Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MARPLAMIAALGENRAIGIDNRLPWRLPADLKHFKAMTLGKPVIMGRKTWDSLGRPLPGRLNLVVSRQAGLALEGAEVFASLDAALARAEAWAQAEDADELMLIGGAQLYAEALPRAARLYLTRVGLAPEGDAFFPEIDGAAWRLASSIEHAAADDAP--AYAFEVWERR
3S9U Chain:A ((6-164))
----VSFMVAMDENRVIGKDNNLPWRLPSELQYVKKTTMGHPLIMGRKNYEAIGRPLPGRRNIIVTRNEGYHVEGCEVAHSVE------EVFELCKNEEEIFIFGGAQIYDLFLPYVDKLYITKIHHAFEGDTFFPEMDMTNWK-EVFVEKGLTDEKNPYTYYYHVYEKQ
General information:
TITO was launched using:
RESULT:
Template:
3S9U.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -92520 for 1138 contacts (-81.3/contact) +
2D Compatibility (PS) -16550 + (NN) -1036 + (LL) 1340
1D Compatibility (HY) -16000 + (ID) 3350
Total energy: -128116.0 ( -112.58 by residue)
QMean score : 0.462
(partial model without unconserved sides chains):
PDB file :
Tito_3S9U.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3S9U-query.scw
PDB file :
Tito_Scwrl_3S9U.pdb
: