Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDKRNPRISSRKQPQQARSSELVASILEAAVQVLASEGAQRFTTARVAERAGVSIGSLYQYFPNKAAILFRLQSDEWRRTTRLLGEILEDTTRPPLERLRRLVLAFVRSECEEAAIRVALSDAAPLYRDADEAREVKAEGARVFQAFLREALPEVAEAERSLAGDLLTTTLGAVGKQFSEQPRSEAEIERYAEALADMLCAYLAALGER
2OER Chain:A ((21-209))
--------------------SELVASILEAAVQV------QRFTTARVAERAGVSIGSLYQYFPNKAAILFRLQSDEWRRTTRLLGEILEDTTRPPLERLRRLVLAFVRSECEEAAIRVALSDAAPLY----EAREVKAEGARVFQAFLREALPEVAEAERSLAGDLLTTTLGAVGKQFSEQPRSEAEIERYAEALADMLCAYLAALGE-
General information:
TITO was launched using:
RESULT:
Template:
2OER.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -109117 for 1259 contacts (-86.7/contact) +
2D Compatibility (PS) -20016 + (NN) -12923 + (LL) 1460
1D Compatibility (HY) -20800 + (ID) 8450
Total energy: -169846.0 ( -134.91 by residue)
QMean score : 0.745
(partial model without unconserved sides chains):
PDB file :
Tito_2OER.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2OER-query.scw
PDB file :
Tito_Scwrl_2OER.pdb
: