Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLETKDLNLFLGNKHVLKNISLSIPVRGEIIGIMGPNGAGKSSLIKSLIGEFNATGTKLLYNK------PIQQQLQH-ITYIPQKAHIDLDFPISVEQVILSGCYKEIGWFRRPNKSARDKLKQLLSDLELESLRHRQISELSGGQLQRVLVARALMSESEVYFLDEPFVGIDFSSEKLIMTKIENLKQQGKLILIIHHDLSKAKQYFDRIILLNQTLRYFGDSEEAMSVTRLNETFMSSTDCSDPSQRSNITC
4QC2 Chain:A ((4-212))
-LTAKNLAKAYKGRRVVEDVSLTVN-SGEIVGLLGPNGAGKTTTFYMVVGIVPRDAGNIIIDDDDISLLPLHARARRGIGYLPQEASIFRRLSVYDNLMAVLQIRDDLSAEQR-----EDRANELMEEFHIEHLRDSMGQSLSGGERRRVEIARALAANPKFILLDEPFAGVDPISVIDIKRIIEHLRDSGLGVLITDHNVRETLAVCERAYIVSQ--------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
4QC2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -118700 for 1567 contacts (-75.7/contact) +
2D Compatibility (PS) -22258 + (NN) -9350 + (LL) 2232
1D Compatibility (HY) -14000 + (ID) 2950
Total energy: -165026.0 ( -105.31 by residue)
QMean score : 0.522
(partial model without unconserved sides chains):
PDB file :
Tito_4QC2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4QC2-query.scw
PDB file :
Tito_Scwrl_4QC2.pdb
: