Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MARPLAMIAALGENRAIGIDNRLPWRLPADLKHFKAMTLGKPVIMGRKTWDSLGRPLPGRLNLVVSRQAGLALEGAEVFASLDAALARAEAWAQAEDADELMLIGGAQLYAEALPRAARLYLTRVGLAPEGDAFFPEIDGAAWRLASSIEHAAADDAP--AYAFEVWERR
3SA2 Chain:A ((6-164))
----VSFMVAMDENRVIGKDNNLPWRLPSELQYVKKTTMGHPLIMGRKNYEAIGRPLPGRRNIIVTRNEGYHVEGCEVAHSVE------EVFELCKNEEEIFIFGGAQIYDLFLPYVDKLYITKIHHAFEGDTFFPEMDMTNWK-EVFVEKGLTDEKNPYTYYYHVYEKQ
General information:
TITO was launched using:
RESULT:
Template:
3SA2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -94233 for 1130 contacts (-83.4/contact) +
2D Compatibility (PS) -16411 + (NN) 932 + (LL) 1340
1D Compatibility (HY) -16000 + (ID) 3350
Total energy: -127722.0 ( -113.03 by residue)
QMean score : 0.457
(partial model without unconserved sides chains):
PDB file :
Tito_3SA2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3SA2-query.scw
PDB file :
Tito_Scwrl_3SA2.pdb
: