Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGFLKGKKGLIVGVANNKSIAYGIAQSCFNQGATLAFTYLNESLEKRVRPIAQELNSPYVYELDVSKEEHFKSLYNNIKQDLGSLDFIVHSVAFAPKEALEGSLLETSKSAFNTAMEISVYSLIELTNTLKPLLNNGASVLTLSYLGSTKYMAHYNVMGLAKAALESAVRYLAVDLGKHNIRVNALSAGPIRTLASSGIADFRMILKWNEINAPLRKNVSLEEVGNAGMYLLSSLSNGVSGEVHFVDAGYHVMGMGAVEEKDNKATLLWDLHKEQ
2WYU Chain:A ((6-256))
---LSGKKALVMGVTNQRSLGFAIAAKLKEAGAEVALSYQAERLRPEAEKLAEALGGALLFRADVTQDEELDALFAGVKEAFGGLDYLVHAIAFAPREAMEGRYIDTRRQDWLLALEVSAYSLVAVARRAEPLLREGGGIVTLTYYASEKVVPKYNVMAIAKAALEASVRYLAYELGPKGVRVNAISAGPVRTVAARSIPGFTKMYDRVAQTAPLRRNITQEEVGNLGLFLLSPLASGITGEVVYVDAGYHIMG---------------------
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) -181494 for 2182 contacts (-83.2/contact) +
2D Compatibility (PS) -27236 + (NN) -6130 + (LL) 1856
1D Compatibility (HY) -29200 + (ID) 5500
Total energy: -247704.0 ( -113.52 by residue)
QMean score : 0.540
(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
: