Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNENLITITGLTKKYRKRKPLNDINLSLQKGKIIGLLGPNGAGKTTLLNAISGLLKPTSGTINLAEN---------SKIAYLPSEDFL-PNMVICDYFRIYHSFFP---DFDQEKAKQMIRSFGIN--IKENTKYLSKGNAAKVMLALILCRDVDLYLLDEPFSEIDLISRDDLIKSIATFLK-EDATLVVTTHLIQDMEMMFDEIIFLKRGKIIEQIDTETLREEYRKSVMDYYREVFGHA
2YYZ Chain:A ((2-225))
---PSIRVVNLKKYFGKVKAVDGVSFEVKDGEFVALLGPSGCGKTTTLLMLAGIYKPTSGEIYFDDVLVNDIPPKYREVGMVFQNYALYPHMTVFENIAFPLRARRISKDEVEKRVVEIARKLLIDNLLDRKPTQLSGGQQQRVALARALVKQPKVLLFDEPLSNLDANLRMIMRAEIKHLQQELGITSVYVTHDQAEAMTMASRIAVFNQGKLVQYGTPDEVYDSP---------------
General information:
TITO was launched using:
RESULT:
Template:
2YYZ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -156374 for 1630 contacts (-95.9/contact) +
2D Compatibility (PS) -22485 + (NN) -9233 + (LL) 1420
1D Compatibility (HY) -10400 + (ID) 2600
Total energy: -199672.0 ( -122.50 by residue)
QMean score : 0.576
(partial model without unconserved sides chains):
PDB file :
Tito_2YYZ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2YYZ-query.scw
PDB file :
Tito_Scwrl_2YYZ.pdb
: