Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MELNKIAASILLSGLIIMIVSNVVDMLYNPEKYKIEHQTMVATGSNEPQKKIEQVALDIGALMQSASLEKGKSI-AKKCIACHSFDKGGANKVGPNLWNIVGNKKAHLGDSFNYSKAMLEKGGKWGYEELFAFLKSPKDYIKGTRMAFAGISNPQEIADLVSYLRQLSDNQVALPK
2AIU Chain:A ((5-105))
--------------------------------------------------------------------EAGKKIFVQKCAQCHTVEKGGKHKTGPNLWGLFGRKTGQ-APGFSYTDANKNKGVIWSEETLMEYLENPKKYIPGTKMIFAGIKKKSEREDLIKYLKQATSS------
General information:
TITO was launched using:
RESULT:
Template:
2AIU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -24123 for 695 contacts (-34.7/contact) +
2D Compatibility (PS) -10615 + (NN) -2831 + (LL) 6852
1D Compatibility (HY) -6800 + (ID) 2250
Total energy: -39767.0 ( -57.22 by residue)
QMean score : 0.578
(partial model without unconserved sides chains):
PDB file :
Tito_2AIU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AIU-query.scw
PDB file :
Tito_Scwrl_2AIU.pdb
: