Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQKLIVALFGLLLAACSSSPPETPPTRVVIWLHAAPNLNPSAAGQAAPLRLRLYELKKDTAFGRADYFALTDNAQSTLGGDLVEQDEFLLRPGEERRIERTLDEQTRQLGFVAAYRDLDR--ATWRQVLDVPGQR-TSHLDITLGAQAIGIVARPAP
3RX9 Chain:A ((22-151))
-----------------------QIKTLHLDIRAREAINTSAAGIPLSVVVRIYQLKDNRSFDSADYQALFTGDNEILAGDIIAQKDVWLQPGGSVAVDMPLDDAAKFTGVAAMFLEPDQKKNTWRVVLGRDELEPDTPRLIEVSGNTLTLLP----
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) -56069 for 900 contacts (-62.3/contact) +
2D Compatibility (PS) -12907 + (NN) -2772 + (LL) 1872
1D Compatibility (HY) -8800 + (ID) 1700
Total energy: -80376.0 ( -89.31 by residue)
QMean score : 0.266
(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
: