Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPKPKKNTLPCSLSVKMSYFMRLLIKWRTRSLSHKMMTLVQILSILALASKASEDLEEQLKKIKDYIYKTLNAKIASDVYDRVLILVNEYCANEEL--FDKE-SVKISDLLIQDIQLYALVDEMLKEDKYQVQHTILKGIIKRKYDEAYSLNSEDRILLEYQERLLEPSYASFSNKKFK
3N1E Chain:A ((55-128))
-----------------------------------------------------RNICKQMTKMHEAIFDLLPEEQTQMLFLRINASYKLHLKKQLSHLNVINDGGPQNGLVTADVAFYTGNLQALKGLKDLDLNMAEIWE---------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3N1E.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -12792 for 367 contacts (-34.9/contact) +
2D Compatibility (PS) -7636 + (NN) -3467 + (LL) 8300
1D Compatibility (HY) -1200 + (ID) 500
Total energy: -17295.0 ( -47.13 by residue)
QMean score : 0.418
(partial model without unconserved sides chains):
PDB file :
Tito_3N1E.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3N1E-query.scw
PDB file :
Tito_Scwrl_3N1E.pdb
: