Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGGTFDPIHYGHLVAASEVADLFDLDEVVFVPSGQPWQKGRQVSAAEHRYLMTVIATASNPRFSVSRVDIDRGGPTYTKDTLADLHALHPDSELYFTTGADALASIMSWQGWEELFELARFVGVSRPGYELRNEHITSLLGQLAKDALTLVEIPALAISSTDCRQRAEQSRPLWYLMPDGVVQYVSKCRLYCGACDAGARSTTSLAAGNGL
1KAQ Chain:E ((12-192))
FGGTFDPPHNGHLLMANEVLYQAGLDEIWFMPNQI---------DSFHRVEMLKLAIQSNPSFKLELVEMEREGPSYTFDTVSLLKQRYPNDQLFFIIGADMIEYLPKWYKLDELLNLIQFIGVKRPGFHVETPY-----------PLLFADVPEFEVSSTMIRERFKSKKPTDYLIPDKVKKYVEENGLY--------------------
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) -119643 for 1307 contacts (-91.5/contact) +
2D Compatibility (PS) -18301 + (NN) -7628 + (LL) 1736
1D Compatibility (HY) -14400 + (ID) 3400
Total energy: -161636.0 ( -123.67 by residue)
QMean score : 0.435
(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
: