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:A ((11-152))
-IDIEDIKKILPHRYPFLLVDKVIYMQPNKTIIGLKQVSTNEPFFNGHFPQKQIMPGVLQIEALAQLAGILCLKSDDSQKNNLFLFAGVDGVRWKKPVLPGDTLTMQANLISFKSSLGIAKLSGVGYVNGKVVINISEMTFALS-
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) -102709 for 993 contacts (-103.4/contact) +
2D Compatibility (PS) -14711 + (NN) -2718 + (LL) 36
1D Compatibility (HY) -17600 + (ID) 3350
Total energy: -141052.0 ( -142.05 by residue)
QMean score : 0.475
(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
: