Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MHATSSDDFSLSSRVALVTGAGRGIGRGIALALARAGADVAVADLDPQVAEETAAAIRS-LGRRSLALGVDVSDGDSVRAMVERVATEFGRLDVAVNNAGVISIRKVAELSLADWDRVMNVNARGVFLCCQAELPLMQAQRWGRIVNLSSIAGKVGLPDLAHYCASKFAVIGFSNALAKEVARDGVTVNALCPGIVGTGMWRGEDGLSGRWRQAGESEAQSWERHQASL--LPQGEAQTVEDMGQLVVYLAC--APHVTGQAIAVDGGFSL
3RRO Chain:A ((5-250))
-----SQFMNLEGKVALVTGASRGIGKAIAELLAERGAKV----IGTATSESGAQAISDYLGDNGKGMALNVTNPESIEAVLKAITDEFGGVDILVNNAGITRDNLLMRMKEEEWSDIMETNLTSIFRLSKAVLRGMMKKRQGRIINVGSVVGTMGNAGQANYAAAKAGVIGFTKSMAREVASRGVTVNTVAPGFIETDM----------------TKALNDEQRTATLAQVPAGRLGDPREIASAVAFLASPEAAYITGETLHVNGGMYM
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) -158542 for 2056 contacts (-77.1/contact) +
2D Compatibility (PS) -25999 + (NN) -8972 + (LL) 1292
1D Compatibility (HY) -16400 + (ID) 4450
Total energy: -213071.0 ( -103.63 by residue)
QMean score : 0.452
(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
: