Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNAVCESIDASLDARDRPLLSVRGLTRLYGPEKGCQEVDFDLYPGEVLGIVGESGSGKSTLLSLLSGRCPPDAGTVAYRDDGDRWLDLYAASEAERRTLLRTEWGFVEQNPRDGLRMGVSAGANIGERLMAQGVRHYGRLRQAGLDWLEQ--VEID-PLRIDDL----PRTFSGGMQQRLQIARNLVSAPRLVFMDEPTGGLDVSVQARLLDLLRGLVRELDLAVVIVTHDLAVARLLADRLMVMRRSRVVEAGLTDQILDDPQHPYTQLLVSSVLQP
2YYZ Chain:A ((2-236))
-----------------PSIRVVNLKKYFGKVKAVDGVSFEVKDGEFVALLGPSGCGKTTTLLMLAGIYKPTSGEI-YFDDV-----LVNDIPPKYR-----EVGMVFQN--YALYPHMTVFENIAFPL---------RARRISKDEVEKRVVEIARKLLIDNLLDRKPTQLSGGQQQRVALARALVKQPKVLLFDEPLSNLDANLRMIMRAEIKHLQQELGITSVYVTHDQAEAMTMASRIAVFNQGKLVQYGTPDEVYDSPKNMFVASFIGN----
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) -131140 for 1792 contacts (-73.2/contact) +
2D Compatibility (PS) -25137 + (NN) -16843 + (LL) 3052
1D Compatibility (HY) -18000 + (ID) 4000
Total energy: -192068.0 ( -107.18 by residue)
QMean score : 0.460
(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
: