Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MELNKIAASILLSGLIIMIVSNVVDMLYNPEKYKIEHQTMVATGSNEPQKKIEQVALDIGALMQSASLEKGKSIAKKCIACHSFDKGGANKVGPNLWNIVGNKKAHLGDSFNYSKAMLE---KGGKWGYEELFAFLKSPKDYIK--------GTRMAFAGISNPQEIADLVSYLRQLSDNQVALPK
3C2C Chain:A ((2-112))
-----------------------------------------------------------------GDAAAGEKVSKKCLACHTFDQGGANKVGPNLFGVFENTAAHK-DNYAYSESYTEMKAKGLTWTEANLAAYVKNPKAFVLEKSGDPKAKSKMTFK-LTKDDEIENVIAYLKTLK--------
General information:
TITO was launched using:
RESULT:
Template:
3C2C.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -42306 for 692 contacts (-61.1/contact) +
2D Compatibility (PS) -10806 + (NN) -3830 + (LL) 5884
1D Compatibility (HY) -9200 + (ID) 2050
Total energy: -62308.0 ( -90.04 by residue)
QMean score : 0.542
(partial model without unconserved sides chains):
PDB file :
Tito_3C2C.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3C2C-query.scw
PDB file :
Tito_Scwrl_3C2C.pdb
: