Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MARPLAMIAALGENRAIGIDNRLPWRLPADLKHFKAMTLGKPVIMGRKTWDSLGRPLPGRLNLVVSRQAGLALEGAEVFASLDAALARAEAWAQAEDADELMLIGGAQLYAEALPRAARLYLTRVGLAPEGDAFFPEIDGAAWRLASSIEHAAADDAP--AYAFEVWERR
3JW3 Chain:A ((9-167))
----VSFMVAMDENRVIGKDNNLPWRLPSELQYVKKTTMGHPLIMGRKNYEAIGRPLPGRRNIIVTRNEGYHVEGCEVAHSVE------EVFELCKNEEEIFIIGGAQIYDLFLPYVDKLYITKIHHAFEGDTFFPEMDMTNWK-EVFVEKGLTDEKNPYTYYYHVYEKQ
General information:
TITO was launched using:
RESULT:
Template:
3JW3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -92089 for 1125 contacts (-81.9/contact) +
2D Compatibility (PS) -16665 + (NN) -2637 + (LL) 1340
1D Compatibility (HY) -16000 + (ID) 3400
Total energy: -129451.0 ( -115.07 by residue)
QMean score : 0.438
(partial model without unconserved sides chains):
PDB file :
Tito_3JW3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3JW3-query.scw
PDB file :
Tito_Scwrl_3JW3.pdb
: