Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRIYTKTGDKGMTRIIGGSKVSKDNIRIDAYGTLDELNSLIGYTITTLGAEPEIQA-ELEQIQQQLFDAGGDLAT--EEGKRAYKLTSE-PVAWLEDRIDIYADEPPEIEKFILPGGTQAASLLHMARTVTRRAEREIVGMLKIASSNEEVLKYVNRLSDYFFAVARVVNYRAGETDIFYKNSELVFRNKKK
3GAI Chain:A ((8-188))
-KIYTKNGDKGQTRIIGKQILYKNDPRVAAYGEVDELNSWVGYTKSLINSHTQVLSNELEEIQQLLFDCGHDLATPADDERHSFKFKQEQPTVWLEEKIDNYTQVVPAVKKAILPGGTQLASALHVARTITRRAERQIVQLMREEQINQDVLIFINRLSDYFFAAARYANYLEQQPDMLYRN----------
General information:
TITO was launched using:
RESULT:
Template:
3GAI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -54842 for 1336 contacts (-41.0/contact) +
2D Compatibility (PS) -19159 + (NN) -9539 + (LL) 996
1D Compatibility (HY) -15200 + (ID) 4600
Total energy: -102344.0 ( -76.60 by residue)
QMean score : 0.466
(partial model without unconserved sides chains):
PDB file :
Tito_3GAI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3GAI-query.scw
PDB file :
Tito_Scwrl_3GAI.pdb
: