Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSSTIHPLPSFGLGTFRLTGQVVVDSVRSALELGYRAIDTAQIYGNEADIGRAIAESGVPRSELFLTTKVWVDNYAREKLLASLRESLEKLRTDRLDLVLIHWPAPGNGVELGEYMAALAEAKSLGLTRRIGVSNFNIELTRQAIAAVGAGEISTNQIELSPYLQNRALTAYLEEQGIAVTSYMTLAYGKVLKDPTLAGIAARHRATVAQVALAWAMQLGYAVIPSSTRRENLASN-LLARDLRLDAEDMARIAGLERNGREVSPQGLAPAWD
3O0K Chain:A ((32-282))
--NDGNHIPQLGYGVWQISNDEAVSAVSEALKAGYRHIDTATIYGNEEGVGKAINGSGIARADIFLTTKLWNSDQGYESTLKAFDTSLKKLGTDYVDLYLIHWPMPSKD-LFMETWRAFIKLKEEGRVKSIGVSNFRTADLERLIKESG-VTPVLNQIELHPQFQQDELRLFHGKHDIATEAWSPLGQG-LLEDPTLKSIAEKHAKSVAQIILRWHIETGNIVIPKSITPARIKENFDIFD-FTLNGTDHDAITKL-----------------
General information:
TITO was launched using:
RESULT:
Template:
3O0K.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -133957 for 2116 contacts (-63.3/contact) +
2D Compatibility (PS) -27476 + (NN) -13689 + (LL) 1036
1D Compatibility (HY) -15600 + (ID) 4700
Total energy: -194386.0 ( -91.86 by residue)
QMean score : 0.563
(partial model without unconserved sides chains):
PDB file :
Tito_3O0K.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3O0K-query.scw
PDB file :
Tito_Scwrl_3O0K.pdb
: