Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLLEIKDLVYKASDRIILDHISLKVDKGESIAIIGPSGSGKSTFQKQICNLISPTSGELYFKGKPYNDYDPEELRQRISYLMQQSDLFGETIEDNMIFPSL-ARNDKFDRKRAKQLIKDVGLG-----HYQLSSEVENMSGGERQRIAIARQLMYTPDILLLDESTSALDVNNKEKIENIIFKLVEQDVAIMWITHSDDQSMRHFQKRITIVDGKISKVEELNQHE
3NH9 Chain:A ((64-244))
-----------ADGRETLQDVSFTVMPGQTLALVGPSGAGKSTILRLLFRFYDISSGCIRIDGQDISQVTQASLRSHIGVVPQDTVLFNDTIADNIRYGRVTAGNDEVEAAAQAAGIHDAIMAFPEGYRTQVGERGLKLSGGEKQRVAIARTILKAPGIILLDEATSALDTSNERAIQASLAKVCANRTTIV----------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3NH9.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -47142 for 1227 contacts (-38.4/contact) +
2D Compatibility (PS) -18486 + (NN) -4267 + (LL) 3988
1D Compatibility (HY) -12800 + (ID) 2950
Total energy: -81657.0 ( -66.55 by residue)
QMean score : 0.409
(partial model without unconserved sides chains):
PDB file :
Tito_3NH9.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NH9-query.scw
PDB file :
Tito_Scwrl_3NH9.pdb
: