Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTDLITVKKLGSRIGAQIDGVRLGGDLDPAAVNEIRAALLAHKVVFFRGQHQLDDAEQLAFAGLLGTPIGHPAAIALADDAPIITPINSEFGKANRWHTDVTFAANYPAASVLRAVSLPSYGGSTLWANTAAAYAELPEPLKCLTENLWALHTNRYDYVTTKPLTAAQRAFRQVFEKPDFRTEHPVVRVHPETGERTLLAGDFVRSFVGLDSHESRVLFEVLQRRITMPENTIRWNWAPGDVAIWDNRATQHRAIDDYDDQHRLMHRVTLMGDVPVDVYGQASRVISGAPMEIAG
3R1J Chain:A ((9-298))
----ITVTKLGSRIGARVDGVRLGGDLDDATVEQIRRALLTHKVIFFRHQHHLDDSRQLEFARLLGTPIG-----------------------ATRWHTDVTFAANYPAASILRAVTLPSYGGSTLWASTVAAYQQLPEPLRHLTENLWALHTNR----------------------PDFRTEHPVVRVHPETGERALLAGDFVRGFVGLDGHESSVLLELLQRRITMPENTVRWSWAPGDVAMWDNRATQHRAIDDYDDQPRLMHRITLMGDVPVNVHGERSRVISGAPLEV--
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) -123835 for 1989 contacts (-62.3/contact) +
2D Compatibility (PS) -26379 + (NN) -11650 + (LL) 3640
1D Compatibility (HY) -30400 + (ID) 10100
Total energy: -198724.0 ( -99.91 by residue)
QMean score : 0.537
(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
: