Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
--------------MRDRILAAVCDVLYIDEADLIDGDETDLRDLGLDSVRFVLLMKQLGVNRQSELPSRLAAN-PSIAGWLRELEAVCTEFG
2AFE Chain:A ((1-88))
GSHMKTIQPASVEDIQSWLIDQFAQQLDVDPDDI--DMEESFDNYDLNSSKALILLGRLEKWLGKELNPVLIFNYPTIAQLAKRLGELYL---
General information:
TITO was launched using:
RESULT:
Template:
2AFE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -39052 for 474 contacts (-82.4/contact) +
2D Compatibility (PS) -7809 + (NN) -4984 + (LL) 192
1D Compatibility (HY) -6000 + (ID) 800
Total energy: -58453.0 ( -123.32 by residue)
QMean score : 0.460
(partial model without unconserved sides chains):
PDB file :
Tito_2AFE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AFE-query.scw
PDB file :
Tito_Scwrl_2AFE.pdb
: