Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKTPIISIIMGSKSDWGTMQKTAEVLDNFGIAYEKKVVSAHRAPDLMFKHAEEARGRGIKIIIAGAGGAAHLPGMVAAKTTLPVIGVPVKTRALSGLDSLYSIVQMPGGVPVATMAIGEAGATNAALTALRILSIEDQNLADALAHFHEEQGKIAEESSNELI
4AY3 Chain:A ((22-181))
-KS-LVGVIMGSTSDWETMKYACDILDELNIPYEKKVVSAHRTPDYMFEYAETARERGLKVIIAGAGGAAHLPGMVAAKTNLPVIGVPVQSKALNGLDSLLSIVQMPGGVPVATVAIGKAGSTNAGLLAAQILGSFHDDIHDALELRREAIEKDVREGS-ELV
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) -123385 for 1320 contacts (-93.5/contact) +
2D Compatibility (PS) -17415 + (NN) -8218 + (LL) -12
1D Compatibility (HY) -17200 + (ID) 5100
Total energy: -171330.0 ( -129.80 by residue)
QMean score : 0.591
(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
: