Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTARPLSELVERGWAAALEPVADQVAHMGQFLRAEIAAGRRYLPAGSNVLRAFTFPFDNVRVLIVGQDPYPTPGHAVGLSFSVAPDVRPWPRSLANIFDEYTADLGYPLPSNGDLTPWAQRGVLLLNRVLTVRPSNPASHRGKGWEAVTECAIRALAARAAPLVAILWGRDASTLKPMLAAGNCVAIESPHPSPLSASRGFFGSRPFSRANELLVGMGAEPIDWRLP
4WS4 Chain:A ((12-238))
MTARPLSELVERGWAAALEPVADQVAHMGQFLRAEIAAGRRYLPAGSNVLRAFTFPFDNVRVLIVGQDPYPTPGHAVGLSFSVAPDVRPWPRSLANIFDEYTADLGYPLPSNGDLTPWAQRGVLLLNRVLTVRPSNPASHRGKGWEAVTECAIRALAARAAPLVAILWGRDASTLKPMLAAGNCVAIESPHPSPLSASRGFFGSRPFSRANELLVGMGAEPIDWRLP
General information:
TITO was launched using:
RESULT:
Template:
4WS4.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -158271 for 1902 contacts (-83.2/contact) +
2D Compatibility (PS) -24821 + (NN) -18217 + (LL) 0
1D Compatibility (HY) -29600 + (ID) 11350
Total energy: -242259.0 ( -127.37 by residue)
QMean score : 0.613
(partial model without unconserved sides chains):
PDB file :
Tito_4WS4.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4WS4-query.scw
PDB file :
Tito_Scwrl_4WS4.pdb
: