Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MISLIAAL-AVDRVIGMENAMPWNLPADLAWFKRNTLN-------KPVIMGRHTWESIG---RPLPGRKNIILSSQPGT---DDRVTWVKSVDEAIAACGDVPEIMVIGGGRVYEQFL--PKAQKLYLTHID----AEVEGDTHFPDYEPDDWESVFSEFHDA-------D---AQNSHSYCFEILERR
1AOE Chain:A ((6-192))
-VAIIVAALKPALGIGYKGKMPWRLRKEIRYFKDVTTRTTKPNTRNAVIMGRKTWESIPQKFRPLPDRLNIILSRSYENEIIDDNIIHASSIESSLNLVSDVERVFIIGGAEIYNELINNSLVSHLLITEIEHPSPESIEMDTFL-KFPLESWTKQPKSELQKFVGDTVLEDDIKEGDFTYNYTLWTRK
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) -97554 for 1095 contacts (-89.1/contact) +
2D Compatibility (PS) -17057 + (NN) -5068 + (LL) 68
1D Compatibility (HY) -14000 + (ID) 2450
Total energy: -136061.0 ( -124.26 by residue)
QMean score : 0.572
(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
: