Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTDNDDRIKLEASWKEALREEFDKPYMKQLGEFLRQEKAAGKVIFPPGPLIFNALNTTPLENVKVVIIGQDPYHGPGQAHGLCFSVQPGV-PTPPSLQNIYKELNRDLNIPIPNNGYLQRWAEQGVLLLNTSLTVEQAKAGSHANAGWQPFTDRVIEVVNERCERLVFLLWGSHAQSKQKLIDPQRHLILKSAHPSPLSAYRGFLGNGHFSRTNKFLEQNGKTPIDWSLPDL
4WRU Chain:A ((21-238))
---------VERGWAAALEPVADQ--VAHMGQFLRAEIAAGRRYLPAGSNVLRAF-TFPFDNVRVLIVGQDPYPTPGHAVGLSFSVAPDVRPWPRSLANIFDEYTADLGYPLPSNGDLTPWAQRGVLLLNRVLTVRPSNPASHRGKGWEAVTECAIRALAARAAPLVAILWGRDASTLKPMLAAGNCVAIESPHPSPLSASRGFFGSRPFSRANELLVGMGAEPIDWRLP--
General information:
TITO was launched using:
RESULT:
Template:
4WRU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -98441 for 1786 contacts (-55.1/contact) +
2D Compatibility (PS) -23829 + (NN) -16725 + (LL) 292
1D Compatibility (HY) -19600 + (ID) 4950
Total energy: -163253.0 ( -91.41 by residue)
QMean score : 0.553
(partial model without unconserved sides chains):
PDB file :
Tito_4WRU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4WRU-query.scw
PDB file :
Tito_Scwrl_4WRU.pdb
: