Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTKRQMGIFIYAGIIGGLLSGIVKLGWEVMFPPRTPERNATNPPQELLQQLGFSSEFTHQTYTFSNMELPWVSFIVHFSFSIVIAIIYCILVKKYAYLAIGQGAVFGIAIWVLFHLIIMPIMHTVPAVWDQPYQEHLSEFFGHIVWMMTIELVRQHFVYRYKLN---
4HEA Chain:A ((1-117))
MAPIQEYVGTLIYVGVALFIGVAALLVGALLGPKKPGRAKLMPYESGNDPAGEVKRFP-----------------VHFYVVAMLFILFDVEVAFLWPYAVSAGGL---------------------------------GLYGFLGVLAFTLLLFVGFLYEWWKGVMR
General information:
TITO was launched using:
RESULT:
Template:
4HEA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -37998 for 579 contacts (-65.6/contact) +
2D Compatibility (PS) -10500 + (NN) 11130 + (LL) 4716
1D Compatibility (HY) 10800 + (ID) 300
Total energy: -22152.0 ( -38.26 by residue)
QMean score : -0.015
(partial model without unconserved sides chains):
PDB file :
Tito_4HEA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4HEA-query.scw
PDB file :
Tito_Scwrl_4HEA.pdb
: