Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRLLVLFCCLWLLPGVASAAPSVGEIRVVS-ETWTRYTQED----GRGVAWDLLRAVYEPAGVRLRIANEP-YTRAVGLVLRGEADAWVGAYRGEIDE--ALYPRWPYDVDPIAVLSLKDNP-PPPLEGLSRFRLSWMRGYAFARYFPT---LTPHSELQRRTSALPMLLNHRVDYFIDSRPELEEMLAGAGALAAEYRI-TD--VTRLPLYLGFSDSPRGRELLALFDRRMRQLHASGELERIFARWNWPYAPLKAILPPKE
3MPK Chain:A ((29-251))
--------------------ADHPVVKVAVLNLFAPFTLFRTDEQFGGISAAVLQLLQLRTGLDFEIIGVDTVEELIAKLRSGEADMAGALFVNSARESFLSFSR-PYVRNGMVIVTRQDPDAPVDADHLDGRTVALVRNSAAIPLLQRRYPQAKVVTADNPSEAMLMVANGQADAVVQTQISASYYVNRYF--AGKLRIASALDLPPAEIALATTRG--QTELMSILNKALYSISN-DELASIISRWR--------------
General information:
TITO was launched using:
RESULT:
Template:
3MPK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -121632 for 1662 contacts (-73.2/contact) +
2D Compatibility (PS) -22820 + (NN) -11294 + (LL) 3412
1D Compatibility (HY) -9200 + (ID) 1700
Total energy: -163234.0 ( -98.22 by residue)
QMean score : 0.319
(partial model without unconserved sides chains):
PDB file :
Tito_3MPK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3MPK-query.scw
PDB file :
Tito_Scwrl_3MPK.pdb
: