Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MELNKIAASILLSGLIIMIVSNVVDMLYNPEKYKIEHQTMVATGSNEPQKKIEQVALDIGALMQSASLEKGKSIAKKCIACHSFDKGGANKVGPNLWNIVGNKKAHLGDSFNYSKAMLE---KGGKWGYEELFAFLKSPKDYI--------KGTRMAFAGISNPQEIADLVSYLRQLSDNQVALPK
2C2C Chain:A ((7-111))
----------------------------------------------------------------------GEKVSKKCLACHTFDQGGANKVGPNLFGVFENTAAH-KDNYAYSESYTEMKAKGLTWTEANLAAYVKNPKAFVLEKSGDPKAKSKMTFK-LTKDDEIENVIAYLKTLK--------
General information:
TITO was launched using:
RESULT:
Template:
2C2C.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -40871 for 628 contacts (-65.1/contact) +
2D Compatibility (PS) -10233 + (NN) -3632 + (LL) 6600
1D Compatibility (HY) -10000 + (ID) 2050
Total energy: -60186.0 ( -95.84 by residue)
QMean score : 0.589
(partial model without unconserved sides chains):
PDB file :
Tito_2C2C.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2C2C-query.scw
PDB file :
Tito_Scwrl_2C2C.pdb
: