Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSQQHDYVIGKNAVIETLKSDRKLYKLWMAENTVKGQAQQVI-ELAKKQGITIQYVPRKKLDQMVTG-QHQGVVAQVAAYEYAELDDLYKAAEEKNEQPFFLILDELEDPHNLGSIMRTADAVGAHGIVIPKRRAVGLTTTVAKASTGAIEHIPVARVTNLARTLEEMKERGIWVVGTDASAREDFRNMDGNMPLALVIGSEGKGMGRLVKEKCDFLIKLPMAGKVTSLNASVAAGLLMYEVYRKRNPVGE
1IPA Chain:A ((25-263))
-SQRRFLIEGAREIERALQAGIELEQALVWEGGLNPEEQQVYAAL-----LALLEVSEAVLKKLSVRDNPAGLIALARMP-ERTLEEYRP-----SPDALILVAVGLEKPGNLGAVLRSADAAGAEAVLVA-GGVDLYSPQVIRNSTGVVFSLRTLAA-SESEVLDWIKQHNLPLVATTPHAEALYWEANLRPPVAIAVGPEHEGLRAAWLEAAQTQVRIPMQGQADSLNVSVSAALLLYEALRQRLL---
General information:
TITO was launched using:
RESULT:
Template:
1IPA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -158809 for 1867 contacts (-85.1/contact) +
2D Compatibility (PS) -25156 + (NN) -5785 + (LL) 1332
1D Compatibility (HY) -12000 + (ID) 2900
Total energy: -203318.0 ( -108.90 by residue)
QMean score : 0.605
(partial model without unconserved sides chains):
PDB file :
Tito_1IPA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1IPA-query.scw
PDB file :
Tito_Scwrl_1IPA.pdb
: