Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKTPIISIIMGSKSDWGTMQKTAEVLDNFGIAYEKKVVSAHRAPDLMFKHAEEARGRGIKIIIAGAGGAAHLPGMVAAKTTLPVIGVPVKTRALSGLDSLYSIVQMPGGVPVATMAIGEAGATNAALTALRILSIEDQNLADALAHFHEEQGKIAEESSNELI
4AY3 Chain:D ((22-177))
-KS-LVGVIMGSTSDWETMKYACDILDELNIPYEKKVVSAHRTPDYMFEYAETARERGLKVIIAGAGGAAHLPGMVAAKTNLPVIGVPVQSKALNGLDSLLSIVQMPGGVPVATVAIGKAGSTNAGLLAAQILGSFHDDIHDALELRREAIEKDVREG-----
General information:
TITO was launched using:
RESULT:
Template:
4AY3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -120136 for 1312 contacts (-91.6/contact) +
2D Compatibility (PS) -17034 + (NN) -8848 + (LL) 444
1D Compatibility (HY) -16400 + (ID) 4950
Total energy: -166924.0 ( -127.23 by residue)
QMean score : 0.581
(partial model without unconserved sides chains):
PDB file :
Tito_4AY3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4AY3-query.scw
PDB file :
Tito_Scwrl_4AY3.pdb
: