Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKEHHIPKNSIITVAGTVGVGKSTLTKTLAKRLGFKTSLEEVDHNPYLEKFYHDFERWSFHLQIYFLAERFKEQKTIFEAGGGFVQDRSIYEDTGIFAKMHADKGTMSKVDYKTYTSLFEAMV---MTPYFPHPDVLIYLEGDLENILNRIEQRGREMELQTSRSYWEEMHTRYENWISGF-NACPVLKLRIEDYDLLNDENSIENIVDQIASVIHDNQKK
2JAQ Chain:A ((1-201))
---------MKIAIFGTVGAGKSTISAEISKKLGYEIFKEPVEENPYFEQYYKDLKKTVFKMQIYMLTARSKQLK-------NIIFDRTLLED-PIFMKVNYDLNNVDQTDYNTYIDFYNNVVLEN----KLSFDIVIYLRVSTKTAISRIKKRGRSEELLIGEEYWETLNKNYEEFYKQNVYDFPFFVVDAEL-D---VKTQIELIMNKLNSI-------
General information:
TITO was launched using:
RESULT:
Template:
2JAQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -80077 for 1413 contacts (-56.7/contact) +
2D Compatibility (PS) -19692 + (NN) -5467 + (LL) 1772
1D Compatibility (HY) -17600 + (ID) 3200
Total energy: -124264.0 ( -87.94 by residue)
QMean score : 0.524
(partial model without unconserved sides chains):
PDB file :
Tito_2JAQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2JAQ-query.scw
PDB file :
Tito_Scwrl_2JAQ.pdb
: