Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLEKAPQKSVADFWFDPLCPWCWITSRWILEVAKVRDIEVNFHVMSLAILNENRDDLPEQYREGMARAWGPVRVAIAAEQAHGAKVLDPLYTAMGNRIHNQGNHELDEVITQSLADAGLPAELAKAATSDAYDNALRKSHHAGMDAVGEDVGTPTIHVNGVAFFGPVLSKIPRGEEAGKLWDASVTFASYPHFFELKRTRTEPPQFD
4WKW Chain:A ((27-227))
-----SVKYQADLWFDPLCPWCWITSRWILEVEKVRDVEVHFHVMSLAILNENREDLTENYLENITKAWGPARVVIAAEQANGASVLDPLYTAMGIRIHNEDNKNLDEVIKRSLADTGLPAELAAAAQSNAYDDALRESHHAGMD-----VGTPTVHVNGVAFFGPVLSKIPRGEEAGKLWDASLTLAAYPHFFELKRTRTEPPQF-
General information:
TITO was launched using:
RESULT:
Template:
4WKW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -116985 for 1521 contacts (-76.9/contact) +
2D Compatibility (PS) -20840 + (NN) -6627 + (LL) 812
1D Compatibility (HY) -23600 + (ID) 7950
Total energy: -175190.0 ( -115.18 by residue)
QMean score : 0.612
(partial model without unconserved sides chains):
PDB file :
Tito_4WKW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4WKW-query.scw
PDB file :
Tito_Scwrl_4WKW.pdb
: