Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRALLLSGCLALVLLTQQAAAQTLLVVGDSISAALGLDTSQGWVALLQKRLADEGYDYRVVNASISGDTSAGGLARLPALLAEEKPALVVIELGGNDGLRGMAPAQLQQNLASMAQKARAE--GAKVLLLGIQLPPNY----------GPRYIEAFSRVYGAVAAQE-KTALVPFFLEGVG---GVQGMMQADGIHPALAAQPRLLENVWPTLKPLL
2HSJ Chain:A ((28-214))
--------------NHISVVEPNILFIGDSIVEYYP------L----QELFG---TSKTIVNRGIRGYQTGLLLENLDAHLYGGAVDKIFLLIGTNDIGKDVPVNEALNNLEAIIQSVARDYPLTEIKLLSILPVNEREEYQQAVYIRSNEKIQNWNQAYQELASAYMQVEFVPVFDCLTDQAGQLKKEYTTDGLHLSIAGYQALSKSLKDYLY---
General information:
TITO was launched using:
RESULT:
Template:
2HSJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -77414 for 1358 contacts (-57.0/contact) +
2D Compatibility (PS) -18408 + (NN) -3750 + (LL) 2528
1D Compatibility (HY) -9200 + (ID) 1750
Total energy: -107994.0 ( -79.52 by residue)
QMean score : 0.449
(partial model without unconserved sides chains):
PDB file :
Tito_2HSJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2HSJ-query.scw
PDB file :
Tito_Scwrl_2HSJ.pdb
: