSPDER--RVKLTDFGFGRQAHGYPDLSTTYCGSAAYASPEVLLGIPYDPKKYDVWSMGVVLYVMVTGCMPFDDSDIAGLPRRQKRG---VLYPEGLELSERCKALIAELLQFSPSARPSAGQVARNCWLRAGDSG
3T3U Chain:A ((28-287))
-----------YKGQRVLGKGSFGEVILCKDKITGQECAVKVISKRQVKQKTDKESLLREVQLLKQLDHPNIMKLYEFFE-DKGYFYLVGEVYTGGELFDEIISRKRFSEVDAARIIRQVLSGITYMHKNKIVHRDLKPENLLLESKSKDANIRIIDFGLSTHFEASKKMKDK-IGTAYYIAPEVLHG-TYD-EKCDVWSTGVILYILLSGCPPFNGANEYDILKKVEKGKYTFELPQWKKVSESAKDLIRKMLTYVPSMRISARDALDHEWIQTYTKE
General information:
TITO was launched using:
RESULT:
Template:
3T3U.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -132530 for 1956 contacts (-67.8/contact) +
2D Compatibility (PS) -27701 + (NN) -16658 + (LL) 776
1D Compatibility (HY) -22400 + (ID) 4150
Total energy: -202663.0 ( -103.61 by residue)
QMean score : 0.418
(partial model without unconserved sides chains):
PDB file :
Tito_3T3U.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3T3U-query.scw
PDB file :
Tito_Scwrl_3T3U.pdb
: