Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAKPYGVVIISHSKDVAKGVHDIIKEIAPDVSITHAGGTEDGRIGTSFDAVNEAIEN-----N--EANKVYTFYDLGSAKMNIETVEEISEKEIILFNAPILEGAYATAAQVQMDEKPEVIAANLKTIEIK
3GDW Chain:A ((3-125))
--ANVGVFVLMHGDSTASSMLKTAQELLGTSIGTAMN----MPLTMEVQTMYEQLRNQVITQKESLNNGILLLTDMGSLNSFGNMLFEETGIRTKAITMTSTMIVLEAIRMASVGRSLEDIYQNIQLSF--
General information:
TITO was launched using:
RESULT:
Template:
3GDW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -45226 for 922 contacts (-49.1/contact) +
2D Compatibility (PS) -12691 + (NN) -6377 + (LL) 528
1D Compatibility (HY) -1600 + (ID) 800
Total energy: -66166.0 ( -71.76 by residue)
QMean score : 0.499
(partial model without unconserved sides chains):
PDB file :
Tito_3GDW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3GDW-query.scw
PDB file :
Tito_Scwrl_3GDW.pdb
: