Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
----------------------MSQQHDYVI-GKNAVIETLKSDRKLYKLWMAENTVKGQAQQVIELAKKQGITIQYVPRKKLDQMVTGQHQGVVAQVAAYEYAELDDLYKAAEEKNEQPFFLILDELEDPHNLGSIMRTADAVGAHGIVIPKRRAVGLTTTVAKASTGAIEHIPVARVTNLARTLEEMKERGIWVVGTDASAREDFRNMDGNMPLALVIGSEGKGMGRLVKEKCDFLIKLPMAGKVTSLNASVAAGLLMYEVYRKRNPVGE
1IPA Chain:A ((1-263))
MRITSTANPRIKELARLLERKHRDSQRRFLIEGAREIERALQAGIELEQALVWEGGLNPEEQQVYA----ALLALLEVSEAVLKKLSVRDNPAGLIALARMPERTLEEY-----RPSPDALILVAVGLEKPGNLGAVLRSADAAGAEAVLVAGGVDL-YSPQVIRNSTGVVFSLRTLA-ASESEVLDWIKQHNLPLVATTPHAEALYWEANLRPPVAIAVGPEHEGLRAAWLEAAQTQVRIPMQGQADSLNVSVSAALLLYEALRQRLL---
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) -150005 for 1880 contacts (-79.8/contact) +
2D Compatibility (PS) -25336 + (NN) -7565 + (LL) 1140
1D Compatibility (HY) -14400 + (ID) 2800
Total energy: -198966.0 ( -105.83 by residue)
QMean score : 0.594
(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
: