Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
--------MRNDLETLKHIIDSSNRITFFTGAGVSVASGVPDFRSMGGLFDEISKDGLSPEYLLSRDYLEDDPEGFINFCHKRLL-FVDTKPNIVHDWIAKLERNQQSLGVITQNIDGLHSDAGSQHVDELHGTLNRFYCNACHKSYTKSDVID-RTLKHCDNCGGAIRPDIVLYGEMLDQPTIIRALNKIEHADTLVVLGSSLVVQPAAGLISHFK--GDNLIIINKDRTPYDSDATLVIHDDMVSVVKSLMTE------
1ICI Chain:A ((1-256))
GSHHHHHHGSHMDEKLLKTIAESKYLVALTGAGVSAESGIPTFRGKDGLWNR-----YRPEELANPQAFAKDPEKVWKWYAWRMEKVFNAQPNKAHQAFAELERLGVLKCLITQNVDDLHERAGSRNVIHLHGSLRVVRCTSCNNSFEVESAPKIPPLPKCDKCGSLLRPGVVWFGEMLPPDVLDRAMREVERADVIIVAGTSAVVQPAASLPLIVKQRGGAIIEINPDETPLTPIADYSLRGKAGEVMDELVRHVRKALS
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) -147683 for 1985 contacts (-74.4/contact) +
2D Compatibility (PS) -25725 + (NN) -10164 + (LL) -8
1D Compatibility (HY) -14800 + (ID) 4350
Total energy: -202730.0 ( -102.13 by residue)
QMean score : 0.477
(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
: