Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAEPLLVVGLGNPGANYARTRHNLGFVVADLLAARLGAKFKAHKRSGAEVATGRSAGRSLVLAKPRCYMNESGRQIGPLAKFYSVAPANIIVIHDDLDLEFGRIRLKIGGGEGGHNGLRSVVAALGTKD-FQRVRIGIGRPPGRKDPAAFVLENFTPAERAEVPTICEQAADATELLIEQGMEPAQNRVHAW
4QD3 Chain:A ((6-191))
-----LIVGLGNPGPEYDQTRHNAGALFVERLAHAQGVSLVADRKYFGLVGKFSHQGKDVRLLIPTTYMNRSGQSVAALAGFFRIAPDAILVAHDELDMPPGVAKLKTGGGHGGHNGLRDIIAQLGNQNSFHRLRLGIGHPGHSSLVSGYVLGRAPRSEQELLDTSIDFALGVLPEMLAGDWTRAMQKLHS-
General information:
TITO was launched using:
RESULT:
Template:
4QD3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -111800 for 1539 contacts (-72.6/contact) +
2D Compatibility (PS) -19654 + (NN) -2278 + (LL) 648
1D Compatibility (HY) -11600 + (ID) 3400
Total energy: -148084.0 ( -96.22 by residue)
QMean score : 0.487
(partial model without unconserved sides chains):
PDB file :
Tito_4QD3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4QD3-query.scw
PDB file :
Tito_Scwrl_4QD3.pdb
: