Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAVLAESELGSEAQRERRKRILDATMAIASKGGYEAVQMRAVADRADVAVGTLYRYFPSKVHLLVSALGREFSRIDAKTDRSAV-AGATPFQRLNFMVGKLNRAMQRNPLLTEAMTRAYV---------FADASAASEVDQVEKLIDSMFARAMANGEPTE--DQYHIARVISDVWLSNLLAWLTRRAS---ATDVSKRLDLAVRLLIGDQDSA-
2UXU Chain:A ((5-210))
---------TKEEAQETRAQIIEAAERAFYKRGVARTTLADIAELAGVTRGAIYWHFNNKAELVQALLDSLHETHDHLARASESEDEVDPLGCMRKLLLQVFNELVLDARTRRINEILHHKCEFTDDMCEIRQQRQSAVLDCHKGITLALANAVRRGQLPGELDAERAAVAMFAYVDGLIRRWLLLPDSVDLLGDVEKWVDTGLDMLRLSPALRK
General information:
TITO was launched using:
RESULT:
Template:
2UXU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -70922 for 1348 contacts (-52.6/contact) +
2D Compatibility (PS) -21207 + (NN) -14759 + (LL) 1220
1D Compatibility (HY) -3200 + (ID) 1800
Total energy: -110668.0 ( -82.10 by residue)
QMean score : 0.544
(partial model without unconserved sides chains):
PDB file :
Tito_2UXU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2UXU-query.scw
PDB file :
Tito_Scwrl_2UXU.pdb
: