Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
------------MRAVVELLAGARRLVIFTGAGVSAESGIPTFRDALGGLWARYDPAALATPAAFADDPALVWGWYEWRRLKVLGVQPNPAHRAIAALSGRIANTRLVTQNVDDLHERAGSRDVLHLHGSLHAPRCATCAAAYRDALPDSVEPEEGRRIEPPRCPACGGQVRPGVVWFGEALPEAALREAFAAACECDLLLSVGTSGVVQPAARIPGLALEHGASVVHVNPQPVRTRHPREHCLVGPAGEVLPELLRRAFPG--
1ICI Chain:A ((1-256))
GSHHHHHHGSHMDEKLLKTIAESKYLVALTGAGVSAESGIPTFRGK-DGLWNRYRPEELANPQAFAKDPEKVWKWYAWRMEKVFNAQPNKAHQAFAELERLGVLKCLITQNVDDLHERAGSRNVIHLHGSLRVVRCTSCNNSFEVESAPKIPP-------LPKCDKCGSLLRPGVVWFGEMLPPDVLDRAMREVERADVIIVAGTSAVVQPAASLPLIVKQRGGAIIEINPDETPLTPIADYSLRGKAGEVMDELVRHVRKALS
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) -129700 for 2044 contacts (-63.5/contact) +
2D Compatibility (PS) -26519 + (NN) -18640 + (LL) 720
1D Compatibility (HY) -17600 + (ID) 5700
Total energy: -197439.0 ( -96.59 by residue)
QMean score : 0.481
(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
: