Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKNKRSQNSPYVTPDNPYLTLEKALGYSFKDKRLLEQALTHKSCKLALNNERLEFLGDAVLGLVIGELLYHKFYQYDEGKLSKLRASIVSAHGFTKLAKAIALQDYLRVSSSEEISKGREKPSILSSAFEALMAGVYLEAGLAK--VRKIIQNLLNRAYKRLDL-EHLFMDYKTALQELTQAQFCVIPTYQLLQEKGPDHHKEFEMALYIQDKMYATAKGKSKKEAEQQCAYQALQKLKEAK
2NUG Chain:A ((3-218))
----------------MLEQLEKKLGYTFKDKSLLEKALTHVSYSKKEHYETLEFLGDALVNFFIVDLLVQYSPNKREGFLSPLKAYLISEEFFNLLAQKLELHKFIRIKRG------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) -96517 for 1566 contacts (-61.6/contact) +
2D Compatibility (PS) -23035 + (NN) -8291 + (LL) 1036
1D Compatibility (HY) -14800 + (ID) 4050
Total energy: -145657.0 ( -93.01 by residue)
QMean score : 0.434
(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
: