Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MFGMKVNEQITLKILEAHDTEALFNLVNRSRNSLREWLPWVDATEQPSDTRAFIKRGLLQFADGNGFQCGIWYEGTLVGVIGLHEINHMHRKTSLGYYLDKQFEGHGIMTQAVEALIKYCFEELDLNRIEISAAVNNEKSRAIPERLGFTREGMLRDNELLNGIYSSSYIYSLLKSEYDQK
3R95 Chain:A ((15-184))
--GIKVNDEITLLYPALKYAEELYLLINQNKINFIKSMAWPAFVNNISDSVSFIEQSMIDNQNEKALILFIKYKTKIAGVVSFNIIDHANKTAYIGYWLGANFQGKGIVTNAINKLIQEYGDSGVIKRFVIKCIVDNKKSNATALRCGFTLEGVLQKAEILNGVSYDQNIYS---------
General information:
TITO was launched using:
RESULT:
Template:
3R95.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -98509 for 1271 contacts (-77.5/contact) +
2D Compatibility (PS) -18102 + (NN) -539 + (LL) 1032
1D Compatibility (HY) -14400 + (ID) 2700
Total energy: -133218.0 ( -104.81 by residue)
QMean score : 0.479
(partial model without unconserved sides chains):
PDB file :
Tito_3R95.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3R95-query.scw
PDB file :
Tito_Scwrl_3R95.pdb
: