Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGFLKGKKGLIVGVANNKSIAYGIAQSCFNQGATLAFTYLNESLEKRVRPIAQELNSPYVYELDVSKEEHFKSLYNNIKQDLGSLDFIVHSVAFAPKEALEGSLLETSKSAFNTAMEISVYSLIELTNTLKPLLNNGASVLTLSYLGSTKYMAHYNVMGLAKAALESAVRYLAVDLGKHNIRVNALSAGPIRTLASSGIADFRMILKWNEINAPLRKNVSLEEVGNAGMYLLSSLSNGVSGEVHFVDAGYHVMGMGAVEEKDNKATLLWDLHKEQ
2WYV Chain:B ((6-257))
---LSGKKALVMGVTNQRSLGFAIAAKLKEAGAEVALSYQAERLRPEAEKLAEALGGALLFRADVTQDEELDALFAGVKEAFGGLDYLVHAIAFAPREAMEGRYIDTRRQDWLLALEVSAYSLVAVARRAEPLLREGGGIVTLTYYASEKVVPKYNVMAIAKAALEASVRYLAYELGPKGVRVNAISAGPVRT------------YDRVAQTAPLRRNITQEEVGNLGLFLLSPLASGITGEVVYVDAGYHIMGMEL------------------
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) -162311 for 1960 contacts (-82.8/contact) +
2D Compatibility (PS) -25842 + (NN) -3097 + (LL) 2432
1D Compatibility (HY) -28400 + (ID) 5400
Total energy: -222618.0 ( -113.58 by residue)
QMean score : 0.592
(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
: