Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MARPLAMIAALGENRAIGIDNRLPWRLPADLKHFKAMTLGKPVIMGRKTWDSLGRPLPGRLNLVVSRQAGLALEGAEVFASLDAALARAEAWAQAEDADELMLIGGAQLYAEALPRAARLYLTRVGLAPEGDAFFPEIDGAAWRLASSIEHAAADDA-PAYAFEVWERR
3S9U Chain:A ((2-164))
HHMRVSFMVAMDENRVIGKDNNLPWRLPSELQYVKKTTMGHPLIMGRKNYEAIGRPLPGRRNIIVTRNEGYHVEGCEVAHSVEEVFELCK------NEEEIFIFGGAQIYDLFLPYVDKLYITKIHHAFEGDTFFPEMDMTNWKEVFVEKGLTDEKNPYTYYYHVYEKQ
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) -93725 for 1202 contacts (-78.0/contact) +
2D Compatibility (PS) -16898 + (NN) 1571 + (LL) 812
1D Compatibility (HY) -14400 + (ID) 3200
Total energy: -125840.0 ( -104.69 by residue)
QMean score : 0.497
(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
: