Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRAVVELLAGARRLVIFTGAGVSAESGIPTFRDALGGLWARYDPAALATPAAFADDPALVWGWYEWRRLKVLGVQPNPAHRAIAALSGRIANTRLVTQNVDDLHERAGSRDVLHLHGSLHAPRCATCAAAYRDALPDSVEPEEGRRIEP-PRCPACGGQVRPGVVWFGEALPEAALREAFAAACECDLLLSVGTSGVVQPAARIPGLALEHGASVVHVNPQPVRTRHPREHCLVGPAGEVLPELLRRAFPG
1ICI Chain:A ((16-249))
---LLKTIAESKYLVALTGAGVSAESGIPTFRGK-DGLWNRYRPEELANPQAFAKDPEKVWKWYAWRMEKVFNAQPNKAHQAFAELERLGVLKCLITQNVDDLHERAGSRNVIHLHGSLRVVRCTSCN--------NSFEVESAPKIPPLPKCDKCGSLLRPGVVWFGEMLPPDVLDRAMREVERADVIIVAGTSAVVQPAASLPLIVKQRGGAIIEINPDETPLTPIADYSLRGKAGEVMDELVRHVRKA
General information:
TITO was launched using:
RESULT:
Template:
1ICI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -121280 for 1962 contacts (-61.8/contact) +
2D Compatibility (PS) -25280 + (NN) -14517 + (LL) 1212
1D Compatibility (HY) -18800 + (ID) 5900
Total energy: -184565.0 ( -94.07 by residue)
QMean score : 0.489
(partial model without unconserved sides chains):
PDB file :
Tito_1ICI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1ICI-query.scw
PDB file :
Tito_Scwrl_1ICI.pdb
: