Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTSLIIAEDQNMLRQAMVQLIKLHGDFEILADT-DNGLDAMKLIEEYNPNVVILDIEMPGMTGLEVLAEIRKKHLNIKVIIVTTFKRPGYFEKAVVNDVDAYVLKERSIEELVETINKVNNGEKEYSATLMTSFFVDKNPLTPKEQIVLREIGNGLSSKEISEKLFLTDGTVRNYTSVIIDKLFADNRFDAWKKANEKGWI
3A0U Chain:A ((1-114))
MKRILVVDDEPNIRELLKEELQEEG-YEI--DTAENGEEALKKFFSGNYDLVILDIEMPGISGLEVAGEIRKKKKDAKIILLTAYSH--YRSDLSSWAADEYVVKSFNFDELKEKVKKL----------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3A0U.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -106116 for 878 contacts (-120.9/contact) +
2D Compatibility (PS) -12730 + (NN) -9945 + (LL) 4884
1D Compatibility (HY) -7600 + (ID) 2150
Total energy: -133657.0 ( -152.23 by residue)
QMean score : 0.680
(partial model without unconserved sides chains):
PDB file :
Tito_3A0U.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3A0U-query.scw
PDB file :
Tito_Scwrl_3A0U.pdb
: