Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQDKIIEILQISPIVPVVVVENIKDAVPLAQSLIEGGIPIIEVTLRSNCALEAIELIAKNVPKMRVGAGTILNLTQLEQAQNRGAEFLISPGLTIKLLEHAKKKDMPLIPGVSSSSEVMQALELGYNALKFFPAEYCGGVKLLNAFNGPFKGVKFCPTGGISADNMRSYLALENVVCVGGSWLTPKDLIQNKEWDKITEICKRALALR
1WAU Chain:A ((26-208))
----------------------LEHAVPMAKALVAGGVRVLNVTLRTECAVDAIRAIAKEVPEAIVGAGTVLNPQQLAEVTEAGAQFAISPGLTEPLLKAATEGTIPLIPGISTVSELMLGMDYGLKEFKFFPAEANGGVKALQAIAGPFSQVRFCPTGGISPANYRDYLALKSVLCIGGSWLVPADALEAGDYDRITKLAREAVEGA
General information:
TITO was launched using:
RESULT:
Template:
1WAU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -136329 for 1469 contacts (-92.8/contact) +
2D Compatibility (PS) -20461 + (NN) -15443 + (LL) 2412
1D Compatibility (HY) -19600 + (ID) 4700
Total energy: -194121.0 ( -132.14 by residue)
QMean score : 0.602
(partial model without unconserved sides chains):
PDB file :
Tito_1WAU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1WAU-query.scw
PDB file :
Tito_Scwrl_1WAU.pdb
: