Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
----MWM--------AGMLYLPRLYVYHATVKP-------GSESDSLLQTMERRFLRYIIN-------PAMLFSLSFG---IALMIIREAYREGWFHVKALALFFMFGIHG-LLAMHRKKFAMGSNEKNH------------VYFRVLNEMVTVLIIII------VIMIVVKPF
1WQS Chain:A ((1-173))
APPTLWSRVVRFGSGWGFWVSPTVFITTTHVIPTGVREFFGEPIESIAIHRAGEFTQFRFSRKVRPDLTGMVLEEGCPEGVVCSILIKRDSGELLPLAVRMGAIASMKIQGRLVHGQSGMLLTGANAKGMDLGTLPGDCGAPYVYKRNNDWVVCGVHAAATKSGNTVVCAVQA-
General information:
TITO was launched using:
RESULT:
Template:
1WQS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -149370 for 832 contacts (-179.5/contact) +
2D Compatibility (PS) -13188 + (NN) 5220 + (LL) 132
1D Compatibility (HY) -6000 + (ID) 1000
Total energy: -164206.0 ( -197.36 by residue)
QMean score : 0.153
(partial model without unconserved sides chains):
PDB file :
Tito_1WQS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1WQS-query.scw
PDB file :
Tito_Scwrl_1WQS.pdb
: