Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSAIERITKAAHLIDMNDIIREGNPTLRTVAEEVTFPLSDQEIILGEKMMQFLKHSQDPVMAEKMGLRGGVGLAAPQLDISKRIIAVLVPNIVEEGETPQEAYDLEAIMYNPKIVSHSVQDAALGEGEGCLSVDRNVPGYVVRHARVTVDYFDKDGEKHRIKLKGYNSIVVQHEIDHINGIMFYDRINEKDPFAVKDGLLILE
2AIA Chain:A ((2-203))
-SAIERISKAAHLIDMCDIIREGNPSLRTVAEEVTFPLSDQEIILGEKMMQFLKHSQDPVMAEKMGLRGGVGLAAPQLDISKRIIAVLVPN----------AYDLEAIMYNPKIVSHSVQDAALGEGEGCLSVDRNVPGYVVRHARVTVDYFDKDGEKHRIKLKGYNSIVVQHEIDHINGIMFYDRINEKDPFAVKDGLLILE
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) -110085 for 1522 contacts (-72.3/contact) +
2D Compatibility (PS) -20177 + (NN) -3547 + (LL) 880
1D Compatibility (HY) -28400 + (ID) 9450
Total energy: -170779.0 ( -112.21 by residue)
QMean score : 0.470
(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
: