Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNTAPFIAIEGPIGAGKTTLATMLSQKFGFPMINEIVEDNPYLDKFYDNIKEWSFQLEMFFLCHRYKQLEDTSDHFLKKGQPVIADYHIYKNVIFAERTL-----SPHQLEKYKKIYHLLT---DDLPKPNFIIYIKASLPTLLHRIEKRGRPFEKKIETSYLEQLISDYEVAIKQLQEADPELTVLTVDGDSKDFVLNKSDFERIAAHVKELIV
2JAQ Chain:A ((1-199))
----MKIAIFGTVGAGKSTISAEISKKLGYEIFKEPVEENPYFEQYYKDLKKTVFKMQIYMLTARSKQLK-----------NIIFDRTLLEDPIFMKVNYDLNNVDQTDYNTYIDFYNNVVLEN--KLSFDIVIYLRVSTKTAISRIKKRGRSEELLIGEEYWETLNKNYEEFYKQ---NVYDFPFFVVDAELD----VKTQIELIMNKLN----
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) -90828 for 1337 contacts (-67.9/contact) +
2D Compatibility (PS) -19382 + (NN) -13844 + (LL) 1972
1D Compatibility (HY) -15600 + (ID) 2800
Total energy: -140482.0 ( -105.07 by residue)
QMean score : 0.643
(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
: