Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSHHWGYGKHNGPEHWHKDFPIANGERQSPVDIDTKAVVQDPALKPLALVYGEATSRRMVNNGHSFNVEYDDSQDKAVLKDGPLTGTYRLVQFHFHWGSSDDQGSEHTVDRKKYAAELHLVHWN-TKYGDFGTAAQQPDGLAVVGVFLKVGDANPALQKVLDALDSIKTKGKSTDFPNFDPGSLLPNVLDYWTYPGSLTTPPLLESVTWIVLKEPISVSSQQMLKFRTLNFNAEGEPELLMLANWRPAQPLKNRQVRGFPK
3ML5 Chain:A ((10-268))
--HGWGYGQDDGPSHWHKLYPIAQGDRQSPINIISSQAVYSPSLQPLELSYEACMSLSITNNGHSVQVDFNDSDDRTVVTGGPLEGPYRLKQFHFHWGKKHDVGSEHTVDGKSFPSELHLVHWNAKKYSTFGEAASAPDGLAVVGVFLETGDEHPSMNRLTDALYMVRFKGTKAQFSCFNPKSLLPASRHYWTYPGSLTTPPLSESVTWIVLREPISISERQMGKFRSLLFTSEDDERIHMVNNFRPPQPLKGRVVKASFR
General information:
TITO was launched using:
RESULT:
Template:
3ML5.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -114009 for 2103 contacts (-54.2/contact) +
2D Compatibility (PS) -27999 + (NN) -17855 + (LL) 180
1D Compatibility (HY) -22400 + (ID) 7250
Total energy: -189333.0 ( -90.03 by residue)
QMean score : 0.543
(partial model without unconserved sides chains):
PDB file :
Tito_3ML5.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3ML5-query.scw
PDB file :
Tito_Scwrl_3ML5.pdb
: