Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKPYDLSEAVAVVTGGSSGIGLATVELLLEAGAAVAFCARDGERLRAAESALRQRFPGARLFASVCDVLDALQVRAFAEACERTLGCASILVNNAGQGRVSTFAETTDEAWSEELQLKFFSVIHPVRAFLPQLESRADAAIVCVNSLLASQPEPHMVATSAARAGVKNLVRSMAFEFAPKGVRVNGILIGLVESGQWRRRFEAREERELDWAQWTAQLARNKQIPLGRLGKPIEAARAILFLASPLSAYTTGSHIDVSGGLSRHA
3RRO Chain:B ((9-248))
----NLEGKVALVTGASRGIGKAIAELLAERGAKVIGTATSESGAQAISDYLGDNGKGMAL-----NVTNPESIEAVLKAITDEFGGVDILVNNAGITRDNLLMRMKEEEWSDIMETNLTSIFRLSKAVLRGMMKKRQGRIINVGSVVGTMGNAGQANYAAAKAGVIGFTKSMAREVASRGVTVNTVAPGFIETDMT---------KALNDEQRTATLA---QVPAGRLGDPREIASAVAFLASPEAAYITGETLHVNGGM----
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) -174972 for 2070 contacts (-84.5/contact) +
2D Compatibility (PS) -26212 + (NN) -12283 + (LL) 2052
1D Compatibility (HY) -9600 + (ID) 4400
Total energy: -225415.0 ( -108.90 by residue)
QMean score : 0.600
(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
: