Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSRKPLIAGNWKMNLNHYEAIALVQKIAFSLPDKYYDRVDVAVIPPFTDLRSVQTLVDGDKLRLTYGAQDLSPHDSGAYTGDVSGAFLAKLGCSYVVVGHSERRTYHNEDDALVAAKAATALKHGLTPIVCIGEHLDVREAGNHVAHNIEQLRGSLAGLLAEQIGSVVIAYEPVWAIGTGRVASAADAQEVCAAIRKELASLASPRIADTVRVLYGGSVNAKNVGDIVAQDDVDGGLVGGASLDGEHFATLAAIAAGGPLP
1YYA Chain:A ((1-249))
-MRRVLVAGNWKMHKTPSEARVWFAELKRLLP---PLQSEAAVLPAFPILPVAKEVLA--ETQVGYGAQDVSAHKEGAYTGEVSARMLSDLGCRYAIVGHSERRRYHGETDALVAEKAKRLLEEGITPILCVGEPLEVREKGEAVPYTLRQLRGSLEGVEPPGPEALVIAYEPVWAIGTGKNATPEDAEAMHQAIRKALSERYGEAFASRVRILYGGSVNPKNFADLLSMPNVDGGLVGGASLELESFLALLRIA------
General information:
TITO was launched using:
RESULT:
Template:
1YYA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -163188 for 2185 contacts (-74.7/contact) +
2D Compatibility (PS) -27630 + (NN) -17270 + (LL) -264
1D Compatibility (HY) -21200 + (ID) 6200
Total energy: -235752.0 ( -107.90 by residue)
QMean score : 0.548
(partial model without unconserved sides chains):
PDB file :
Tito_1YYA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1YYA-query.scw
PDB file :
Tito_Scwrl_1YYA.pdb
: