Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MESVETNKNLPIEYRSEQGRLNILGFWIFLGAEIALFATLFATYFVMRKAGS-------NAGHPP-A-EMFELW-LVLIMTFLLLTSSFTCGLAIGEMRK-GNVKMLTIYSIITLILGAGFVGFELYEFAHYVTEGVTMQVGSYWSAFFVLLGTHGLHVTVGIFWISFILIQIKMHGLTPKTASKVFISSLYWHFLDVVWIFIFTGVYLLGMVN
1QLE Chain:C ((75-273))
----------TGEHTPVVRIGLQYGFILFIMSEVMFFVAWFWAFIKNALYPMGPDSPIKDGVWPPEGIVTFDPWHLPLINTLILLLSGVAVTWAHHAFVLEGDRKTTINGLIVAVILGVCFTGLQAYEYSHAA---FGLADTVYAGAFYMATGFHGAHVIIGTIFLFVCLIRLLKGQMTQKQHVGFEAAAWYWHFVDVVWLFLFVVIYIWGR--
General information:
TITO was launched using:
RESULT:
Template:
1QLE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -195768 for 1368 contacts (-143.1/contact) +
2D Compatibility (PS) -18836 + (NN) -1158 + (LL) 808
1D Compatibility (HY) -15600 + (ID) 2750
Total energy: -233304.0 ( -170.54 by residue)
QMean score : 0.299
(partial model without unconserved sides chains):
PDB file :
Tito_1QLE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1QLE-query.scw
PDB file :
Tito_Scwrl_1QLE.pdb
: