Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGDTPFKATSMEDLNDTISKIINYRFKNDAILEEALTHPSLNKRNSKNQIENYERLEFLGDSILNMIVSAILFRLFPKEKEGALARRKTDLVCGNTIANVAKEIKLGNFIIMNNSERCNGGKRNLKNLENALEALIGAIYIDGGFAN--VKKFVTKHWEERAKGML---SLPQDPKTSLQEWTQKNKLPLPEYELMKQTGPAHSPEFTISICIENYGKVFACASSKKVAEQKAAELMLEKINNSEKTI
2NUG Chain:A ((3-218))
-------------MLEQLEKKLGYTFKDKSLLEKALTHVSYSK------KEHYETLEFLGDALVNFFIVDLLVQYSPNKREGFLSPLKAYLISEEFFNLLAQKLELHKFIRIKRG------KINETIIGDVFEALWAAVYIDSGRDANFTRELFYKLFKEDILSAIKEGRVKKDYKTILQEITQKRWKERPEYRLISVEGPHHKKKFIVEAKIKEY-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) -90831 for 1554 contacts (-58.4/contact) +
2D Compatibility (PS) -23012 + (NN) -11825 + (LL) 548
1D Compatibility (HY) -16000 + (ID) 3650
Total energy: -144770.0 ( -93.16 by residue)
QMean score : 0.516
(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
: