Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MFNFFKKIVNKIKGEEVKEKKRESVPKEELEEILIGFDIQYDLIESLLKHLGDLITPKQLEVALLRFVRGESYYDKTRLKTITTKPLVHLIVGVNGAGKTTTIAKLAKLSLKQHKKALLGAGDTFRAAAVKQLQLWGEKLNVQVISAKEGSDPSSLAYNTIESAIAKNIDEVFIDTAGRLHNQTNLKNELSKIAHTCSKVLKDAPFYKFLILDGTQGSSGLTQAKIFHETLALDGVIMTKLDGTSKGGAILSVLYELKLPILYLGMGEKEDDLIAFDEERFIEDLVDAVFVEQ
2YHS Chain:A ((293-492))
-------------------------------------------------------------------------------------PFVILMVGVNGVGKTTTIGKLARQFEQQGKSVMLAAGDTFRAAAVEQLQVWGQRNNIPVIAQHTGADSASVIFDAIQAAKARNIDVLIADTAGRLQNKSHLMEELKKIVRVMKKLDVEAPHEVMLTIDASTGQNAVSQAKLFHEAVGLTGITLTKLDGTAKGGVIFSVADQFGIPIRYIGVGERIEDLRPFKADDFIEALFAR-----
General information:
TITO was launched using:
RESULT:
Template:
2YHS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -131550 for 1673 contacts (-78.6/contact) +
2D Compatibility (PS) -21906 + (NN) -11480 + (LL) 7804
1D Compatibility (HY) -16400 + (ID) 4900
Total energy: -178432.0 ( -106.65 by residue)
QMean score : 0.529
(partial model without unconserved sides chains):
PDB file :
Tito_2YHS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2YHS-query.scw
PDB file :
Tito_Scwrl_2YHS.pdb
: