Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNSINIAIDGPASSGKSTVAKIIAKNLNYTYLDTGAMYRCATYLALQHGYEAQDVSKILGLLAERPISFGKAEDGSQTVFIGTEEVTLAIRQNDVTNNVSWVSAIPEIREELVNQQRRIAKDGAIIMDGRDIGTVVLPDAELKIFLVASVDERAERRFKENQEKGIESDFETLKSEIAARDYKDSHREVSPLKAAEDAIEFDTTGVSIEGVVTFIQEKAEKIIDMKN
1Q3T Chain:A ((14-234))
MKTIQIAIDGPASSGKSTVAKIIAKDFGFTYLDTGAMYRAATYMALKNQLGVEEVEALLALLDQHPISFGRSETGDQLVFVGDVDITHPIRENEVTNHVSAIAAIPEVREKLVSLQQEIAQQGGIVMDGRDIGTVVLPQAELKIFLVASVDERAERRYKENIAKGIETDLETLKKEIAARDYKDSHRETSPLKQAEDAVYLDTTGLNIQEVVEKIKAEAEKRM----
General information:
TITO was launched using:
RESULT:
Template:
1Q3T.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -100304 for 1703 contacts (-58.9/contact) +
2D Compatibility (PS) -23598 + (NN) -10986 + (LL) 540
1D Compatibility (HY) -23600 + (ID) 7400
Total energy: -165348.0 ( -97.09 by residue)
QMean score : 0.674
(partial model without unconserved sides chains):
PDB file :
Tito_1Q3T.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1Q3T-query.scw
PDB file :
Tito_Scwrl_1Q3T.pdb
: