Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKLLEERILKDGDVLGENILKVDSFLTHQVDFELMQEIGKVFADKYKEAGITKVVTIEASGIAPAVYAAQALGVPMIFAKKAKNITMTEGILTAEVYSFTKQV---TSQVSIVSRFLSNDDTVLIIDDFLANGQAAKGLLEIIGQAGAKVAGIGIVIEKSFQDGRDLLEKTGVPVTSLARIKAFENGRVVFAEADA
4MB6 Chain:A ((50-181))
---------------------------------------ELLSEHYSESGVTKVVGTEARGFLFGAPVALALGVGFVPVRKP-------GKLPRETISESYELEYGTDTLEIHTDSIQPGDKVLVVDDLLATGGTIEATVKLIRRLGGEVVHAAFIINLPELGGEARLTQQGIHCYSLVSFD--------------
General information:
TITO was launched using:
RESULT:
Template:
4MB6.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -109047 for 1051 contacts (-103.8/contact) +
2D Compatibility (PS) -14353 + (NN) -3980 + (LL) 5324
1D Compatibility (HY) -8400 + (ID) 1950
Total energy: -132406.0 ( -125.98 by residue)
QMean score : 0.605
(partial model without unconserved sides chains):
PDB file :
Tito_4MB6.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4MB6-query.scw
PDB file :
Tito_Scwrl_4MB6.pdb
: