Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRAVVELLAGARRLVIFTGAGVSAESGIPTFRDALGGLWARYDPAALATPAAFADDPALVWGWYEWRRLKVLGVQPNPAHRAIAALSGRIANTRLVTQNVDDLHERAGSRDVLHLHGSLHAPRCATCAAAYRDALPDSVEPEEGRRIEP-PRCPACGGQVRPGVVWFGEALPEAALREAFAAACECDLLLSVGTSGVVQPAARIPGLALEHGASVVHVNPQPVRTRHPREHCLVGPAGEVLPELLRRAFPG
4TWI Chain:A ((5-238))
---LLKTIAESKYLVALTGAGVSAESGIPTFRGK-DGLWNRYRPEELANPQAFAKDPEKVWKWYAWRMEKVFNAQPNKAHQAFAELERLGVLKCLITQNVDDLHERAGSRNVIHLHGSLRVVRCTSCN--------NSFEVESAPKIPPLPKCDKCGSLLRPGVVWFGEMLPPDVLDRAMREVERADVIIVAGTSAVVQPAASLPLIVKQRGGAIIEINPDETPLTPIADYSLRGKAGEVMDELVRHVRKA
General information:
TITO was launched using:
RESULT:
Template:
4TWI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -126105 for 1954 contacts (-64.5/contact) +
2D Compatibility (PS) -25367 + (NN) -14667 + (LL) 1212
1D Compatibility (HY) -18800 + (ID) 5900
Total energy: -189627.0 ( -97.05 by residue)
QMean score : 0.536
(partial model without unconserved sides chains):
PDB file :
Tito_4TWI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4TWI-query.scw
PDB file :
Tito_Scwrl_4TWI.pdb
: