Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKTPIISIIMGSKSDWGTMQKTAEVLDNFGIAYEKKVVSAHRAPDLMFKHAEEARGRGIKIIIAGAGGAAHLPGMVAAKTTLPVIGVPVKTRALSGLDSLYSIVQMPGGVPVATMAIGEAGATNAALTALRILSIEDQNLADALAHFHEEQGKIAEESSNELI
2NSH Chain:A ((10-119))
-----VAIVMGSKSDWATMQFAAEIFEILNVPHHVEVVSAQRTPDKLFSFAESAEENGYQVIIAGAGGAAHLPGMIAAKTLVPVLGVPVQSAALSGVDSLYSIVQMPRGIPVGTLAIGKAGAANAALLAAQILATHDKELHQRLNDWRKAQTDEVLENPDPRG
General information:
TITO was launched using:
RESULT:
Template:
2NSH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -75812 for 865 contacts (-87.6/contact) +
2D Compatibility (PS) -11823 + (NN) -4225 + (LL) 388
1D Compatibility (HY) -13600 + (ID) 3350
Total energy: -108422.0 ( -125.34 by residue)
QMean score : 0.551
(partial model without unconserved sides chains):
PDB file :
Tito_2NSH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2NSH-query.scw
PDB file :
Tito_Scwrl_2NSH.pdb
: