Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MFNFFKKIVNKIKGEEVKEKKRESVPKEELEEILIGFDIQYDLIESLLKHLGDLITPKQLEVALLRFVRGESYYDKTRLKTITTKPLVHLIVGVNGAGKTTTIAKLAKLSLKQHKKALLGAGDTFRAAAVKQLQLWGEKLNVQVISAKEGSDPSSLAYNTIESAIAKNIDEVFIDTAGRLHNQTNLKNELSKIAHTCSKVLKDAPFYKFLILDGTQGSSGLTQAKIFHETLALDGVIMTKLDGTSKGGAILSVLYELKLPILYLGMGEKEDDLIAFDEERFIEDLVDAVFVEQ
2Q9A Chain:A ((63-303))
-----------------------------------------DLKEAVKEKLVGMLEPDERRATLRKL-----GFNPQKPKPVEPKGRVVLVVGVNGVGKTTTIAKLGRYYQNLGKKVMFCAGDTFRAAGGTQLSEWGKRLSIPVIQGPEGTDPAALAYDAVQAMKARGYDLLFVDTAGRLHTKHNLMEELKKVKRAIAKADPEEPKEVWLVLDAVTGQNGLEQAKKFHEAVGLTGVIVTKLDGTAKGGVLIPIVRTLKVPIKFVGVGEGPDDLQPFDPEAFVEALLED-----
General information:
TITO was launched using:
RESULT:
Template:
2Q9A.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -155455 for 1980 contacts (-78.5/contact) +
2D Compatibility (PS) -26211 + (NN) -14393 + (LL) 4552
1D Compatibility (HY) -18400 + (ID) 5300
Total energy: -215207.0 ( -108.69 by residue)
QMean score : 0.583
(partial model without unconserved sides chains):
PDB file :
Tito_2Q9A.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2Q9A-query.scw
PDB file :
Tito_Scwrl_2Q9A.pdb
: