Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIAIGNDHVGIELKPVIVAYLQDLGHEVDDFGAFSNERTDYPEYGKKVAESVAAGKSDLGILICGSGVGISIAANKVNGIRAVVCSEPYSAKLSREHNNTNILAFGSRVVGAELAKMIVQNWLDAEFEGGRHAKRVEMIARIEDEND
1NN4 Chain:A ((3-146))
-KIAFGCDHVGFILKHEIVAHLVERGVEVIDKGTWSSERTDYPHYASQVALAVAGGEVDGGILICGTGVGISIAANKFAGIRAVVCSEPYSAQLSRQHNDTNVLAFGSRVVGLELAKMIVDAWLGAQYEGGRHQQRVEAITAIEQ---
General information:
TITO was launched using:
RESULT:
Template:
1NN4.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -89327 for 1205 contacts (-74.1/contact) +
2D Compatibility (PS) -15827 + (NN) -8131 + (LL) 156
1D Compatibility (HY) -14800 + (ID) 4950
Total energy: -132879.0 ( -110.27 by residue)
QMean score : 0.561
(partial model without unconserved sides chains):
PDB file :
Tito_1NN4.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1NN4-query.scw
PDB file :
Tito_Scwrl_1NN4.pdb
: