Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGHSNKAADRNSHESRKSYMVNLFGDQWKKANQIYQQYLDNALLQNITLNQGVEKMLQTLKSHNIYLAIVSNKKNINLREEVTYFKLDSYFKRVVGSCDTAEDKPSAIPLLFALEESRLPIDRENVFFVGDSITDILCAQNANCLPIIYGQPISG------YEDLLCFQHFDKLTDFIMKYLKDR
2HSZ Chain:A ((111-242))
--------------------------------------------NISRLYPNVKETLEALKAQGYILAVVTNKPTKHVQPILTAFGIDHLFSEMLGGQSLPEIKPHPAPFYYLCGKFGLYP-K-QILFVGDSQNDIFAAHSAGCAVVGLTYGYNYNIPIAQSKPDWIFDDFADILKITQ------
General information:
TITO was launched using:
RESULT:
Template:
2HSZ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -77766 for 930 contacts (-83.6/contact) +
2D Compatibility (PS) -13980 + (NN) -9619 + (LL) 3256
1D Compatibility (HY) -9600 + (ID) 1600
Total energy: -109309.0 ( -117.54 by residue)
QMean score : 0.433
(partial model without unconserved sides chains):
PDB file :
Tito_2HSZ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2HSZ-query.scw
PDB file :
Tito_Scwrl_2HSZ.pdb
: