Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTSSEPAHGATPKRSPSEGSADNAALCDALAVEHATIYGYGIVSALSPP-GVNFLVADALKQHRHRRDDVIVMLSARGVTAPIAAAGYQ-------L-PMQVSSAADAARLAVRMENDGATAWRAVVEHAETADDRVFASTALTESAVMATRWNRVLGAWPITAAFPGGDE
2RBD Chain:A ((13-141))
----------------PLHYGEVFSTWTYLSTNNGLINGYRSFINHTGDEDLKNLIDEAIQAMQDENHQLEELLRSNGVGLPPAPP-DRPAARLDDIPVGARFNDPEISATISMDVAKGLVTCSQIIGQSIREDVALMFSQFHMAK-------------------------
General information:
TITO was launched using:
RESULT:
Template:
2RBD.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -20172 for 823 contacts (-24.5/contact) +
2D Compatibility (PS) -13054 + (NN) -6963 + (LL) 1656
1D Compatibility (HY) -1200 + (ID) 700
Total energy: -40433.0 ( -49.13 by residue)
QMean score : 0.323
(partial model without unconserved sides chains):
PDB file :
Tito_2RBD.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2RBD-query.scw
PDB file :
Tito_Scwrl_2RBD.pdb
: