Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
------MINSRFYEG-------FEGEAELSFVAGDNKLLIW---NGYFETILDNLLDCNVEREGVLKEYFNHEGWYDDSP---WMIEDNSLTIIQLKCFDINKINQTSMKDDLEEVVKTIISFLENNRFSKIYIEYE----
1K3E Chain:A ((1-146))
MSSRSELLLEKFAEKIGIGSISFNENRLCSFAIDEIYYISLSDANDEYMMIYGVCGKFPTDNSNFALEILNANLWFAENGGPYLCYEAGAQSLLLALRFPLDDATPEKLENEIEVVVKSMENLYLVLHNQGITLKIEEISS
General information:
TITO was launched using:
RESULT:
Template:
1K3E.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -40434 for 663 contacts (-61.0/contact) +
2D Compatibility (PS) -12130 + (NN) 1352 + (LL) 0
1D Compatibility (HY) -8800 + (ID) 900
Total energy: -60912.0 ( -91.87 by residue)
QMean score : 0.245
(partial model without unconserved sides chains):
PDB file :
Tito_1K3E.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1K3E-query.scw
PDB file :
Tito_Scwrl_1K3E.pdb
: