Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTKTAKVNDIVRDWVVLDAKDKVFGRLITEIAVLLRGKHRPFYTPNVDCGDFVVVINANKVKFSGMKLEDKEYFTHSGYFGSTKSKTLQEMLEKTPEKLYHLAVRGMLP-KTKLGKAMIKKLKVYRDDKHPHTAQTSKKDAK------------------------
1JJ2 Chain:I ((4-145))
--------AEFDADVIVDARDCIMGRVASQVAEQALD------------GETVAVVNAERAVITGREEQIVEKYEKRVDIGNDNGY----FYPKRPDGIFKRTIRGMLPHKKQRGREAFESVRVYLGNPYDEDGEVLDGTSLDRLSNIKFVTLGEISETLGANKTW
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) -44626 for 818 contacts (-54.6/contact) +
2D Compatibility (PS) -12817 + (NN) -5039 + (LL) 1444
1D Compatibility (HY) -3600 + (ID) 1300
Total energy: -65938.0 ( -80.61 by residue)
QMean score : 0.514
(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
: