Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEGVENKVIVLAGMIGAGKSSYTELIANELGTKAFYESIKDNRILEMFYDDPKRWAFALQIYFLNTRFRSIKAALTDQNNVLDRSIYEDALFTQINFEEGNISEPEMDTYLDLLDNMMEELAYMPKKAPDLLIYLRGSLDTVLSRIALRGRPYEQIDDNPGLLEYYKHLHSRYDSWFASYDKSETLVINIDEIDINKPNDADYVMQLIHEKLKR
2JAT Chain:B ((3-169))
--------IAIFGTVGAGKSTISAEISKKLGYEIFKEPVEENPYFEQYYKDLKKTVFKMQIYMLTARSKQLKQAKNLENIIFDRTLLEDPIFMKVNYDLNNVDQTDYNTYIDFYNNVVL-------LSFDIVIYLRVSTKTAISRIKKRGRSEELLIGE----EYWETLNKNYEEFY-------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
2JAT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -66882 for 1157 contacts (-57.8/contact) +
2D Compatibility (PS) -16595 + (NN) -2813 + (LL) 3980
1D Compatibility (HY) -14800 + (ID) 2750
Total energy: -99860.0 ( -86.31 by residue)
QMean score : 0.492
(partial model without unconserved sides chains):
PDB file :
Tito_2JAT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2JAT-query.scw
PDB file :
Tito_Scwrl_2JAT.pdb
: