Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRIYTKTGDKGMTRIIGGSKVSKDNIRIDAYGTLDELNSLIGYTITTLGAEPEIQA-ELEQIQQQLFDAGGDLAT--EEGKRAYKLTSE-PVAWLEDRIDIYADEPPEIEKFILPGGTQAASLLHMARTVTRRAEREIVGMLKIASSNEEVLKYVNRLSDYFFAVARVVNYRAGETDIFYKNSELVFRNKKK
2NT8 Chain:A ((37-217))
-KIYTKNGDKGQTRIIGKQILYKNDPRVAAYGEVDELNSWVGYTKSLINSHTQVLSNELEEIQQLLFDCGHDLATPADDERHSFKFKQEQPTVWLEEKIDNYTQVVPAVKKFILPGGTQLASALHVARTITRRAERQIVQLMREEQINQDVLIFINRLSDYFFAAARYANYLEQQPDMLYRN----------
General information:
TITO was launched using:
RESULT:
Template:
2NT8.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -54833 for 1354 contacts (-40.5/contact) +
2D Compatibility (PS) -19092 + (NN) -9921 + (LL) 996
1D Compatibility (HY) -16000 + (ID) 4700
Total energy: -103550.0 ( -76.48 by residue)
QMean score : 0.503
(partial model without unconserved sides chains):
PDB file :
Tito_2NT8.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2NT8-query.scw
PDB file :
Tito_Scwrl_2NT8.pdb
: