Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQNPTKEEIQHILKKAKVIAVVGLSDKPDRTSYRVSQIMQQAGYKIIPVNPNA--DEILGEKTVKHLTDIEEHVDIVNVFRRSEFLPEIAEAFDQIDADVFWAQLGIANQEAFDFLTEKGYPTVMDYCIKVAYQEMD--
1IUK Chain:A ((1-136))
---MNDQELRAYLSQAKTIAVLGAHKDPSRPAHYVPRYLREQGYRVLPVNPRFQGEELFGEEAVASLLDLKEPVDILDVFRPPSALMDHLPEVLALRPGLVWLQSGIRHPEFEKALKEAGIPVVADRCLMVEHKRLFRG
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) -110128 for 1059 contacts (-104.0/contact) +
2D Compatibility (PS) -15036 + (NN) -7358 + (LL) 248
1D Compatibility (HY) -10400 + (ID) 2200
Total energy: -144874.0 ( -136.80 by residue)
QMean score : 0.722
(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
: