Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQFEHLVQVNDRTLVDLPVLDRLQLWEGLVCRAREPQYFVVGLERFEILVDD-GDRLHRRLYL-PG---LVVEDEVVL-KA-PDSAHYSIKPSAEV-AGGSLDMTIEEPE--PGS--LFVRFAYCTRYLQPLGDELPYDAFVKQAYIAMDVETIATIRDRFGASAASGS
3KL1 Chain:A ((47-185))
---------------------ASVVWPLIRRF-DNPERYKHFVKRCRLISGDGDVGSVREVTVISGLPASTSTERLEFVDDDHRVLSFRVVGGEHRLKNYKSVTSVNEFLNDSGKVYTVVLESYTVDIPEG-NTEE----DTKMFVDTVVKLNLQKLGVAATSAPM---
General information:
TITO was launched using:
RESULT:
Template:
3KL1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -47803 for 821 contacts (-58.2/contact) +
2D Compatibility (PS) -13458 + (NN) -353 + (LL) 2188
1D Compatibility (HY) 1200 + (ID) 600
Total energy: -58826.0 ( -71.65 by residue)
QMean score : 0.244
(partial model without unconserved sides chains):
PDB file :
Tito_3KL1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KL1-query.scw
PDB file :
Tito_Scwrl_3KL1.pdb
: