Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAAILQIIGFKNSGKTTLLNALIRASRKENYTVSAIKHDAHDFSVDHAGTDSYSFQESGAEAVVIANSRQYAVMEQTGIDLKTAIQKLPESDIVLIEGYKEGPFPKIILVREQAEIELLKNSKAVHKIATHNPALKKEAIFIGEENALNLFAETLIKEFLK
2WSM Chain:A ((30-120))
-TVAVNIMGAIGSGKTLLIERTIERIG-NEVKIGAMLGDVVSK-ADY-----ERVRRFGIKAEAI-STGKECHLDA-HMIYHRLKKF-SDCDLLLIENVGNL-----------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
2WSM.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -17053 for 635 contacts (-26.9/contact) +
2D Compatibility (PS) -9756 + (NN) -3870 + (LL) 6108
1D Compatibility (HY) -3200 + (ID) 900
Total energy: -28671.0 ( -45.15 by residue)
QMean score : 0.355
(partial model without unconserved sides chains):
PDB file :
Tito_2WSM.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2WSM-query.scw
PDB file :
Tito_Scwrl_2WSM.pdb
: