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 ((13-197))
LIDMCDIIREGNPSLRTVAEEVTFPLSDQEIILGEKMMQFLKHSQDPVMAEKMGLRGGVGLAAPQLDISKRIIAVLVPNI------EAYDLEAIMYNPKIVSHSVQDAALGEGEGCLSVDRNVPGYVVRHARVTVDYFDKDGEKHRIKLKGYNSIVVQHEIDHINGIMFYDRINEKDPFAVKD-----
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) -79005 for 1306 contacts (-60.5/contact) +
2D Compatibility (PS) -17954 + (NN) -3360 + (LL) 144
1D Compatibility (HY) -18800 + (ID) 4600
Total energy: -123575.0 ( -94.62 by residue)
QMean score : 0.717
(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
: