Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKTPIISIIMGSKSDWGTMQKTAEVLDNFGIAYEKKVVSAHRAPDLMFKHAEEARGRGIKIIIAGAGGAAHLPGMVAAKTTLPVIGVPVKTRALSGLDSLYSIVQMPGGVPVATMAIGEAGATNAALTALRILSIEDQNLADALAHFHEEQGKIAEESSNELI
4AY4 Chain:C ((22-177))
-KS-LVGVIMGSTSDWETMKYACDILDELNIPYEKKVVSAHRTPDYMFEYAETARERGLKVIIAGAGGAAHLPGMVAAKTNLPVIGVPVQSKALNGLDSLLSIVQMPGGVPVATVAIGKAGSTNAGLLAAQILGSFHDDIHDALELRREAIEKDVREG-----
General information:
TITO was launched using:
RESULT:
Template:
4AY4.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -121648 for 1312 contacts (-92.7/contact) +
2D Compatibility (PS) -17019 + (NN) -8692 + (LL) 444
1D Compatibility (HY) -16400 + (ID) 4950
Total energy: -168265.0 ( -128.25 by residue)
QMean score : 0.560
(partial model without unconserved sides chains):
PDB file :
Tito_4AY4.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4AY4-query.scw
PDB file :
Tito_Scwrl_4AY4.pdb
: