Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEGVENKVIVLAGMIGAGKSSYTELIANELGTKAFYESIKDNRILEMFYDDPKRWAFALQIYFLNTRFRSIKAALTDQNNVLDRSIYEDALFTQINFEEGNISEPEMDTYLDLLDNMMEELAYMPKKAPDLLIYLRGSLDTVLSRIALRGRPYEQIDDNPGLLEYYKHLHSRYDSWFASYDKSETLVINIDEIDINKPNDADYVMQLIHEKLKR
2JAS Chain:E ((4-170))
--------IAIFGTVGAGKSTISAEISKKLGYEIFKEPVEENPYFEQYYKDLKKTVFKMQIYMLTARSKQLKQAKNLENIIFDRTLLEDPIFMKVNYDLNNVDQTDYNTYIDFYNNVVLENL----LSFDIVIYLRVSTKTAISRIKKRGRSEELLIGE----EYWETLNKNYEEFY-------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
2JAS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -59506 for 1162 contacts (-51.2/contact) +
2D Compatibility (PS) -17165 + (NN) -5858 + (LL) 3556
1D Compatibility (HY) -14400 + (ID) 2800
Total energy: -96173.0 ( -82.77 by residue)
QMean score : 0.414
(partial model without unconserved sides chains):
PDB file :
Tito_2JAS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2JAS-query.scw
PDB file :
Tito_Scwrl_2JAS.pdb
: