Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTARPLSELVERGWAAALEPVADQVAHMGQFLRAEIAAGRRYLPAGSNVLRAFTFPFDNVRVLIVGQDPYPTPGHAVGLSFSVAPDVRPWPRSLANIFDEYTADL-GYPLPSNGDLTPWAQRGVLLLNRVLTVRPSNPASHRGKGWEAVTECAIRALAARAAPLVAILWGRDASTLKPMLAAGNCVAIESPHPSPLSASRGFFGSRPFSRANELLVGMGAEPIDWRLP
4SKN Chain:E ((55-221))
----------------------------------------------------------DVKVVILGQNPYHGPNQAHGLCFSVQRPVPP-PPSLENIYKELSTDIEDFVHPGHGDLSGWAKQGVLLLNAVLTVRAHQANSHKERGWEQFTDAVVSWLNQNSNGLVFLLWGSYAQKKGSAIDRKRHHVLQTAHPSPRSVYRGFFGCRHFSKTNELLQKSGKKPIDWK--
General information:
TITO was launched using:
RESULT:
Template:
4SKN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -80145 for 1306 contacts (-61.4/contact) +
2D Compatibility (PS) -18215 + (NN) -14188 + (LL) 4864
1D Compatibility (HY) -13200 + (ID) 3750
Total energy: -124634.0 ( -95.43 by residue)
QMean score : 0.452
(partial model without unconserved sides chains):
PDB file :
Tito_4SKN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4SKN-query.scw
PDB file :
Tito_Scwrl_4SKN.pdb
: