Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
------MDSHSPIATVAQALRRAERILVITGAGLSADSGMPTYRGLGGLYNGRTEEGLPIEAALSGPMLRRDPALCWKYLAELGKACLAARPNAGHEAIAELQKHKPECWVLTQNIDGFHRQAGSPAERLIEIHGELAPLYCQSCGAESGGLEEHLHGQLPPRCAACGGVLRPPVVLFEEMLPEEAIDTLYRELRKGFDAVLVVGTTASFPYIVEPVLRTRQAGGFTAEVNPGVTDLSERVDVKMTGRALDIMPQVVSHIYR---
1ICI Chain:A ((1-256))
GSHHHHHHGSHMDEKLLKTIAESKYLVALTGAGVSAESGIPTFRGKDGLWNRY-----RPEELANPQAFAKDPEKVWKWYAWRMEKVFNAQPNKAHQAFAELERLGVLKCLITQNVDDLHERAGSR--NVIHLHGSLRVVRCTSCNNSFE-VESAPKIPPLPKCDKCGSLLRPGVVWFGEMLPPDVLDRAMREVERA-DVIIVAGTSAVVQPAASLPLIVKQRGGAIIEINPDETPLTPIADYSLRGKAGEVMDELVRHVRKALS
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) -139921 for 2094 contacts (-66.8/contact) +
2D Compatibility (PS) -26600 + (NN) -13549 + (LL) 472
1D Compatibility (HY) -14000 + (ID) 4100
Total energy: -197698.0 ( -94.41 by residue)
QMean score : 0.463
(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
: