Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MHATSSDDFSLSSRVALVTGAGRGIGRGIALALARAGADVAVADLDPQVAEETAAAIRSLGRRSLALGVDVSDGDSVRAMVERVATEFGRLDVAVNNAGVISIRKVAELSLADWDRVMNVNARGVFLCCQAELPLMQAQRWGRIVNLSSIAGKVGLPDLAHYCASKFAVIGFSNALAKEVARDGVTVNALCPGIVGTGMWRGEDGLSGRWRQAGESEAQSWERHQASLLPQGEAQTVEDMGQLVVYLAC--APHVTGQAIAVDGGFSL
4NBU Chain:C ((11-250))
----------LQDKVAIITGAANGIGLEAARVFMKEGAKVVIADFNEAAGKEAVEANPGV----VFIRVDVSDRESVHRLVENVAERFGKIDILINNAGITRDSMLSKMTVDQFQQVINVNLTGVFHCTQAVLPYMAEQGKGKIINTSSVTGTYGNVGQTNYAAAKAGVIGMTKTWAKELARKGINVNAVAPGFTETAM-------------VAEVPEKVIEKMKAQ-VPMGRLGKPEDIANAYLFLASHESDYVNGHVLHVDGGIMM
General information:
TITO was launched using:
RESULT:
Template:
4NBU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -179958 for 2104 contacts (-85.5/contact) +
2D Compatibility (PS) -25854 + (NN) -10802 + (LL) 912
1D Compatibility (HY) -17600 + (ID) 4500
Total energy: -237802.0 ( -113.02 by residue)
QMean score : 0.526
(partial model without unconserved sides chains):
PDB file :
Tito_4NBU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4NBU-query.scw
PDB file :
Tito_Scwrl_4NBU.pdb
: