Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MASLLNARTAVITGGAQGLGLAIGQRFVAEGARVVLGDVNLEATEVAAKRLGGDDVALAVRCDVTQADDVDILIRTAVERFGGLDVMVNNAGITRDATMRTMTEEQFDQVIAVHLKGTWNGTRLAAAIMR---ERKRGAIVNMSSVSGKVGMVGQTNYSAAKAGIVGMTKAAAKELAHLGIRVNAIAPGLIRSAMTEAMPQRIWDQKLAEVPMGRAGEPSEVASVAVFLASDLSSYMTGTVLDVTGGRFI
3RRO Chain:B ((10-250))
----LEGKVALVTGASRGIGKAIAELLAERGAKVIGTATSESGAQAISDYLGDNGKGMAL--NVTNPESIEAVLKAITDEFGGVDILVNNAGITRDNLLMRMKEEEWSDIMETNLTSIF---RLSKAVLRGMMKKRQGRIINVGSVVGTMGNAGQANYAAAKAGVIGFTKSMAREVASRGVTVNTVAPGFIETDMTKALNDEQRTATLAQVPAGRLGDPREIASAVAFLASPEAAYITGETLHVNGGMYM
General information:
TITO was launched using:
RESULT:
Template:
3RRO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -120541 for 2029 contacts (-59.4/contact) +
2D Compatibility (PS) -25543 + (NN) -2640 + (LL) 456
1D Compatibility (HY) -15600 + (ID) 4550
Total energy: -168418.0 ( -83.01 by residue)
QMean score : 0.574
(partial model without unconserved sides chains):
PDB file :
Tito_3RRO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3RRO-query.scw
PDB file :
Tito_Scwrl_3RRO.pdb
: