Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
VGYYSPQEVTEITIEKGTQKANSSTLTLVLLGFLGGAFISLGYLLYIRAVGTMPHEWGSFAT-LIGASLFPVGLVCILLGGGELITGNMMAVAIAWYDKKISFQQLLRNWAIVSVMNLVGAFFVAYFFGHFVGLTE--GDFLPKTLATAGAKINDPFWVAFVSGIGCNWFVGIAVWLCYAAKDFAGKILGIWFPVMAFVAIGFQHVVANMFIIPAAIFAGYYS--------------WADF------IWNVIPVYLGNVVGGAVFVSLFYFLAYKKNAPKKVKEEIHQPIEEN
3KLZ Chain:A ((21-278))
---------------TGEGKAKKAAYKSFLLAISAGIQIGIAFVFY-TVVTTGAHDMPYGVTKLLGGLAFSLGLILVVITGGELFTSSVL-ILVAKASGKISWKELVRNWTVVYFGNLCGSIILVFIMLATRQFMEDGGQLGLNAMAISQHKLHHTFLQAFALGLMCNILVCLAVWMTFSARSLTDKVMVLILPVAMFVSSGFEHCIANMFQVPMAIGIKYFAPESFWAMTGANIAQYADLNFVNFIVNNLIPVTLGNIVGGGVFVGMWYWLIYL------------------
General information:
TITO was launched using:
RESULT:
Template:
3KLZ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -235913 for 1949 contacts (-121.0/contact) +
2D Compatibility (PS) -23737 + (NN) -5289 + (LL) 2660
1D Compatibility (HY) -30800 + (ID) 4150
Total energy: -297229.0 ( -152.50 by residue)
QMean score : 0.262
(partial model without unconserved sides chains):
PDB file :
Tito_3KLZ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KLZ-query.scw
PDB file :
Tito_Scwrl_3KLZ.pdb
: