Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSEKKGFNFNIIKNDPLDGHKGTNIGSISLDNIAPVFIDVANKEAFIDIGGMHARAKVEKGVKWITDKAAVEGDEAKEYWLCWVTTERNEQGPYYAGLTACY---LLVNKAIRRGYKSMPEHVNMMDKSMKHHIIIDQIGDENKAILKDFLMNHDEGMWKLS--SDALHQAFN--
2SCU Chain:B ((245-385))
-AAQWELNYVALDGNIGCMVNGAGLAMGTMDIVKLHGGEPAN---FLDVGGGATKERVTEAFKIILSDDKVK------------------------AVLVNIFGGIVRCDLIADGIIGAVAEVGVNVP------VVVRLEGNNAELGAKKLADSGLNIIAAKGLTDAAQQVVAAV
General information:
TITO was launched using:
RESULT:
Template:
2SCU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -25468 for 1159 contacts (-22.0/contact) +
2D Compatibility (PS) -13843 + (NN) 691 + (LL) 2520
1D Compatibility (HY) -5200 + (ID) 1050
Total energy: -42350.0 ( -36.54 by residue)
QMean score : 0.127
(partial model without unconserved sides chains):
PDB file :
Tito_2SCU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2SCU-query.scw
PDB file :
Tito_Scwrl_2SCU.pdb
: