Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MHATSSDDFSLSSRVALVTGAGRGIGRGIALALARAGADVAVADLDPQVAEETAAAIRSLGRRSLALGVDVSDGDSVRAMVERVATEFGRLDVAVNNAGVISIRKVAELSLADWDRVMNVNARGVFLCCQAELPLMQAQRW-GRIVNLSSIAGK-VGLP-DLAHYCASKFAVIGFSNALAKEVARDGVTVNALCPGIVGTGMWRGEDGLSGRWRQAGESEAQSWERHQASLLPQGEAQTVEDMGQLVVYLACA--PHVTGQAIAVDGGFSL
3R1I Chain:A ((26-274))
------DLFDLSGKRALITGASTGIGKKVALAYAEAGAQVAVAARHSDALQVVADEIAGVGGKALPIRCDVTQPDQVRGMLDQMTGELGGIDIAVCNAGIVSVQAMLDMPLEEFQRIQDTNVTGVFLTAQAAARAMVDQGLGGTIITTASMSGHIINIPQQVSHYCTSKAAVVHLTKAMAVELAPHQIRVNSVSPGYIRTELVEPLADYHALWEPK---------------IPLGRMGRPEELTGLYLYLASAASSYMTGSDIVIDGGYT-
General information:
TITO was launched using:
RESULT:
Template:
3R1I.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -177946 for 2135 contacts (-83.3/contact) +
2D Compatibility (PS) -26495 + (NN) -11165 + (LL) 1628
1D Compatibility (HY) -22400 + (ID) 4450
Total energy: -240828.0 ( -112.80 by residue)
QMean score : 0.564
(partial model without unconserved sides chains):
PDB file :
Tito_3R1I.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3R1I-query.scw
PDB file :
Tito_Scwrl_3R1I.pdb
: