Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIGQVLSNDDWNRYKKEGFLVTKFGSLIDYVINWARSGSLWPMTFGLACCAVEMMHTASSRY-DLDRYGIMFRASP---------------------RQADVMIVAGTLTNKM---------AAALRKVYDQMADPKYVVSMGSCANGGGYYHYS--YSVVRGCDRIVPVD-----IYVPGCPPTAEALLYGMLCLQNKIKRTQNI
3AYX Chain:B ((11-174))
----------------------------------PRTPVIWLHGLECTCCSESFIRSAHPLAKDVVLSMISLDYDDTLMAASGHAAEAILDEIKEKYKGNYILAVEGNPPLNQDGMSCIIGGRPFSEQLKRMADDAKAIISWGSCASWGCVQAAKPNPTQATPVHKFLGGGYDKPIIKVPGCPPIAEVMTGVITYMLTFDRIPELD
General information:
TITO was launched using:
RESULT:
Template:
3AYX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -81734 for 990 contacts (-82.6/contact) +
2D Compatibility (PS) -13667 + (NN) -7563 + (LL) 2212
1D Compatibility (HY) -3200 + (ID) 1300
Total energy: -105252.0 ( -106.32 by residue)
QMean score : 0.269
(partial model without unconserved sides chains):
PDB file :
Tito_3AYX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3AYX-query.scw
PDB file :
Tito_Scwrl_3AYX.pdb
: