Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKTPIISIIMGSKSDWGTMQKTAEVLDNFGIAYEKKVVSAHRAPDLMFKHAEEARGRGIKIIIAGAGGAAHLPGMVAAKTTLPVIGVPVKTRALSGLDSLYSIVQMPGGVPVATMAIGEAGATNAALTALRILSIEDQNLADALAHFHEEQGKIAEESSNELI
2NSJ Chain:A ((10-119))
-----VAIVMGSKSDWATMQFAAEIFEILNVPHHVEVVSAQRTPDKLFSFAESAEENGYQVIIAGAGGAAHLPGMIAAKTLVPVLGVPVQSAALSGVDSLYSIVQMPRGIPVGTLAIGKAGAANAALLAAQILATHDKELHQRLNDWRKAQTDEVLENPDPRG
General information:
TITO was launched using:
RESULT:
Template:
2NSJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -79137 for 868 contacts (-91.2/contact) +
2D Compatibility (PS) -11767 + (NN) -3829 + (LL) 388
1D Compatibility (HY) -13600 + (ID) 3350
Total energy: -111295.0 ( -128.22 by residue)
QMean score : 0.545
(partial model without unconserved sides chains):
PDB file :
Tito_2NSJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2NSJ-query.scw
PDB file :
Tito_Scwrl_2NSJ.pdb
: