Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQGPRERMVVSAALLIRERGAHATAISDVLQHSGAPRGSAYHYFPGGRTQLLCEAVDYAGEHVAAMINEAEG---GL-ELLDALIDKYRQQLLSTDFRAGCPIAAVSVEAGDEQDRERMAPVIARAAAVFDRWSDL----TAQRFIADGIP-PDRAHELAVLATSTLEGAILLARVRRDLTPLDLVHRQLRNLLLAELPERSR
3KNW Chain:A ((13-199))
-EAKRQHILDSGFHLVLRKGFVGVGLQEILKTSGVPKGSFYHYFE-SKEAFGCELLKHYISDYQIRLNQLWTTETSARDKLMNYLQCWVKD-------ESCLIVKMAAEVAD-----LSEDMRLIMNDGVKRLIARMADLIRIGQQEGSIQTSVVPDVLAQVIYQMYLGAALLSKLYKHKAPLFQALESTKMM----------
General information:
TITO was launched using:
RESULT:
Template:
3KNW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -80030 for 1147 contacts (-69.8/contact) +
2D Compatibility (PS) -18690 + (NN) -13738 + (LL) 1832
1D Compatibility (HY) -5600 + (ID) 1600
Total energy: -117826.0 ( -102.73 by residue)
QMean score : 0.420
(partial model without unconserved sides chains):
PDB file :
Tito_3KNW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KNW-query.scw
PDB file :
Tito_Scwrl_3KNW.pdb
: