Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGGTFDPIHYGHLVAASEVADLFDLDEVVFVPSGQPWQKGRQVSAAEHRYLMTVIATASNPRFSVSRVDIDRGGPTYTKDTLADLHALHPDSELYFTTGADALASIMSWQGWEELFELARFVGVSRPGYELRNEHITSLLGQLAKDALTLVEIPALAISSTDCRQRAEQSRPLWYLMPDGVVQYVSKCRLYCGACDAGARSTTSLAAGNGL
1KAQ Chain:F ((12-189))
FGGTFDPPHNGHLLMANEVLYQAGLDEIWFMPNQI---------DSFHRVEMLKLAIQSNPSFKLELVEMEREGPSYTFDTVSLLKQRYPNDQLFFIIGADMIEYLPKWYKLDELLNLIQFIGV------VETPY-----------PLLFADVPEFEVSSTMIRERFKSKKPTDYLIPDKVKKYVEEN-----------------------
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) -116422 for 1199 contacts (-97.1/contact) +
2D Compatibility (PS) -17251 + (NN) -5865 + (LL) 2060
1D Compatibility (HY) -13200 + (ID) 3150
Total energy: -153828.0 ( -128.30 by residue)
QMean score : 0.342
(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
: