Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSKLLSGQVALVTGGAAGIGRATALAFAAAGVKVVVADLDSAGGEGTVEAIRQAGGEALFIRCDVTRDAEVKALVEGCAAAYGRLDYAFNNAGIEIEQGKLADGNEAEFDAIMAVNVKGVWLCMKHQIPLMLAQ-GGGAIVNTASVAGLGAAPKMSIYAASKHAVIGLTKSAAIEYAKKGIRVNAVCPAVIDTDMFRRAYEAD--------PRKAEFAAAMHPLGRVGRVEEIAAAVLYLCCDNAGFTTGIALPVDGGATAI
3WDS Chain:A ((8-262))
--FDLSGRKAIVTGGSKGIGAAIARALDKAGATVAIADLDVMAAQAVVAGLE---NGGFAVEVDVTKRASVDAAMQKAIDALGGFDLLCANAGVSTMR-PAVDITDEEWDFNFDVNARGVFLANQIACRHFLASNTKGVIVNTASLAAKVGAPLLAHYSASKFAVFGWTQALAREMAPKNIRVNCVCPGFVKTAMQEREIIWEAELRGMTPEAVRAEYVSLTPLGRIEEPEDVADVVVFLASDAARFMTGQGINVTGGVRMD
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) -186242 for 2234 contacts (-83.4/contact) +
2D Compatibility (PS) -27260 + (NN) -12527 + (LL) 100
1D Compatibility (HY) -13600 + (ID) 4600
Total energy: -244129.0 ( -109.28 by residue)
QMean score : 0.559
(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
: