Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLSVAIIGPGAVGTTIAYELQQSLPHTTLIGRHAKTITYYTVPHAPAQDIVVKGYEDVTNTFDVIIIAVKTHQLDAVIPHLTYLAHEDTLIILAQNGYGQLEHIPFKNVCQAVVYISGQKKGDVVTHFRDYQLRIQDNALTRQFRDLVQDSQIDIVLEANIQQAIWYKLLVNLGINSITALGRQTVAIMHNPEIRILCRQLLLDGCRVAQAEGLNFSEQTVDTIMTIYQGYPDEMGTSMYYDIVHQQPLEVEAIQGFIYRRAREHNLDTPYLDTIYSFLRAYQQNM
4S3M Chain:A ((3-283))
-LSVAIIGPGAVGTTIAYELQQSLPHTTLIGRHAKTITYYTVPHAPAQDIVVKGYEDVTNTFDVIIIAVKTHQLDAVIPHLTYLAHEDTLIILAQNGYGQLEHIPFKNVCQAVVYISGQKKGDVVTHFRDYQLRIQDNALTRQFRDLVQDSQIDIVLEANIQQAIWYKLLVNLGINSITLLGRQTVAIMHNPEIRILCRQLLLDGCRVAQAEGLNFSEQTVDTIMTIYQGY------------------EVEAIQGFIYRRAREHNLDTPYLDTIYSFLRAY----
General information:
TITO was launched using:
RESULT:
Template:
4S3M.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -270928 for 2162 contacts (-125.3/contact) +
2D Compatibility (PS) -28132 + (NN) -4381 + (LL) 1556
1D Compatibility (HY) -41600 + (ID) 13100
Total energy: -356585.0 ( -164.93 by residue)
QMean score : 0.640
(partial model without unconserved sides chains):
PDB file :
Tito_4S3M.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4S3M-query.scw
PDB file :
Tito_Scwrl_4S3M.pdb
: