Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLDLSYSLERVLQEDPAARNKWEVLLLYPGIHALLCYRLAHALHKRRFYFIARALSQLARFITGIEIHPGAKIGRGLFIDHGMGVVIGETTEIGDDVTIYHGVTLGGTGKFK--------GKRHPTLGNRVVVGAGAKVLGAICVGDDVRIGANAVVLSDLPTGSTAVGAKAKTITKDR
3Q1X Chain:A ((101-267))
-RTLKTDLIAAYAGDPAAPGLSLIIRCYPGFQAVIVYRIAHVLYECGERYYCREMMESVHSYTSIDIHPGASIKGHFFIDHGVGVVIGETAIIGEWCRIYQSVTLGAMHFQEEGGVIKRGTKRHPTVGDYVTIGTGAKVLGNIIVGSHVRIGANCWIDRDVDSNQTVY-----------
General information:
TITO was launched using:
RESULT:
Template:
3Q1X.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -135625 for 1270 contacts (-106.8/contact) +
2D Compatibility (PS) -17181 + (NN) -9122 + (LL) 848
1D Compatibility (HY) -14400 + (ID) 3450
Total energy: -178930.0 ( -140.89 by residue)
QMean score : 0.594
(partial model without unconserved sides chains):
PDB file :
Tito_3Q1X.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3Q1X-query.scw
PDB file :
Tito_Scwrl_3Q1X.pdb
: