Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSITSTDICQAADALKGFVGFNRK---TGRYIVRFSEDSFGMDVAD-------DSITPTSEFVWSSVRDDVMRLGREQLQILLEQNINERLNIGEPLLVYLRRQDLPEITAQRQLR
2BQ1 Chain:E ((518-577))
---------------KTFAGFAQSRYASGDYFTQYLQDDWQPKTAKVRALFARSGITLPTREMWLKLRDDVMRYGIYNQNLQAVPPTGSISYINHATSSIHPIVAKIEIRKEGKTG
General information:
TITO was launched using:
RESULT:
Template:
2BQ1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -2050 for 206 contacts (-10.0/contact) +
2D Compatibility (PS) -5257 + (NN) -182 + (LL) 1296
1D Compatibility (HY) -3200 + (ID) 900
Total energy: -10293.0 ( -49.97 by residue)
QMean score : 0.240
(partial model without unconserved sides chains):
PDB file :
Tito_2BQ1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2BQ1-query.scw
PDB file :
Tito_Scwrl_2BQ1.pdb
: