Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIIFVWAQDRAGNIGKDNKMPWHLPGDLQFFKKTTTG-------KTLVMGRKTYESLG---KALPNRKTIVLTRDQGLK--LDDAEILHSKEAVLALAETGEPIYIVGGAEIYRLFMD--VADQLIVTKIDAEF----EADTAFPEVDWENFSEVAKEFH----------EKDEKNKYNYTFYTYERN
1AOE Chain:A ((9-192))
---IVAALKPALGIGYKGKMPWRLRKEIRYFKDVTTRTTKPNTRNAVIMGRKTWESIPQKFRPLPDRLNIILSRSYENEIIDDNIIHASSIESSLNLVSDVERVFIIGGAEIYNELINNSLVSHLLITEIEHPSPESIEMDTFLKF-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) -47633 for 1084 contacts (-43.9/contact) +
2D Compatibility (PS) -16743 + (NN) -2619 + (LL) 808
1D Compatibility (HY) -11600 + (ID) 2500
Total energy: -80287.0 ( -74.07 by residue)
QMean score : 0.478
(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
: