Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTDLITVKKLGSRIGAQIDGVRLGGDLDPAAVNEIRAALLAHKVVFFRGQHQLDDAEQLAFAGLLGTPIGHPAAIALADDAPIITPINSEFGKANRWHTDVTFAANYPAASVLRAVSLPSYGGSTLWANTAAAYAELPEPLKCLTENLWALHTNRYDYVTTKPLTAAQRAFRQVFEKPDFRTEHPVVRVHPETGERTLLAGDFVRSFVGLDSHESRVLFEVLQRRITMPENTIRWNWAPGDVAIWDNRATQHRAIDDYDDQHRLMHRVTLMGDVPVDVYGQASRVISGAPMEIAG
3SWT Chain:B ((8-301))
---LITVKKLGSRIGAQVDGVSLGADLDAAAVDQIRAALLEHKVIFFRNQHHLDDQQQLQFAGLLGTPIGH-----------------------NRWHTDVTFAANYPAASILRAVTLPNYGGSTLWANTATAYAELPEPLKCLVENLWALHTNR----------------------PDFRTEHPVVRVHPETGERTLLAGDFVRGFVGLDSQESSALFELLQRRITSPENTIRWNWESGDVAIWDNRATQHRAIDDYDDQHRLLHRVTLMGDVPVDVHGQRSRVISGAPLALA-
General information:
TITO was launched using:
RESULT:
Template:
3SWT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -117847 for 1987 contacts (-59.3/contact) +
2D Compatibility (PS) -26518 + (NN) -12378 + (LL) 3420
1D Compatibility (HY) -30000 + (ID) 10700
Total energy: -194023.0 ( -97.65 by residue)
QMean score : 0.564
(partial model without unconserved sides chains):
PDB file :
Tito_3SWT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3SWT-query.scw
PDB file :
Tito_Scwrl_3SWT.pdb
: