Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSAIERITKAAHLIDMNDIIREGNPTLRTVAEEVTFPLSDQEIILGEKMMQFLKHSQDPVMAEKMGLRGGVGLAAPQLDISKRIIAVLVPNIVEEGETPQEAYDLEAIMYNPKIVSHSVQDAALGEGEGCLSVDRNVPGYVVRHARVTVDYFDKDGEKHRIKLKGYNSIVVQHEIDHINGIMFYDRINEKDPFAVKDGLLILE
2AIE Chain:P ((2-203))
-SAIERIVKAAHLIDMCDIIREGNPSLRTVAEEVTFPLSDQEIILGEKMMQFLKHSQDPVMAEKMGLRGGVGLAAPQLDISKRIIAVLVPNI--------EAYDLEAIMYNPKIVSHSVQDAALGEGEGCLSVDRNVPGYVVRHARVTVDYFDKDGEKHRIKLKGYNSIVVQHEIDHINGIMFYDRINEKDPFAVKDGLLILE
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) -110577 for 1528 contacts (-72.4/contact) +
2D Compatibility (PS) -20330 + (NN) -3642 + (LL) 572
1D Compatibility (HY) -28800 + (ID) 9550
Total energy: -172327.0 ( -112.78 by residue)
QMean score : 0.499
(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
: