Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNSINIAIDGPASSGKSTVAKIIAKNLNYTYLDTGAMYRCATYLALQHGYEAQDVSKILGLLAERPISFGKAEDGSQTVFIGTEEVTLAIRQNDVTNNVSWVSAIPEIREELVNQQRRIAKD-GAIIMDGRDIGTVVLPDAELKIFLVASVDERAERRFKENQEKGIESDFETLKSEIAARDYKDSHREVSPLKAAEDAIEFDTTGVSIEGVVTFIQEKAEKIIDMKN
4DIE Chain:A ((4-216))
--SMVVAVDGPSGTGKSSVAKELARQLGASYLDTGAMYRIVTLWVLRAGVDLTDPAAIAAATDQVPMSVSSDPD-AQTALLAGEDVSVPIRGNEVTGAVSAVSAVPAVRERLVRQQRELAESSGAVVVEGRDIGTVVLPDADVKIYLTASAQARAQRRNAQN-----------VLADVQRRDHLDSTR----LRPAEDALEVDTSDMTQEQVVAHLLDLVRT------
General information:
TITO was launched using:
RESULT:
Template:
4DIE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -117295 for 1536 contacts (-76.4/contact) +
2D Compatibility (PS) -20707 + (NN) -7019 + (LL) 1292
1D Compatibility (HY) -14800 + (ID) 4650
Total energy: -163179.0 ( -106.24 by residue)
QMean score : 0.554
(partial model without unconserved sides chains):
PDB file :
Tito_4DIE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4DIE-query.scw
PDB file :
Tito_Scwrl_4DIE.pdb
: