Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MCKYKAIIFDMDGVLFDTELF-YYKRRERFLKQHGITIDHLPMNFFIGGNMKQVWKSVLGD----------QYD---TWDIDKLQQDYSRYKEDNPLPYKDLIFQDCKRVIEKLHHKGYLLGLASSSTRHDIMLALESFNLDTYFK-VILSGEEFSESKPNPAIYNRAAELLDI-PKQQILIVEDSEKGITAGIAAGIDVWAIEDK-YFG-----------------------M--NQSQANVLVSDLSQFFVKLDNY
3IRU Chain:A ((11-266))
AGPVEALILDWAGTTIDFGSLAPVYAFMELFKQEGIEVTQAEAREPMGTEKSEHIRRMLGNSRIANAWLSIKGQASNEEDIKRLYDLFAPIQTRI-VAQRSQLIPGWKEVFDKLIAQGIKVGGNTGYGPGMMAPALIAAKEQGYTPASTVFATDVVRGRPFPDMALKVALELEVGHVNGCIKVDDTLPGIEEGLRAGMWTVGVSCSGNEVGLDREDWQALSSDEQQSYRQHAEQRLFNAGAHYVIDSVADLETVITDV
General information:
TITO was launched using:
RESULT:
Template:
3IRU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -100464 for 1855 contacts (-54.2/contact) +
2D Compatibility (PS) -23376 + (NN) -11297 + (LL) -140
1D Compatibility (HY) -6800 + (ID) 1800
Total energy: -143877.0 ( -77.56 by residue)
QMean score : 0.465
(partial model without unconserved sides chains):
PDB file :
Tito_3IRU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IRU-query.scw
PDB file :
Tito_Scwrl_3IRU.pdb
: