Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDFDTERVSRAVAAALVGPGGVALVVKVFAGLPGVIHTPARRGFFRSNPERIQIGDWRYEVAHDGRLLAAHMVNGIVIAEDALIAEAVGPHLAR-------ALGQIVSRYGATVIPNINAAIEVLGTGTDYRF----------------
1K3E Chain:A ((1-146))
MSS-RSELLLEKFAEKI-GIGSISFNENRLC--SFAIDEIYYISLSDANDEYMMIYGVCGKFPTDNSNFALEILN-----ANLWFAENGGPYLCYEAGAQSLLLALRFPLDDATPEKLENEIEVVVKSMENLYLVLHNQGITLKIEEISS
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) -12538 for 661 contacts (-19.0/contact) +
2D Compatibility (PS) -12642 + (NN) -4268 + (LL) 900
1D Compatibility (HY) -4400 + (ID) 1150
Total energy: -34098.0 ( -51.59 by residue)
QMean score : 0.038
(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
: