Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSKVAIVTGAGQGIGFAIAKRLHADGFKIGVLDYNEETAQAAVDKLSPEDAVAVVADVSKRDQVFDAFQKVVDTFGDLNVVVNNAGVAPTTPLDTITEEQFEKAFAINVGGTIWGSQAAQKHFRELGHGGKIINATSQAGCEGNPNLTVYGGTKFAVRGITQTLAKDLASEGITVNAYAPGIVKTPMMFDIAHEVGKNAGKDDEWGMEQFAKDITLKRLSEPEDVANAVGFLAGDDSNYITGQTIVVDGGMVFH
3WDS Chain:A ((11-262))
SGRKAIVTGGSKGIGAAIARALDKAGATVAIADLDVMAAQAVVAGLE-NGGFAVEVDVTKRASVDAAMQKAIDALGGFDLLCANAGVSTMRPAVDITDEEWDFNFDVNARGVFLANQIACRHFLASNTKGVIVNTASLAAKVGAPLLAHYSASKFAVFGWTQALAREMAPKNIRVNCVCPGFVKTAMQEREIIWEAELRGMTPEAVRAEYVSLTPLGRIEEPEDVADVVVFLASDAARFMTGQGINVTGGVRMD
General information:
TITO was launched using:
RESULT:
Template:
3WDS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -113775 for 2278 contacts (-49.9/contact) +
2D Compatibility (PS) -26976 + (NN) -5597 + (LL) -140
1D Compatibility (HY) -14000 + (ID) 4800
Total energy: -165288.0 ( -72.56 by residue)
QMean score : 0.660
(partial model without unconserved sides chains):
PDB file :
Tito_3WDS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3WDS-query.scw
PDB file :
Tito_Scwrl_3WDS.pdb
: