Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTARPLSELVERGWAAALEPVADQVAHMGQFLRAEIAAGRRYLPAGSNVLRAFTFPFDNVRVLIVGQDPYPTPGHAVGLSFSVAPDVRPWPRSLANIFDEYTADLGYPLPSNGDLTPWAQRGVLLLNRVLTVRPSNPASHRGKGWEAVTECAIRALAARAAPLVAILWGRDASTLKPMLAAGNCVAIESPHPSPLSASRGFFGSRPFSRANELLVGMGAEPIDWRLP
4WS3 Chain:A ((15-238))
---RPLSELVERGWAAALEPVADQVAHMGQFLRAEIAAGRRYLPAGSNVLRAFTFPFDNVRVLIVGQDPYPTPGHAVGLSFSVAPDVRPWPRSLANIFDEYTADLGYPLPSNGDLTPWAQRGVLLLNRVLTVRPSNPASHRGKGWEAVTECAIRALAARAAPLVAILWGRDASTLKPMLAAGNCVAIESPHPSPLSASRGFFGSRPFSRANELLVGMGAEPIDWRLP
General information:
TITO was launched using:
RESULT:
Template:
4WS3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -149779 for 1831 contacts (-81.8/contact) +
2D Compatibility (PS) -24580 + (NN) -19601 + (LL) 404
1D Compatibility (HY) -29200 + (ID) 11200
Total energy: -233956.0 ( -127.77 by residue)
QMean score : 0.629
(partial model without unconserved sides chains):
PDB file :
Tito_4WS3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4WS3-query.scw
PDB file :
Tito_Scwrl_4WS3.pdb
: