Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MARPLAMIAALGENRAIGIDNRLPWRLPADLKHFKAMTLGKPVIMGRKTWDSLGRPLPGRLNLVVSRQAGLALEGAEVFASLDAALARAEAWAQAEDADELMLIGGAQLYAEALPRAARLYLTRVGLAPEGDAFFPEIDGAAWRLASSIEHAAADDAP--AYAFEVWERR
2QK8 Chain:A ((3-161))
----VSFMVAMDENRVIGKDNNLPWRLPSELQYVKKTTMGHPLIMGRKNYEAIGRPLPGRRNIIVTRNEGYHVEGCEVAHSVE------EVFELCKNEEEIFIFGGAQIYDLFLPYVDKLYITKIHHAFEGDTFFPEMDMTNWK-EVFVEKGLTDEKNPYTYYYHVYEKQ
General information:
TITO was launched using:
RESULT:
Template:
2QK8.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -101277 for 1156 contacts (-87.6/contact) +
2D Compatibility (PS) -16197 + (NN) 1054 + (LL) 1340
1D Compatibility (HY) -16000 + (ID) 3350
Total energy: -134430.0 ( -116.29 by residue)
QMean score : 0.399
(partial model without unconserved sides chains):
PDB file :
Tito_2QK8.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2QK8-query.scw
PDB file :
Tito_Scwrl_2QK8.pdb
: