Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAEPLLVVGLGNPGANYARTRHNLGFVVADLLAARLGAKFKAHKRSGAEVATGRSAGRSLVLAKPRCYMNESGRQIGPLAKFYSVAPANIIVIHDDLDLEFGRIRLKIGGGEGGHNGLRSVVAALGTKDFQRVRIGIGRPPGRKDPAAFVLENFTPAERAEVPTICEQAADATELLIEQGMEPAQNRVHAW
4JWK Chain:A ((1-190))
MSNISLIVGLGNPGSEYAQTRHNAGFWFVEQLADKYGITLKNDPKFHGISGRGNIEGHDVRLLLPMTYMNRSGQSVVPFSKFYQIAPEAILIAHDELDMNPGVIRLKTGGGHGGHNGLRDIVPHIGP-NFHRLRIGIGHPGSKERVSGHVLGKAPSNEQSLMDGAIDHALSKVKLLVQGQVPQAMNQINAY
General information:
TITO was launched using:
RESULT:
Template:
4JWK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -115634 for 1612 contacts (-71.7/contact) +
2D Compatibility (PS) -20007 + (NN) -3159 + (LL) 64
1D Compatibility (HY) -13600 + (ID) 3750
Total energy: -156086.0 ( -96.83 by residue)
QMean score : 0.514
(partial model without unconserved sides chains):
PDB file :
Tito_4JWK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4JWK-query.scw
PDB file :
Tito_Scwrl_4JWK.pdb
: