Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MARPLAMIAALGENRAIGIDNRLPWRLPADLKHFKAMTLGKPVIMGRKTWDSLGRPLPGRLNLVVSRQAGLALEGAEVFASLDAALARAEAWAQAEDADELMLIGGAQLYAEALPRAARLYLTRVGLAPEGDAFFPEIDGAAWRLASSIEHAAADDAP--AYAFEVWERR
3SA1 Chain:B ((6-164))
----VSFMVAMDENRVIGKDNNLPWRLPSELQYVKKTTMGHPLIMGRKNYEAIGRPLPGRRNIIVTRNEGYHVEGCEVAHSVE------EVFELCKNEEEIFIFGGAQIYDLFLPYVDKLYITKIHHAFEGDTFFPEMDMTNWK-EVFVEKGLTDEKNPYTYYYHVYEKQ
General information:
TITO was launched using:
RESULT:
Template:
3SA1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -93393 for 1139 contacts (-82.0/contact) +
2D Compatibility (PS) -16577 + (NN) 102 + (LL) 1340
1D Compatibility (HY) -16000 + (ID) 3350
Total energy: -127878.0 ( -112.27 by residue)
QMean score : 0.465
(partial model without unconserved sides chains):
PDB file :
Tito_3SA1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3SA1-query.scw
PDB file :
Tito_Scwrl_3SA1.pdb
: