Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MWMAGMLYLPRLYVYHATVKPGSESDSLLQTMERRFLRYIINPAMLFSLSFGIALMIIREAYREGWFHVKALALFFMFGIHGLLAMHRKKFAMGSNEKNHVYFRVLNEMVTVLIIIIVIMIVVKPF
4AOE Chain:A ((84-128))
------IWLPHIEVYNSIGKPGIHSDQLVRVYKDGTVTFVPQYTIRFSCALENVTTEQGAACTLKFGPWTYDVRDLVLDESQQVDLTTYAGGERFQLIEAKQKVNKKTYPCCPQSFEDIELRVTFK
General information:
TITO was launched using:
RESULT:
Template:
4AOE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -13216 for 183 contacts (-72.2/contact) +
2D Compatibility (PS) -4715 + (NN) -549 + (LL) 752
1D Compatibility (HY) -4400 + (ID) 600
Total energy: -22728.0 ( -124.20 by residue)
QMean score : -0.239
(partial model without unconserved sides chains):
PDB file :
Tito_4AOE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4AOE-query.scw
PDB file :
Tito_Scwrl_4AOE.pdb
: