Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNNYGIPQNAIITIAGTVGVGKSTLTQALADKLNFKTSFENVEHNPYLDKFYSDFERWSFHLQIYFLAERFKEQKRMFEYGGGFVQDRSIYEDVDIFAKMHEEEGTMSKEDFKTYSDLFNAMVMTPYFPKP---DVMIYLECNYDEVIDRIIERGREMEINTDPEYWKKLFKRYDDWINSFNACPVVRININEYDIHKDPESLNPMIDKIARIIQTYRQVDTR
2JAT Chain:A ((3-168))
-----------IAIFGTVGAGKSTISAEISKKLGYEIFKEPVEENPYFEQYYKDLKKTVFKMQIYMLTARSKQLKQ----LENIIFDRTLLED-PIFMKVNYDLNNVDQTDYNTYIDFYNNVVL-------LSFDIVIYLRVSTKTAISRIKKRGRSEELLIGEEYWETLNKNYEEF----------------------------------------------
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) -52073 for 1093 contacts (-47.6/contact) +
2D Compatibility (PS) -16338 + (NN) -6252 + (LL) 4264
1D Compatibility (HY) -15600 + (ID) 2900
Total energy: -88899.0 ( -81.33 by residue)
QMean score : 0.524
(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
: