Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKEHHIPKNSIITVAGTVGVGKSTLTKTLAKRLGFKTSLEEVDHNPYLEKFYHDFERWSFHLQIYFLAERFKEQKTIFEAGGGFVQDRSIYEDTGIFAKMHADKGTMSKVDYKTYTSLFEAMVMTPYFPHP---DVLIYLEGDLENILNRIEQRGREMELQTSRSYWEEMHTRYENWISGFNACPVLKLRIEDYDLLNDENSIENIVDQIASVIHDNQKK
2JAS Chain:E ((4-169))
-----------IAIFGTVGAGKSTISAEISKKLGYEIFKEPVEENPYFEQYYKDLKKTVFKMQIYMLTARSKQLKQA-KNLENIIFDRTLLEDP-IFMKVNYDLNNVDQTDYNTYIDFYNNVVLENL----LSFDIVIYLRVSTKTAISRIKKRGRSEELLIGEEYWETLNKNYEEF-------------------------------------------
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) -38615 for 1128 contacts (-34.2/contact) +
2D Compatibility (PS) -17042 + (NN) -4697 + (LL) 3328
1D Compatibility (HY) -15600 + (ID) 2850
Total energy: -75476.0 ( -66.91 by residue)
QMean score : 0.462
(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
: