Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLSVAIIGPGAVGTTIAYELQQSLPHTTLIGRHAKTITYYTVPHAPAQDIVVKGYEDVTNTFDVIIIAVKTHQLDAVIPHLTYLAHEDTLIILAQNGYGQLEHIPFKNVCQAVVYISGQKKGDVVTHFRDYQLRIQDNALTRQFRDLVQDSQIDIVLEANIQQAIWYKLLVNLGINSITALGRQTVAIMHNPEIRILCRQLLLDGCRVAQAEGLNFSEQTVDTIMTIYQGYPDEMGTSMYYDIVHQQPLEVEAIQGFIYRRAREHNLDTPYLDTIYSFLRAYQQNM
4S3M Chain:B ((4-285))
--SVAIIGPGAVGTTIAYELQQSLPHTTLIGRHAKTITYYTVPHAPAQDIVVKGYEDVTNTFDVIIIAVKTHQLDAVIPHLTYLAHEDTLIILAQNGYGQLEHIPFKNVCQAVVYISGQKKGDVVTHFRDYQLRIQDNALTRQFRDLVQDSQIDIVLEANIQQAIWYKLLVNLGINSITLLGRQTVAIMHNPEIRILCRQLLLDGCRVAQAEGLNFSEQTVDTIMTIYQ-------------------LEVEAIQGFIYRRAREHNLDTPYLDTIYSFLRAYQQ--
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) -271034 for 2142 contacts (-126.5/contact) +
2D Compatibility (PS) -28422 + (NN) -6975 + (LL) 1236
1D Compatibility (HY) -41200 + (ID) 13100
Total energy: -359495.0 ( -167.83 by residue)
QMean score : 0.613
(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
: