Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDISQIKAEVVTPETGIHVGEKAAPVKVMSFVNLRCPFCREWNEKSK-DVLTEYIQAGKIELIIKPFDKEK-ESLQRGNVTHRYLDYSTPEKTRETINKIYSKQDEWG-SL-SLDEVATYMESE-LGLTEQ---------DNKAASEKIVAEANAANVVFVPTVIVGEHIFDEHISPEELRSLLDDELAK
3GHA Chain:A ((17-193))
-----------SIKGQPVLGKDDAPVTVVEFGDYKCPSCKVFNSDIFPKIQKDFIDKGDVKFSFVNVMFHGKGSRLAALASEEVWK-EDPDSFWDFHEKLFEKQPDTEQEWVTPGLLGDLAK-STTKIKPETLKENLDKETFASQVEKDSDLNQKMNIQATPTIYVNDKVIKNFADYDEIKETIEKELKG
General information:
TITO was launched using:
RESULT:
Template:
3GHA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -43281 for 1263 contacts (-34.3/contact) +
2D Compatibility (PS) -17231 + (NN) -3240 + (LL) 1392
1D Compatibility (HY) -5600 + (ID) 1300
Total energy: -69260.0 ( -54.84 by residue)
QMean score : 0.604
(partial model without unconserved sides chains):
PDB file :
Tito_3GHA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3GHA-query.scw
PDB file :
Tito_Scwrl_3GHA.pdb
: