Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MFGMKVNEQITLKILEAHDTEALFNLVNRSRNSLREWLPWVDATEQPSDTRAFIKRGLLQFADGNGFQCGIWYEGTLVGVIGLHEINHMHRKTSLGYYLDKQFEGHGIMTQAVEALIKYCFEELDLNRIEISAAVNNEKSRAIPERLGFTREGMLRDNELLNGIYSSSYIYSLLKSEYDQK
3R9E Chain:B ((15-184))
--GIKVNDEITLLYPALKYAEELYLLINQNKINFIKSMAWPAFVNNISDSVSFIEQSMIDNQNEKALILFIKYKTKIAGVVSFNIIDHANKTAYIGYWLGANFQGKGIVTNAINKLIQEYGDSGVIKRFVIKCIVDNKKSNATALRCGFTLEGVLQKAEILNGVSYDQNIYS---------
General information:
TITO was launched using:
RESULT:
Template:
3R9E.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -94598 for 1270 contacts (-74.5/contact) +
2D Compatibility (PS) -18153 + (NN) -1222 + (LL) 1032
1D Compatibility (HY) -14400 + (ID) 2700
Total energy: -130041.0 ( -102.39 by residue)
QMean score : 0.442
(partial model without unconserved sides chains):
PDB file :
Tito_3R9E.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3R9E-query.scw
PDB file :
Tito_Scwrl_3R9E.pdb
: