Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKHIRVAAIIRHQNKILLHTTKNENYWTLPGGAVENELTKEGLQREMREELGEEVTIRELKIIAENRFVYRGEEMDSIEFYYIVELYPNSALLELSTFTKIEQFGQNGETDYELNFKWFEIDKVSEIEILPKFLQTELTQLSSDRIKHIQ
2PQV Chain:A ((20-150))
---VRATALIVQNHKLLVTKDKGK-YYTIGGAIQVNESTEDAVVREVKEELGVKAQAGQLAFVVENRFEVDGVSYHNIEFHYLVDLLEDAPLTM-------------QEDEKRQPCEWIDLDKLQNIQLVPVFLKTALPDWEG-QLRHI-
General information:
TITO was launched using:
RESULT:
Template:
2PQV.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -64339 for 958 contacts (-67.2/contact) +
2D Compatibility (PS) -13096 + (NN) 4751 + (LL) 1156
1D Compatibility (HY) -12000 + (ID) 2150
Total energy: -85678.0 ( -89.43 by residue)
QMean score : 0.423
(partial model without unconserved sides chains):
PDB file :
Tito_2PQV.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2PQV-query.scw
PDB file :
Tito_Scwrl_2PQV.pdb
: