Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGDTPFKATSMEDLNDTISKIINYRFKNDAILEEALTHPSLNKRNSKNQIENYERLEFLGDSILNMIVSAILFRLFPKEKEGALARRKTDLVCGNTIANVAKEIKLGNFIIMNNSERCNGGKRNLKNLENALEALIGAIYIDGGF-AN-VKKFVTKHWEERAKGMLS---LPQDPKTSLQEWTQKNKLPLPEYELMKQTGPAHSPEFTISICIENYGKVFACASSKKVAEQKAAELMLEKINNSEKTI
2NUG Chain:A ((5-218))
---------------EQLEKKLGYTFKDKSLLEKALTHVSYSKK------EHYETLEFLGDALVNFFIVDLLVQYSPNKREGFLSPLKAYLISEEFFNLLAQKLELHKFI------RIKRGKINETIIGDVFEALWAAVYIDSGRDANFTRELFYKLFKEDILSAIKEGRVKKDYKTILQEITQKRWKERPEYRLISVEGPHHKKKFIVEAKIKEY-RTLGEGKSKKEAEQRAAEELIKLLE------
General information:
TITO was launched using:
RESULT:
Template:
2NUG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -93688 for 1526 contacts (-61.4/contact) +
2D Compatibility (PS) -23073 + (NN) -13379 + (LL) 1240
1D Compatibility (HY) -16400 + (ID) 3850
Total energy: -149150.0 ( -97.74 by residue)
QMean score : 0.550
(partial model without unconserved sides chains):
PDB file :
Tito_2NUG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2NUG-query.scw
PDB file :
Tito_Scwrl_2NUG.pdb
: