Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNYIKNPAKIEEKSFEIIQQIIDDIRPDYTFQNKLEEAIIKRAIHTTADFDYLDSLVFQQDAIAKIIHVLQNKGTIFTDTNMALSGINKRLLDELGCKYHCYVSDPETMEIAKQHGITRSMAGIKLASLK--DGPKLFVLGNAPTAVYKIIEMVESGQLQADAVVAVPVGFVGAAECKEEILE------TDIPAIVARGRKGGSNLAAAIINAILITM
2AFR Chain:A ((6-216))
-QITNLGRNIENKSFSIIDEEAGPH----SF-AQEEWEVVRRIIHATADFDYKNITKIHPQAIDSGIQALKKGCPIVCDVQMILSGLNPERLKVYGCKTYCFISDEDVIENAKRKNSTRAIESIQKANSFNLLNESIIVIGNAPTALLEIEKLIRQEGIKPALIVGVPVGFVSAKESKESILKLEYYNVTSIPYILTMGRKGGSTIAVAILHALLLL-
General information:
TITO was launched using:
RESULT:
Template:
2AFR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -159000 for 1708 contacts (-93.1/contact) +
2D Compatibility (PS) -22680 + (NN) -9856 + (LL) 512
1D Compatibility (HY) -15200 + (ID) 3950
Total energy: -210174.0 ( -123.05 by residue)
QMean score : 0.722
(partial model without unconserved sides chains):
PDB file :
Tito_2AFR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AFR-query.scw
PDB file :
Tito_Scwrl_2AFR.pdb
: