Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLIIRNKQELKEVILKQKQANKTIGFVPTMGFLHEGHMTLVSHARK-ESDFVVMSVFVNPTQFGPNEDFDAYPRDEAHDAKLAEEGGVDILFVPTVEEIYPTELSTKLHVDKRVSVLDGADREGHFDGVVTVLTKLFHLVSPDNAYFGQKDAQQVAVVSGLVEDYFFPVNLRIIATVREADGLAKSSRNVYLTEKERKEAPVIHEALQLGRKLIESGETNQAKIVQMMTEKINEQTSHELIAYLAIYSYPEFTPVTDWSKGIIIAAAVKYSKARLIDNELINVKRR
3IUB Chain:A ((19-207))
--------DVADVSRALRLTGRRVMLVPTMGALHEGHLALVRAAKRVPGSVVVVSIFVNPMQFGAGGDLDAYPRTPDDDLAQLRAEGVEIAFTPTTAAMYPDGLRTTVQPGPLAAELEGGPRPTHFAGVLTVVLKLLQIVRPDRVFFGEKDYQQLVLIRQLVADFNLDVAVVGVPTVREADGLAMSSRNRYLDPAQR-----------------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3IUB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -102398 for 1423 contacts (-72.0/contact) +
2D Compatibility (PS) -20459 + (NN) -10888 + (LL) 8928
1D Compatibility (HY) -16000 + (ID) 4050
Total energy: -144867.0 ( -101.80 by residue)
QMean score : 0.523
(partial model without unconserved sides chains):
PDB file :
Tito_3IUB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IUB-query.scw
PDB file :
Tito_Scwrl_3IUB.pdb
: