Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLEKAPQKSVADFWFDPLCPWCWITSRWILEVAKVRDIEVNFHVMSLAILNENRDDLPEQYREGMARAWGPVRVAIAAEQAHGAKVLDPLYTAMGNRIHNQGNHELDEVITQSLADAGLPAELAKAATSDAYDNALRKSHHAGMDAVGEDVGTPTIHVNGVAFFGPVLSKIPRGEEAGKLWDASVTFASYPHFFELKRTRTEPPQFD
4WKW Chain:B ((30-227))
--------YQADLWFDPLCPWCWITSRWILEVEKVRDVEVHFHVMSLAILNE--------------KAWGPARVVIAAEQANGASVLDPLYTAMGIRIHNEDNKNLDEVIKRSLADTGLPAELAAAAQSNAYDDALRESHHAGMDPVGDDVGTPTVHVNGVAFFGPVLSKIPRGEEAGKLWDASLTLAAYPHFFELKRTRTEPPQF-
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) -121271 for 1452 contacts (-83.5/contact) +
2D Compatibility (PS) -19663 + (NN) -5868 + (LL) 1268
1D Compatibility (HY) -22800 + (ID) 7700
Total energy: -176034.0 ( -121.24 by residue)
QMean score : 0.582
(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
: