Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLGRLRGGYQVEGREVTPTQLLERLGFRRDQLSARVDDLSGGQRRRLQLMLTLLSEPNVLLLDEPTNDVDTEMLTATEDLLDSWAGTLIVVSHDRYLLERVTDQQYAILDDRLRHLPGGIDEYLQLAARVSAPAPAERPAPPAMSGAQRRATEKELAAVDRQLARLADRVAAKHTELAEHDQSDHVGITRLTQQLRVLQDHVAAMENRWLELSEMLE
2IW3 Chain:A ((522-635))
----------VGTKEAIKDKLIE-FGFTDEMIAMPISALSGGWKMKLALARAVLRNADILLLDEPTNHLDTVNVAWLVNYLNTCGITSITISHDSVFLDNVCEYIINYEGLKLRKYKGNFTEFVK--------------------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
2IW3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -31969 for 728 contacts (-43.9/contact) +
2D Compatibility (PS) -12644 + (NN) -8058 + (LL) 8772
1D Compatibility (HY) -10800 + (ID) 1750
Total energy: -56449.0 ( -77.54 by residue)
QMean score : 0.482
(partial model without unconserved sides chains):
PDB file :
Tito_2IW3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IW3-query.scw
PDB file :
Tito_Scwrl_2IW3.pdb
: