Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKITPPQPFLFEKGKRAVLLLHGFTGSSADVRILGRFLQENNYTCYAPQYRGHGVSPDL--LLKTGPNDWWEDVLEAYDHLKSLGYTEIAVAGLSLGGLFSLKLGFS-RP-LKGIIAMSTPTRMDSSSPIIQGFLDYVRNYKKLEGKTTEQIDAEMVAYKDAPMNTIAKLKDEISGVVAEIDMIYAPIMVVQGEKDDMVDVSGAQLIYDTVEST-KKELHWFKESGHVITLDKERKEVNQAILTFLDSLDWQE
3DKR Chain:A ((10-249))
--FRKPQPFEYEGTDTGVVLLHAYTGSPNDMNFMARALQRSGYGVYVPLFSGHGTVEPLDILTKGNPDIWWAESSAAVAHMTA-KYAKVFVFGLSLGGIFAMKALETLPGITAGGVFS-SPILPGKHH-LVPGFLKYAEYMNRLAGKSDE-STQILAYL---P-GQLAAIDQFATTVAADLNLVKQPTFIGQAGQDELVDGRLAYQLRDALINAARVDFHWYDDAKHVITVNSAHHALEEDVIAFMQQEN---
General information:
TITO was launched using:
RESULT:
Template:
3DKR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -124326 for 2022 contacts (-61.5/contact) +
2D Compatibility (PS) -24762 + (NN) -5386 + (LL) 1120
1D Compatibility (HY) -15600 + (ID) 3400
Total energy: -172354.0 ( -85.24 by residue)
QMean score : 0.515
(partial model without unconserved sides chains):
PDB file :
Tito_3DKR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3DKR-query.scw
PDB file :
Tito_Scwrl_3DKR.pdb
: