Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDR-KL-LKEKQIQLIF-QLEQEENRFIRKRLIEELEFFEALGDREKGLLTAEQKLLILTPSEYREYKRTKSDVQISRIIGVSRSSLAEWKRKKGLNRK-KSQPVQQEMIDVLAFHLDKTKEEIGALP-----------AS-AIECQYEAFVINEANN
3KBY Chain:A ((1-145))
GSHMFNMLEQQIIHSQDMAHFRSEFFYVNHEHRENYEALLIYYKNSIDNPIVDGACYILALPEIFNS------VDVFES----ELPFSWVYDENGITETMKS--LSIPLQYLVAAALEVTDVNIFKPSGFTMGMNNWNIAQMRIFWQYTAIIRKEAL-
General information:
TITO was launched using:
RESULT:
Template:
3KBY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -12112 for 850 contacts (-14.2/contact) +
2D Compatibility (PS) -14329 + (NN) -9827 + (LL) 272
1D Compatibility (HY) -4400 + (ID) 1150
Total energy: -41546.0 ( -48.88 by residue)
QMean score : 0.413
(partial model without unconserved sides chains):
PDB file :
Tito_3KBY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KBY-query.scw
PDB file :
Tito_Scwrl_3KBY.pdb
: