Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKENKYDDKHFFEQYSQMPRSKEGLQAAGEWHEFKKLLPDFHQKVVLDLGCGFGWHCIYAAEQ-GAKKVVGVDLSARMLTEAKHKTT-----SPIVHYERRAMENIDIEPETYDIVLSSLALHYVASFNDICQKVNTNLITGGSFVFSVEHPIFTADGRQDWFTDEAGNKLHWPVDRYFNESIRTSHFLGEDVQKYHRTLTTYIQTLLKNGFQINSIIEPEPAPELKDLPEMQDEYRRPMMLIISATKN
3BUS Chain:A ((53-218))
---------------------------------MIALLDVRSGDRVLDVGCGIGKPAVRLATARDV-RVTGISISRPQVNQANARATAAGLANR-VTFSYADAMDLPFEDASFDAVWALESLHHMPDRGRALREMARVLRPGGTVAIADFVLLAPVEGA---------------KKEAVD------AFRAGGGVLSLGGIDEYESDVRQAELVVTSTVDISA---------------------------
General information:
TITO was launched using:
RESULT:
Template:
3BUS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -96192 for 1167 contacts (-82.4/contact) +
2D Compatibility (PS) -17084 + (NN) -3461 + (LL) 5384
1D Compatibility (HY) -4400 + (ID) 1400
Total energy: -117153.0 ( -100.39 by residue)
QMean score : 0.393
(partial model without unconserved sides chains):
PDB file :
Tito_3BUS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3BUS-query.scw
PDB file :
Tito_Scwrl_3BUS.pdb
: