Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLTMKDIIRDGHPTLRQKAAELELPLTKEEKETLIAMREFLVNSQDEEIAKRYGLRSGVGLAAPQINISKRMIAVLIPD-DGSGKSYDY--MLVNPKIVSHSVQEAYLPTGEGCLSVDDNVAGLVHRHNRITIKAKDIEGNDIQLRLKGYPAIVFQHEIDHLNGVMFYDHIDKNHPLQPHTDAVEV
2AIE Chain:P ((13-193))
LIDMCDIIREGNPSLRTVAEEVTFPLSDQEIILGEKMMQFLKHSQDPVMAEKMGLRGGVGLAAPQLDISKRIIAVLVPNI----EAYDLEAIMYNPKIVSHSVQDAALGEGEGCLSVDRNVPGYVVRHARVTVDYFDKDGEKHRIKLKGYNSIVVQHEIDHINGIMFYDRINEKDPF---------
General information:
TITO was launched using:
RESULT:
Template:
2AIE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -83295 for 1304 contacts (-63.9/contact) +
2D Compatibility (PS) -17774 + (NN) -3048 + (LL) 184
1D Compatibility (HY) -19600 + (ID) 4650
Total energy: -128183.0 ( -98.30 by residue)
QMean score : 0.761
(partial model without unconserved sides chains):
PDB file :
Tito_2AIE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AIE-query.scw
PDB file :
Tito_Scwrl_2AIE.pdb
: