Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIDIKEIREALPHRYPMLLVDRVLEVSEDE-IVAIKNVSINEPFFNGHFPEYPVMPGVLIMEALAQTAGVLEL-SKEENKGKLVFYAGMDKVKFKKQVVPGDQLVMTAKFVKRRGT--IAVVEAIAEVDGKLAAS-GTLTFAIGN
3AZA Chain:U ((11-152))
-IDIEDIKKILPHRYPFLLVDKVIYMQPNKTIIGLKQVSTNEPFFNGHFPQKQIMPGVLQIEALAQLAGILCLKSDDSQKNNLFLFAGVDGVRWKKPVLPGDTLTMQANLISFKSSLGIAKLSGVGYVNGKVVINISEMTFAL--
General information:
TITO was launched using:
RESULT:
Template:
3AZA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -101975 for 996 contacts (-102.4/contact) +
2D Compatibility (PS) -14804 + (NN) -3915 + (LL) -44
1D Compatibility (HY) -17600 + (ID) 3350
Total energy: -141688.0 ( -142.26 by residue)
QMean score : 0.484
(partial model without unconserved sides chains):
PDB file :
Tito_3AZA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3AZA-query.scw
PDB file :
Tito_Scwrl_3AZA.pdb
: