Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGVRNHRLLLLRHGETAWSTLGRHTGGTEVELTDTGRTQAELAGQLLGELELDDPIVICSPRRRTLDTAKLA--GL-TVNEVTGLLAEWDYGSYEGLTTPQIRESEPD-WLVWTH----GCPAGESVAQVNDRADSAVALALEHM--------SSRDVLFVSHGHFSRAVITRWVQLPLAEGS-RFAMPTASIGICGFEH---GVRQLAVLGLTGHPQPIAAG
4PZA Chain:A ((3-219))
----ARRLVMLRHGQTD-----RMQGQLDTELSELGRTQAVAAAEVLGK--RQPLLIVSSDLRRAYDTAVKLGERTGLVVRVDTRLRETHLGDWQGLTHAQIDADAPGARLAWREDATWAPHGGESRVDVAARSRPLVAELVASEPEWGGADEPDRPVVLVAHGGLIAALSAALLKLPVANWPALGGMGNASWTQLSGHWFESIRWRLDVWNASAQVS-----
General information:
TITO was launched using:
RESULT:
Template:
4PZA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -73937 for 1530 contacts (-48.3/contact) +
2D Compatibility (PS) -20097 + (NN) -7690 + (LL) 972
1D Compatibility (HY) -7600 + (ID) 2950
Total energy: -111302.0 ( -72.75 by residue)
QMean score : 0.429
(partial model without unconserved sides chains):
PDB file :
Tito_4PZA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4PZA-query.scw
PDB file :
Tito_Scwrl_4PZA.pdb
: