Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIRSRQPLLDALGVDLPD-ELLSLALTHRSYAYENGGLPTNERLEFLGDAVLGLTITDALFHRHPDRSEGDLAKLRASVVNTQALADVARRLCAEGLGVHVLLGRGEANTGGADKSSILADGMESLLGAIYLQHGMEK--AREVILRLFGPLLDAAP-TLGAGLDWKTSLQELTAARGLGAPSYLVT-STGPDHDKEFTAVVVVMDSEYGSGVGRSKKEAEQKAAAAAWKALEVLDNAMPGKTSA
2NUG Chain:A ((3-218))
---MLEQLEKKLGYTFKDKSLLEKALTHVSYSK----KEHYETLEFLGDALVNFFIVDLLVQYSPNKREGFLSPLKAYLISEEFFNLLAQKLE---LHKFIRIKRG------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) -97491 for 1543 contacts (-63.2/contact) +
2D Compatibility (PS) -23523 + (NN) -14330 + (LL) 732
1D Compatibility (HY) -12400 + (ID) 3750
Total energy: -150762.0 ( -97.71 by residue)
QMean score : 0.537
(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
: