Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIRIGQGYDVHKLAYDRD--LIIGGVKIPYEKGLLGHSDADVLLHAITDAIIGAIGAGDIGHFFPDTDMVFKDADSAELLAEIWQKVEADGFRLGNLDATIIAEKPKMAPYVEQMKLRIAELLHADSAQVNVKATTTEKLGFTGREEGIASLAVVLLEK
3FPI Chain:A ((5-159))
--RIGHGFDVHKFGENGSGPLIIGGVRIPYEKGLLAHSDGDVALHAATDALLGAAALGDIGKLFPDTDPAFKGADSRGLLREAYRRILAKGYKLGNLDITIIAQAPKMAPHIPQMRVNLAEDLQCHMDDINVKATTTEQLGFTGRGEGIACEAVVLL--
General information:
TITO was launched using:
RESULT:
Template:
3FPI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -110865 for 1295 contacts (-85.6/contact) +
2D Compatibility (PS) -16787 + (NN) -8242 + (LL) 580
1D Compatibility (HY) -13600 + (ID) 4800
Total energy: -153714.0 ( -118.70 by residue)
QMean score : 0.597
(partial model without unconserved sides chains):
PDB file :
Tito_3FPI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3FPI-query.scw
PDB file :
Tito_Scwrl_3FPI.pdb
: