Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNTMNSVLECKELALYGGSFDPLHKAHLAIIEQTLELLPFVQLIVLPAYQNPFKK-PCFLDAKTRFKELERALKGMPRVLLSDFEIKQERAVPTIESVLHFQKLYRPKTLYLVIGADCLRHLSSWTNAKELLKRVELVVFERIGYE-EIQFKGRYHPLKGIDAP---ISSSAIRASLGV
1KAQ Chain:A ((7-165))
----------KKIGIFGGTFDPPHNGHLLMANEVLYQAGLDEIWFMPNQIPPHKQNEDYTDSFHRVEMLKLAIQSNPSFKLELVEMEREGPSYTFDTVSLLKQRYPNDQLFFIIGADMIEYLPKWYKLDELLNLIQFIGVKRPGFHVETPY-----PLLFADVPEFEVSSTMIRERFKS
General information:
TITO was launched using:
RESULT:
Template:
1KAQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -119840 for 1183 contacts (-101.3/contact) +
2D Compatibility (PS) -16621 + (NN) -9249 + (LL) 936
1D Compatibility (HY) -10400 + (ID) 2250
Total energy: -157424.0 ( -133.07 by residue)
QMean score : 0.558
(partial model without unconserved sides chains):
PDB file :
Tito_1KAQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1KAQ-query.scw
PDB file :
Tito_Scwrl_1KAQ.pdb
: