Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTDLITVKKLGSRIGAQIDGVRLGGDLDPAAVNEIRAALLAHKVVFFRGQHQLDDAEQLAFAGLLGTPIGHPAAIALADDAPIITPINSEFGKANRWHTDVTFAANYPAASVLRAVSLPSYGGSTLWANTAAAYAELPEPLKCLTENLWALHTNRYDYVTTKPLTAAQRAFRQVFEKPDFRTEHPVVRVHPETGERTLLAGDFVRSFVGLDSHESRVLFEVLQRRITMPENTIRWNWAPGDVAIWDNRATQHRAIDDYDDQHRLMHRVTLMGDVPVDVYGQASRVISGAPMEIAG
3R1J Chain:B ((9-296))
----ITVTKLGSRIGARVDGVRLGGDLDDATVEQIRRALLTHKVIFFRHQHHLDDSRQLEFARLLGTPI------------------------ATRWHTDVTFAANYPAASILRAVTLPSYGGSTLWASTVAAYQQLPEPLRHLTENLWALHTNR----------------------PDFRTEHPVVRVHPETGERALLAGDFVRGFVGLDGHESSVLLELLQRRITMPENTVRWSWAPGDVAMWDNRATQHRAIDDYDDQPRLMHRITLMGDVPVNVHGERSRVISGAPL----
General information:
TITO was launched using:
RESULT:
Template:
3R1J.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -117882 for 1972 contacts (-59.8/contact) +
2D Compatibility (PS) -26364 + (NN) -15422 + (LL) 3776
1D Compatibility (HY) -30000 + (ID) 10000
Total energy: -195892.0 ( -99.34 by residue)
QMean score : 0.529
(partial model without unconserved sides chains):
PDB file :
Tito_3R1J.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3R1J-query.scw
PDB file :
Tito_Scwrl_3R1J.pdb
: