Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEKVIIFDMDGVIVDS-EYTFLDNKTEMLREEGID-TDVSYQYQYMGTTFEFMWQAMKEEFGLPKTVKEYIAEMNRRRQAIVAR--DGVRPIK---GAQRLIHWLHQHGYRLAVASSS---PMVDIKRNLKELGVTECFEYMVTGEDVSSSKPAPDVFLRAAELLDVDPKVCIVIEDTRNGSLAAKAAGMYCFGFANPDYPPQDLSMADKVISDYQDIYIYLPE
2WHE Chain:A ((1-192))
MFKAVLFDLDGVITDTAEYHFRAWKA-LAEEIGINGVDRQFNEQLKGVSREDSLQKILD-LADKKVSAEEFKELAKRKNDNYVKMIQDVSPADVYPGILQLLKDLRSNKIKIALASASKNGPFL-----LERMNLTGYFDAIADPAEVAASKPAPDIFIAAAHAVGVAPSESIGLEDSQAGIQAIKDSGALPIGVGRPEDLGDDIVIVPDTSHYTLEFLKEVWL
General information:
TITO was launched using:
RESULT:
Template:
2WHE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -109640 for 1370 contacts (-80.0/contact) +
2D Compatibility (PS) -20680 + (NN) -17113 + (LL) 420
1D Compatibility (HY) -8000 + (ID) 2950
Total energy: -157963.0 ( -115.30 by residue)
QMean score : 0.468
(partial model without unconserved sides chains):
PDB file :
Tito_2WHE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2WHE-query.scw
PDB file :
Tito_Scwrl_2WHE.pdb
: