Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MYKRLFISRVILIFALILVISTPNVLAESQPDPMPDDLHKSSEFTGTMGNMKYLYDDHYVSATKVKSVDKFLAHDLIYNISDKKLKNYDKVKTELLNEDLAKKYKDEVVDVYGSNYYVNCYFSSKDNVGKVTGGKTCMYGGITKHEGNHFDNGNLQNVLVRVYENKRNTISFEVQTDKKSVTAQELDIKARNFLINKKNLYEFNSSPYETGYIKFIENNGNTFWYDMMPAPGDKFDQSKYLMMYNDNKTVDSKSVKIEVHLTTKNG
2IPK Chain:D ((2-240))
---------------------------ESQPDPMPDDLHKSSEFTGTMGNMKYLYDDHYVSATKVKSVDSFFKWDLIYNISDKKLKNYDKVKTELLNEDLAKKYKDEVVDVYGSNYYVNCYFSSK-------GGKTCMYGGITKHEGNHFDNGNLQNVLVRVYENKRNTISFEVQTDKKSVTAQELDIKARNFLINKKNLYEFNSSPYETGYIKFIENNGNTFWYDMMPAPGDKFDQSKYLMMYNDNKTVDSKSVKIEVHLTTKNG
General information:
TITO was launched using:
RESULT:
Template:
2IPK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -42505 for 1813 contacts (-23.4/contact) +
2D Compatibility (PS) -25747 + (NN) -17448 + (LL) 3540
1D Compatibility (HY) -31600 + (ID) 11400
Total energy: -125160.0 ( -69.03 by residue)
QMean score : 0.697
(partial model without unconserved sides chains):
PDB file :
Tito_2IPK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IPK-query.scw
PDB file :
Tito_Scwrl_2IPK.pdb
: