Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLDIKKIKEILPHRYPFLLVDRVISVEEGKKVTAIKNVTANEEFFNGHFPEYPVMPGVLIVEALAQTSGIAMMQS-EANKGKIGLFAGIDGCRFKRQVVPGDQLLLEAEITRMRGAIAKAKVKAT--VEGDLVCE-AEIMFALSDLPK
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) -96382 for 988 contacts (-97.6/contact) +
2D Compatibility (PS) -14459 + (NN) 865 + (LL) 204
1D Compatibility (HY) -18000 + (ID) 3350
Total energy: -131122.0 ( -132.71 by residue)
QMean score : 0.474
(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
: