Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MFNFFKKIVNKIKGEEVKEKKRESVPKEELEEILIGFDIQYDLIESLLKHLGDLITPKQLEVALLRFVRGESYYDKTRLKTITTKPLVHLIVGVNGAGKTTTIAKLAKLSLKQHKKALLGAGDTFRAAAVKQLQLWGEKLNVQVISAKEGSDPSSLAYNTIESAIAKNIDEVFIDTAGRLHNQTNLKNELSKIAHTCSKVLKDAPFYKFLILDGTQGSSGLTQAKIFHETLALDGVIMTKLDGTSKGGAILSVLYELKLPILYLGMGEKEDDLIAFDEERFIEDLVDAVFVEQ
2Q9B Chain:A ((63-303))
-----------------------------------------DLKEAVKEKLVGMLEPDERRATLRKL-----GFNPQKPKPVEPKGRVVLVVGVNGVGKTTTIAKLGRYYQNLGKKVMFCAGDTFRAAGGTQLSEWGKRLSIPVIQGPEGTDPAALAYDAVQAMKARGYDLLFVDTAGRLHTKHNLMEELKKVKRAIAKADPEEPKEVWLVLDAVTGQNGLEQAKKFHEAVGLTGVIVTKLDGTAKGGVLIPIVRTLKVPIKFVGVGEGPDDLQPFDPEAFVEALLE------
General information:
TITO was launched using:
RESULT:
Template:
2Q9B.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -151433 for 1964 contacts (-77.1/contact) +
2D Compatibility (PS) -26298 + (NN) -14916 + (LL) 4672
1D Compatibility (HY) -18400 + (ID) 5300
Total energy: -211675.0 ( -107.78 by residue)
QMean score : 0.563
(partial model without unconserved sides chains):
PDB file :
Tito_2Q9B.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2Q9B-query.scw
PDB file :
Tito_Scwrl_2Q9B.pdb
: