Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGFLKGKKGLIVGVANNKSIAYGIAQSCFNQGATLAFTYLNESLEKRVRPIAQELNSPYVYELDVSKEEHFKSLYNNIKQDLGSLDFIVHSVAFAPKEALEGSLLETSKSAFNTAMEISVYSLIELTNTLKPLLNNGASVLTLSYLGSTKYMAHYNVMGLAKAALESAVRYLAVDLGKHNIRVNALSAGPIRTLASSGIADFRMILKWNEINAPLRKNVSLEEVGNAGMYLLSSLSNGVSGEVHFVDAGYHVMGMGAVEEKDNKATLLWDLHKEQ
2WYU Chain:C ((6-257))
---LSGKKALVMGVTNQRSLGFAIAAKLKEAGAEVALSYQAERLRPEAEKLAEALGGALLFRADVTQDEELDALFAGVKEAFGGLDYLVHAIAFAPREAMEGRYIDTRRQDWLLALEVSAYSLVAVARRAEPLLREGGGIVTLTYYASEKVVPKYNVMAIAKAALEASVRYLAYELGPKGVRVNAISAGPVRTVAARSIPGFTKMYDRVAQTAPLRRNITQEEVGNLGLFLLSPLASGITGEVVYVDAGYHIMGME-------------------
General information:
TITO was launched using:
RESULT:
Template:
2WYU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -173413 for 2169 contacts (-80.0/contact) +
2D Compatibility (PS) -27033 + (NN) -4099 + (LL) 1528
1D Compatibility (HY) -29600 + (ID) 5550
Total energy: -238167.0 ( -109.80 by residue)
QMean score : 0.555
(partial model without unconserved sides chains):
PDB file :
Tito_2WYU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2WYU-query.scw
PDB file :
Tito_Scwrl_2WYU.pdb
: