Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTYELPKLPYTYDALEPNFDKETMEIHYTKHHNTYVTKLNEAVAGHPELASKSAEELVTNLDSVPEDIRGAVRNHGGGHANHTLFWSILSPNGGGAPTGNLKAAIESEFGTFDEFKEKFNAAAAARFGSGWAWLVVN-DGKLEIVSTANQDSPLSDGKTPVLGLDVWEHAYYLKFQNRRPEYIETFWNVINWDEANKRFDAAK
2NYB Chain:A ((1-192))
-SFELPALPYAKDALAPHISAETIEYHYGKHHQTYVTNLNNLIKGTA-FEGKSLEEIIR-------SSEGGVFNNAAEVWNHTFYWNCLAPNAGGEPTGKVAEAIAASFGSFADFKAQFTDAAIKNFGSGWTWLVKNSDGKLAIVSTSNAGTPLTTDATPLLTVDVWEHAYYIDYRNARPGYLEHFWALVNWEFVAKNLAA--
General information:
TITO was launched using:
RESULT:
Template:
2NYB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -62707 for 1522 contacts (-41.2/contact) +
2D Compatibility (PS) -20411 + (NN) -9462 + (LL) 668
1D Compatibility (HY) -20400 + (ID) 4800
Total energy: -117112.0 ( -76.95 by residue)
QMean score : 0.693
(partial model without unconserved sides chains):
PDB file :
Tito_2NYB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2NYB-query.scw
PDB file :
Tito_Scwrl_2NYB.pdb
: