Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNQTNLDDTLDVLNDLLQTSKDGEAGFHACAEDLRDPQLKAAMLEQSRDCAAAADELERIVLELGGKPKDSTSFAGDLHRRWVDLKSL-V-TGKDEEAVLNECERGEDVAKHRYQAALEKSLPAEIHQVIERQYQGVLRHHDRVRALRDARA
2RBD Chain:A ((16-153))
------YGEVFSTWTYLSTNNGLINGYRSFINHTGDEDLKNLIDEAIQAMQDENHQLEELLRSNGVGLPPAPPDRP-----AARLDDIPVGARFNDPEISATISMDVAKGLVTCSQIIGQSIREDVALMFSQFHMAKVQFGGKMLKLNKNKG
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) -9513 for 936 contacts (-10.2/contact) +
2D Compatibility (PS) -15337 + (NN) -10560 + (LL) 740
1D Compatibility (HY) -4800 + (ID) 700
Total energy: -40170.0 ( -42.92 by residue)
QMean score : 0.599
(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
: