Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKLLEIKELKKSYAIDRGLFKPKRVIHALNGISFEVEQNEVLSIVGESGCGKSTTAKILAGIERQDSGAIYFNGKRHLHFSKQDWFDYRKKVQMIFQDPYSSLNPRWKVGEIIAEPLLLNSHFSKKEIKTKVLEIMQKVGLKLEWIDRYPHQFSGGQRQRIGIARALILHPSVVICDEPVSALDVSIQAQVLNLLLDLQKEMGLTYIFISHDLGVVEHISDKIIVMNQGQIVETGDVDSVISAPKHPYTQKLLNAVPHLEKSMQRFAE
2YYZ Chain:A ((2-235))
-PSIRVVNLKKYFGK----------VKAVDGVSFEVKDGEFVALLGPSGCGKTTTLLMLAGIYKPTSGEIYFDDVLVNDIP-----PKYREVGMVFQNY--ALYPHMTVFENIAFPLRARRI-SKDEVEKRVVEIARKLLIDN-LLDRKPTQLSGGQQQRVALARALVKQPKVLLFDEPLSNLDANLRMIMRAEIKHLQQELGITSVYVTHDQAEAMTMASRIAVFNQGKLVQYGTPDEVYDSPKNMFVASFIGNPPTNFLRDFSVSV
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) -161856 for 1884 contacts (-85.9/contact) +
2D Compatibility (PS) -24992 + (NN) -6231 + (LL) 1344
1D Compatibility (HY) -19200 + (ID) 4300
Total energy: -215235.0 ( -114.24 by residue)
QMean score : 0.589
(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
: