Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLTMKDIIRDGHPTLRQKAAELELPLTKEEKETLIAMREFLVNSQDEEIAKRYGLRSGVGLAAPQINISKRMIAVLIPDDGSGKSYDY----MLVNPKIVSHSVQEAYLPTGEGCLSVDDNVAGLVHRHNRITIKAKDIEGNDIQLRLKGYPAIVFQHEIDHLNGVMFYDHIDKNHPLQPHTDAVEV
2AIA Chain:A ((13-197))
LIDMCDIIREGNPSLRTVAEEVTFPLSDQEIILGEKMMQFLKHSQDPVMAEKMGLRGGVGLAAPQLDISKRIIAVLVPN-------AYDLEAIMYNPKIVSHSVQDAALGEGEGCLSVDRNVPGYVVRHARVTVDYFDKDGEKHRIKLKGYNSIVVQHEIDHINGIMFYDRINEKDPFAVKD-----
General information:
TITO was launched using:
RESULT:
Template:
2AIA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -77355 for 1307 contacts (-59.2/contact) +
2D Compatibility (PS) -17862 + (NN) -3456 + (LL) 236
1D Compatibility (HY) -19200 + (ID) 4600
Total energy: -122237.0 ( -93.52 by residue)
QMean score : 0.700
(partial model without unconserved sides chains):
PDB file :
Tito_2AIA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AIA-query.scw
PDB file :
Tito_Scwrl_2AIA.pdb
: