Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQVKKNRINEFITAKEVRLVDHNGEMVGVVSIGRALTFAQNVGLDLVEVAPDSIPPVCKILDYSKQKYDAKKKASEAKKKQKTLTIKEIKLGPNIGDHDYETKLRHARDFLTHGHKIKVTMKFKGRELINTEVGLEKLERLIRDTEDIAKIESAP-KREGNQYFLALTTK
2IFE Chain:A ((95-177))
---------------------------------------------------------------------------------------EIKFRPGTDEGDYQVKLRSLIRFLEEGDKAKITLRFRGREMAHQQIGMEVLNRVKDDLQELAVVESFPTKIEGRQMIMVLAPK
General information:
TITO was launched using:
RESULT:
Template:
2IFE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -18034 for 585 contacts (-30.8/contact) +
2D Compatibility (PS) -8962 + (NN) -4388 + (LL) 6656
1D Compatibility (HY) -6400 + (ID) 1700
Total energy: -32828.0 ( -56.12 by residue)
QMean score : 0.562
(partial model without unconserved sides chains):
PDB file :
Tito_2IFE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IFE-query.scw
PDB file :
Tito_Scwrl_2IFE.pdb
: