Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRTTYMAKPGEVERKWYVIDATGVSLGRLSSEVASILRGKNKPQFTPHIDTGDFVIIINAGKIGLTGKKATDKIYYRHSQYPGGLKSRTAGEMRTNNPEKLLELSIKGMLP-KNSLGRQLFKKLHVYGGSEHEHAAQQPEVYELRG----------------------
1JJ2 Chain:I ((4-145))
----------AEFDADVIVDARDCIMGRVASQVAEQALD------------GETVAVVNAERAVITGREEQIVEKYEKRVDIGNDN----GYFYPKRPDGIFKRTIRGMLPHKKQRGREAFESVRVYLGNPYDEDGEVLDGTSLDRLSNIKFVTLGEISETLGANKTW
General information:
TITO was launched using:
RESULT:
Template:
1JJ2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -50363 for 825 contacts (-61.0/contact) +
2D Compatibility (PS) -13026 + (NN) -4772 + (LL) 1172
1D Compatibility (HY) -2800 + (ID) 1500
Total energy: -71289.0 ( -86.41 by residue)
QMean score : 0.544
(partial model without unconserved sides chains):
PDB file :
Tito_1JJ2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1JJ2-query.scw
PDB file :
Tito_Scwrl_1JJ2.pdb
: