Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MYKRLFISRVILIFALILVISTPNVLAESQPDPMPDDLHKSSEFTGTMGNMKYLYDDHYVSATKVKSVDKFLAHDLIYNISDKKLKNYDKVKTELLNEDLAKKYKDEVVDVYGSNYYVNCYFSSKDNVGKVTGGKTCMYGGITKHEGNHFDNGNLQNVLVRVYENKRNTISFEVQTDKKSVTAQELDIKARNFLINKKNLYEFNSSPYETGYIKFIENNGNTFWYDMMPAPGDKFDQSKYLMMYNDNKTVDSKSVKIEVHLTTKNG
2AQ2 Chain:B ((2-235))
----------------------------SQPDPMPDDLHKSSEFTGTMGNMKYLYDDHYVSATKVKSVDKFLAHDLIYNISDKKLKNYDKVKTELLNEDLAKKYKDEVVDVYGSNYYVNCYFSSKDNV--WWPGKTCMYGGITKHEGNHFDNGNLQNVLVRVYENKRNTISFEVQTDKKSVTAQELDIKARNFLINKKNLYEFNSSPYETGYIKFIENNGNTFWYDMMPAPGDKFDQSKYLMMYNDNKTVDSKSVKIEVHLTTK--
General information:
TITO was launched using:
RESULT:
Template:
2AQ2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -50709 for 1821 contacts (-27.8/contact) +
2D Compatibility (PS) -25859 + (NN) -16818 + (LL) 3112
1D Compatibility (HY) -32400 + (ID) 11550
Total energy: -134224.0 ( -73.71 by residue)
QMean score : 0.673
(partial model without unconserved sides chains):
PDB file :
Tito_2AQ2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AQ2-query.scw
PDB file :
Tito_Scwrl_2AQ2.pdb
: