Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQHLVLIGFMGSGKSSLAQELGLALKLEVLDTDMIISERVGLSVRGIFEELGEDNFRMFEKNLIDELKTLKTPHIISTGGGIVMHENLKG----LGTTFYLKMDFETLIKRLNQKEREKRPLLN--N--LTQAKELFEKRQALYEKNASFIIDARGG-LNNSLKQVLQFIA
1KAG Chain:A ((4-171))
KRNIFLVGPMGAGKSTIGRQLAQQLNMEFYDSDQEIEKRTGADVGWVFDLEGEEGFRDREEKVINELTE-KQGIVLATGGGSVKSRETRNRLSARGVVVYLETTIEKQLART--------PLLHVETPPREVLEALANERNPLYEEIADVTI-----SAKVVANQIIHMLE
General information:
TITO was launched using:
RESULT:
Template:
1KAG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -95077 for 1155 contacts (-82.3/contact) +
2D Compatibility (PS) -15891 + (NN) -4439 + (LL) 576
1D Compatibility (HY) -6400 + (ID) 2350
Total energy: -123581.0 ( -107.00 by residue)
QMean score : 0.594
(partial model without unconserved sides chains):
PDB file :
Tito_1KAG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1KAG-query.scw
PDB file :
Tito_Scwrl_1KAG.pdb
: