Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSKQFAVDFIEASREEASAILEFLNTVTEETDFILHTVSNQLSLSEMETFIENTLMTKNCICLIAKLKNKVIGLITIISQSDIEI-EHVGDLFIAVQKDYWGYGIGHILMEEAIEWASDNDITRRLELSVQGRNERAIHLYQKFGFEIDGLQTRGIKRENGEFLDIYRMSKLID
2AE6 Chain:A ((4-164))
--MSTSLTIRLVAEADWPALHALDQII------------------SLAAYQEKMK---DETIFVAISGQQLAGFIEVHPPTSLAAHQKQWLLSIGVSPDFQDQGIGGSLLSYIKDMAEIS-GIHKLSLRVMATNQEAIRFYEKHGFVQEAHFKEEFY-INGHYCDDYQYAYFI-
General information:
TITO was launched using:
RESULT:
Template:
2AE6.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -110176 for 981 contacts (-112.3/contact) +
2D Compatibility (PS) -15841 + (NN) -3607 + (LL) 1796
1D Compatibility (HY) -5600 + (ID) 1450
Total energy: -134878.0 ( -137.49 by residue)
QMean score : 0.568
(partial model without unconserved sides chains):
PDB file :
Tito_2AE6.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AE6-query.scw
PDB file :
Tito_Scwrl_2AE6.pdb
: