Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTYKDYTGLDRTELLSKVRHMM----SDKRFNHVLGVERAAIELAERYG-YDKEKAGLAALLHDYAKELSDDEFLRLIDKYQLDPDLKKWGNNIWHGLVGIYKIQEDLAIKD---QDILAAIAKHTVGSA--QMSTLDKIVYVADYIEHNRDFPGVEEARELAKVDLNKAVAYETARTVSFLASKAQPIYPKTIETYNAYIPYLD
2QGS Chain:A ((5-126))
--------MKIKKAYEYMKSFHQHDTTGHDIAHVERVYNNACYIAKRENITDTLVIELSSLLHDTVDSKLTD--------------------EILAYDQLKQFLST-LDLSSEISQQVLYIIKHMS----HVKLSIDGEIVRDADRLDAIGAIGIARTFQFSGHFGEPMWTETKLSNEELHTSLVEELDNSAIKHFYEKLFKLKD
General information:
TITO was launched using:
RESULT:
Template:
2QGS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -40558 for 751 contacts (-54.0/contact) +
2D Compatibility (PS) -11303 + (NN) -6350 + (LL) 1556
1D Compatibility (HY) -3600 + (ID) 1150
Total energy: -61405.0 ( -81.76 by residue)
QMean score : 0.524
(partial model without unconserved sides chains):
PDB file :
Tito_2QGS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2QGS-query.scw
PDB file :
Tito_Scwrl_2QGS.pdb
: