Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGFLKGKKGLIVGVANNKSIAYGIAQSCFNQGATLAFTYLNESLEKRVRPIAQELNSPYVYELDVSKEEHFKSLYNNIKQDLGSLDFIVHSVAFAPKEALEGSLLETSKSAFNTAMEISVYSLIELTNTLKPLLNNGASVLTLSYLGSTKYMAHYNVMGLAKAALESAVRYLAVDLGKHNIRVNALSAGPIRTLASSGIADFRMILKWNEINAPLRKNVSLEEVGNAGMYLLSSLSNGVSGEVHFVDAGYHVMGMGAVEEKDNKATLLWDLHKEQ
2WYV Chain:D ((6-257))
---LSGKKALVMGVTNQRSLGFAIAAKLKEAGAEVALSYQAERLRPEAEKLAEALGGALLFRADVTQDEELDALFAGVKEAFGGLDYLVHAIAFAPREAMEGRYIDTRRQDWLLALEVSAYSLVAVARRAEPLLREGGGIVTLTYYASEKVVPKYNVMAIAKAALEASVRYLAYELGPKGVRVNAISAGPVRTVAARSIPGFTKMYDRVAQTAPLRRNITQEEVGNLGLFLLSPLASGITGEVVYVDAGYHIMGM--------------------
General information:
TITO was launched using:
RESULT:
Template:
2WYV.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -184477 for 2125 contacts (-86.8/contact) +
2D Compatibility (PS) -27338 + (NN) -5483 + (LL) 1648
1D Compatibility (HY) -29600 + (ID) 5550
Total energy: -250800.0 ( -118.02 by residue)
QMean score : 0.570
(partial model without unconserved sides chains):
PDB file :
Tito_2WYV.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2WYV-query.scw
PDB file :
Tito_Scwrl_2WYV.pdb
: