Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIYGIYMDRPLSQEETDRLMSFVSAEKREKCRRFYHKEDAHRTLLGDVLVRSVISEQYQLNKADIRFSAQEYGKPCIPDLPNAHFNISHSGHWVIGAFDSDPIGVDIEKMKPIS---LGIAERFFSKNEYSDLLSKHKDEQNDYFYHLWSMKESFIKQEGKGLSLPLDSFSVRLHEDGRVSVELPEH---------HTPCFIKTYEVDPGYKMAVCAARPDFPEDITMISYEALL
2WAS Chain:A ((1767-1885))
-----------------------------------------------------------------------------------------------------GGVGVDVELITSINVENDTFIERNFTPQEIEYCSAQ--PSVQSSFAGTWSAKEAVFKSLGV----ALKDIEIVRVNKNAPAVELHGNAKKAAEEAGVTDVK-VSISHDDLQAVAVAVST----------------
General information:
TITO was launched using:
RESULT:
Template:
2WAS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -19796 for 762 contacts (-26.0/contact) +
2D Compatibility (PS) -10998 + (NN) -4638 + (LL) 8368
1D Compatibility (HY) -3600 + (ID) 1200
Total energy: -31864.0 ( -41.82 by residue)
QMean score : 0.349
(partial model without unconserved sides chains):
PDB file :
Tito_2WAS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2WAS-query.scw
PDB file :
Tito_Scwrl_2WAS.pdb
: