Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQNPTKEEIQHILKKAKVIAVVGLSDKPDRTSYRVSQIMQQAGYKIIPVNPNAD--EILGEKTVKHLTDIEEHVDIVNVFRRSEFLPEIAEAFDQIDADVFWAQLGIANQEAFDFLTEKGYPTVMDYCIKVAYQEMD
1IUK Chain:A ((2-133))
----NDQELRAYLSQAKTIAVLGAHKDPSRPAHYVPRYLREQGYRVLPVNPRFQGEELFGEEAVASLLDLKEPVDILDVFRPPSALMDHLPEVLALRPGLVWLQSGIRHPEFEKALKEAGIPVVADRCLMVEHKRL-
General information:
TITO was launched using:
RESULT:
Template:
1IUK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -112921 for 1035 contacts (-109.1/contact) +
2D Compatibility (PS) -14579 + (NN) -6313 + (LL) 32
1D Compatibility (HY) -10400 + (ID) 2200
Total energy: -146381.0 ( -141.43 by residue)
QMean score : 0.711
(partial model without unconserved sides chains):
PDB file :
Tito_1IUK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1IUK-query.scw
PDB file :
Tito_Scwrl_1IUK.pdb
: