Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
--MLGQPTRAQLAALVDHTLLKPETTRADVAALVAEAAEL--GVYAVCVSPSMVPVAVQAGG------VRVAAVTGFPSGKHVSSVKAHEAAAALASGASEIDMVIDIGAALCGDIDAVRSDIEAVRAAAA--GAVLKVIVESAVLLGQSNAHTLVDACRAAEDAGADFVKTSTGCHPAGGATVRAVELMAETVGP-----RLGVKASGGIRTAADAVAMLNAGATRLGLS---------GTRAVLDGLS------
1JCL Chain:A ((1-252))
HMTDLKASSLRALKLMDLTTLNDDDTDEKVIALCHQAKTPVGNTAAICIYPRFIPIARKTLKEQGTPEIRIATVTNFPHGNDDIDIALAETRAAIAYGADEVDVVFPYRALMAGNEQVGFDLVKACKEACAAANVLLKVIIETGEL---KDEALIRKASEISIKAGADFIKTSTG-KVAVNATPESARIMMEVIRDMGVEKTVGFKPAGGVRTAEDAQKYLAIADELFGADWADARHYRFGASSLLASLLKALGHG
General information:
TITO was launched using:
RESULT:
Template:
1JCL.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -126920 for 1911 contacts (-66.4/contact) +
2D Compatibility (PS) -24591 + (NN) -10195 + (LL) 180
1D Compatibility (HY) -11200 + (ID) 3550
Total energy: -176276.0 ( -92.24 by residue)
QMean score : 0.543
(partial model without unconserved sides chains):
PDB file :
Tito_1JCL.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1JCL-query.scw
PDB file :
Tito_Scwrl_1JCL.pdb
: