Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNAVCESIDASLDARDRPLLSVRGLTRLYGPEKGCQEVDFDLYPGEVLGIVGESGSGKSTLLSLLSGRCPPDAGTVAYRDDGDRWLDLYAASEAERRTLLRTEWGFVEQNPRDGLRMGVSAGANIGERLMAQGVRHYGRLRQAGLDWLEQVEIDPLRIDDLPRTFSGGMQQRLQIARNLVSAPRLVFMDEPTGGLDVSVQARLLDLLRGLVRELDLAVVIVTHDLAVARLLADRLMVMRRSRVVEAGLTDQILDDPQHPYTQLLVSSVLQP
2YYZ Chain:A ((2-235))
-----------------PSIRVVNLKKYFGKVKAVDGVSFEVKDGEFVALLGPSGCGKTTTLLMLAGIYKPTSGEIYFDDVL-----VNDIP------PKYREVGMVFQNYA--LYPHMTVFENIAFPLRARRIS-KDEVEKRVVEIARKLLIDN-LLDRKPTQLSGGQQQRVALARALVKQPKVLLFDEPLSNLDANLRMIMRAEIKHLQQELGITSVYVTHDQAEAMTMASRIAVFNQGKLVQYGTPDEVYDSPKNMFVASFIG-----
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) -153905 for 1884 contacts (-81.7/contact) +
2D Compatibility (PS) -25810 + (NN) -16132 + (LL) 2384
1D Compatibility (HY) -16400 + (ID) 3450
Total energy: -213313.0 ( -113.22 by residue)
QMean score : 0.466
(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
: