Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MALELLTPFTKVELEEKKRDTNRKQIGIMGGNFNPVHNAHLVVADQVRQQLCLDQVLLMPEFQPPHIDKKETIDEQHRLKMLELAIEGIDGLSIEPIEIERKGISYTYDTMKLLIEKNPDVDYYFIIGADMVEYLPKWHRIDELVKMVQFVGVQRPKYKAGTSYPVIWVDLPLMDISSSMIRQFIKSNRQPNYLLPKEVLDYIRKEGLYK
1KAQ Chain:B ((7-192))
-----------------------KKIGIFGGTFDPPHNGHLLMANEVLYQAGLDEIWFMPNQIPPHKQNEDYTDSFHRVEMLKLAIQSNPSFKLELVEMEREGPSYTFDTVSLLKQRYPNDQLFFIIGADMIEYLPKWYKLDELLNLIQFIGVKRPGFHVETPYPLLFADVPEFEVSSTMIRERFKSKKPTDYLIPDKVKKYVEENGLY-
General information:
TITO was launched using:
RESULT:
Template:
1KAQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -154784 for 1509 contacts (-102.6/contact) +
2D Compatibility (PS) -20400 + (NN) -14892 + (LL) 2112
1D Compatibility (HY) -20000 + (ID) 4250
Total energy: -212214.0 ( -140.63 by residue)
QMean score : 0.519
(partial model without unconserved sides chains):
PDB file :
Tito_1KAQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1KAQ-query.scw
PDB file :
Tito_Scwrl_1KAQ.pdb
: