Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLETKDLNLFLGNKHVLKNISLSIPVRGEIIGIMGPNGAGKSSLIKSLIGEFN-ATGTKLLYNKPIQ-----QQLQHITYIPQKAHIDLDFPISVEQVILSGCYKEIGWFRRPNKSARDKLKQLLSDLELESLRHRQISELSGGQLQRVLVARALMSESEVYFLDEPFVGIDFSSEKLIMTKIENLKQQ--GKLILIIHHDLSKAKQYFDRIILL-NQTLRYFGDSEEAMSVTRLNETFMSSTDCSDPSQRSNITC
2IHY Chain:A ((21-255))
LIQLDQIGRMKQGKTILKKISWQIA-KGDKWILYGLNGAGKTTLLNILNAYEPATSGTVNLFGKMP-GYSAETVRQHIGFVSHSLLEKFQEGERVIDVVISGA---------IDDEIRNEAHQLLKLVGMSAKAQQYIGYLSTGEKQRVMIARALMGQPQVLILDEPAAGLDFIARESLLSILDSLSDSYPTLAMIYVTHFIEEITANFSKILLLKDGQSIQQGAVEDILTSEN----------------------
General information:
TITO was launched using:
RESULT:
Template:
2IHY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -154237 for 1683 contacts (-91.6/contact) +
2D Compatibility (PS) -23249 + (NN) -9809 + (LL) 1812
1D Compatibility (HY) -13200 + (ID) 2900
Total energy: -201583.0 ( -119.78 by residue)
QMean score : 0.447
(partial model without unconserved sides chains):
PDB file :
Tito_2IHY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IHY-query.scw
PDB file :
Tito_Scwrl_2IHY.pdb
: