Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKEHHIPKNSIITVAGTVGVGKSTLTKTLAKRLGFKTSLEEVDHNPYLEKFYHDFERWSFHLQIYFLAERFKEQKTIFEAGGGFVQDRSIYEDTGIFAKMHADKGTMSKVDYKTYTSLFEAMVMTPYFPHP---DVLIYLEGDLENILNRIEQRGREMELQTSRSYWEEMHTRYENWISGFNACPVLKLRIEDYDLLNDENSIENIVDQIASVIHDNQKK
2JAT Chain:A ((3-168))
-----------IAIFGTVGAGKSTISAEISKKLGYEIFKEPVEENPYFEQYYKDLKKTVFKMQIYMLTARSKQLKQ----LENIIFDRTLLEDP-IFMKVNYDLNNVDQTDYNTYIDFYNNVVL-------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) -52294 for 1093 contacts (-47.8/contact) +
2D Compatibility (PS) -16092 + (NN) -4094 + (LL) 3784
1D Compatibility (HY) -15600 + (ID) 2850
Total energy: -87146.0 ( -79.73 by residue)
QMean score : 0.482
(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
: