Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQKLIVALFGLLLAACSSSPPETPPTRVVIWLHAAPNLNPSAAGQAAPLRLRLYELKKDTAFGRADYFALTDNAQSTLGGDLVEQDEFLLRPGEERRIERTLDEQTRQLGFVAAYRDLD--RATWRQVLDVPGQRTSHLDITLGAQAIGIVARPAP
3RX9 Chain:A ((30-127))
-------------------------------IRAREAINTSAAGIPLSVVVRIYQLKDNRSFDSADYQALFTGDNEILAGDIIAQKDVWLQPGGSVAVDMPLDDAAKFTGVAAMFLEPDQKKNTWRVVLGRDELEPDTPRLIEVSGNTLTLLP---
General information:
TITO was launched using:
RESULT:
Template:
3RX9.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -19496 for 599 contacts (-32.5/contact) +
2D Compatibility (PS) -9332 + (NN) 1525 + (LL) 2500
1D Compatibility (HY) -7600 + (ID) 1650
Total energy: -34053.0 ( -56.85 by residue)
QMean score : 0.376
(partial model without unconserved sides chains):
PDB file :
Tito_3RX9.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3RX9-query.scw
PDB file :
Tito_Scwrl_3RX9.pdb
: