Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNEAIERRDDDMTI------VSFEVEISAPIQEVFALLTTNTGLAKWFNELEVGELGADGYLLFV----------------MTPEEKITMPIRAFEPNQKLAFEWDQD------EVAFELNEITANKTRLTFTEQLTTITEHSPRDISGWHICLKKLQASAEGKIYDFNKTEFKTLFAKYQKELNIEK----
2K5G Chain:A ((1-191))
MTSPSSAFPDGHGARLDAQSIRFERLLPGPIERVWAWLADADKRARWLAGGELPRQPGQTFELHFNHAALTAETAPARYAQYDRPIVARHTLLRCEPPRVLALTWGGGAGEAPSEVLFELSE-AGEQVRLVLTHTRLADRAAMLDVAGGWHAHLAVLAGKLAGQAPPPFWTTLAQAEQDYEQRLLEHHHHHH
General information:
TITO was launched using:
RESULT:
Template:
2K5G.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -24664 for 1100 contacts (-22.4/contact) +
2D Compatibility (PS) -16196 + (NN) 4128 + (LL) 204
1D Compatibility (HY) -4000 + (ID) 1800
Total energy: -42328.0 ( -38.48 by residue)
QMean score : 0.332
(partial model without unconserved sides chains):
PDB file :
Tito_2K5G.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2K5G-query.scw
PDB file :
Tito_Scwrl_2K5G.pdb
: