Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MYKRLFISRVILIFALILVISTPNVLAESQPDPMPDDLHKSSEFTGTMGNMKYLYDDHYVSATKVKSVDKFLAHDLIYNISDKKLKNYDKVKTELLNEDLAKKYKDEVVDVYGSNYYVNCYFSSKDNVGKVTGGKTCMYGGITKHEGNHFDNGNLQNVLVRVYENKRNTISFEVQTDKKSVTAQELDIKARNFLINKKNLYEFNSSPYETGYIKFIENNGNTFWYDMMPAPGDKFDQSKYLMMYNDNKTVDSKSVKIEVHLTTKNG
2AQ3 Chain:B ((2-235))
----------------------------SQPDPMPDDLHKSSEFTGTMGNMKYLYDDHYVSATKVKSVDKFLAHDLIYNISDKKLKNYDKVKTELLNEDLAKKYKDEVVDVYGSNYYVNCYFSSKD--GKVTGGKTCMYGGITKHEGNHFDNGNLQNVLVRVYENKRNTISFEVQTDKKSVTAQELDIKARNFLINKKNLYEFNSSPYETGYIKFIENNGNTFWYDMMPAPGDKFDQSKYLMMYNDNKTVDSKSVKIEVHLTTK--
General information:
TITO was launched using:
RESULT:
Template:
2AQ3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -34221 for 1823 contacts (-18.8/contact) +
2D Compatibility (PS) -25745 + (NN) -12861 + (LL) 3332
1D Compatibility (HY) -32000 + (ID) 11700
Total energy: -113195.0 ( -62.09 by residue)
QMean score : 0.688
(partial model without unconserved sides chains):
PDB file :
Tito_2AQ3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AQ3-query.scw
PDB file :
Tito_Scwrl_2AQ3.pdb
: