Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MARPLAMIAALGENRAIGIDNRLPWRLPADLKHFKAMTLG-------KPVIMGRKTWDSLG---RPLPGRLNLVVSRQAGLA--LEGAEVFASLDAALARAEAWAQAEDADELMLIGGAQLYAEAL--PRAARLYLTRVGLA----PEGDAFFPEIDGAAWRLASSIEH----------AAADDA-PAYAFEVWERR
1AOE Chain:A ((6-192))
---VAIIVAALKPALGIGYKGKMPWRLRKEIRYFKDVTTRTTKPNTRNAVIMGRKTWESIPQKFRPLPDRLNIILSRSYENEIIDDNIIHASSIESSLNLVS------DVERVFIIGGAEIYNELINNSLVSHLLITEIEHPSPESIEMDTFLKF-PLESWTKQPKSELQKFVGDTVLEDDIKEGDFTYNYTLWTRK
General information:
TITO was launched using:
RESULT:
Template:
1AOE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -91086 for 1131 contacts (-80.5/contact) +
2D Compatibility (PS) -16952 + (NN) -3089 + (LL) 1468
1D Compatibility (HY) -12800 + (ID) 2450
Total energy: -124909.0 ( -110.44 by residue)
QMean score : 0.489
(partial model without unconserved sides chains):
PDB file :
Tito_1AOE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1AOE-query.scw
PDB file :
Tito_Scwrl_1AOE.pdb
: