Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTKRLPNLQVALDHSDLQGAIKAAVSVGHEVDVIEAGTVCLLQVGSELVEVLRSLFPDKIIVADTKCADAGGTVAKNNAVRGADWMTCICCATIPTMEAALKAIKEERGDRGEIQIELYGDWTYEQAQQWLDAGISQAIYHQSRDALLAGETWGEKDLNKVKKLIDMGFRVSVTGGLSTDTLQLFEGVDVFTFIAGRGITEADDPAAAARAFKDEIKRIWG
1SO4 Chain:B ((3-216))
----LPMLQVALDNQTMDSAYETTRLIAEEVDIIEVGTILCVGEGVRAVRDLKALYPHKIVLADAAIADAGKILSRMCFEANADWVTVICCADINTAKGALDVAKEFNGD---VQIELTGYWTWEQAQQWRDAGIGQVVYHRSRDAQAAGVAWGEADITAIKRLSDMGFKVTVTGGLALEDLPLFKGIPIHVFIAGRSIRDAASPVEAARQFKRSIAELWG
General information:
TITO was launched using:
RESULT:
Template:
1SO4.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -150122 for 1831 contacts (-82.0/contact) +
2D Compatibility (PS) -23292 + (NN) -10051 + (LL) 456
1D Compatibility (HY) -19200 + (ID) 5350
Total energy: -207559.0 ( -113.36 by residue)
QMean score : 0.609
(partial model without unconserved sides chains):
PDB file :
Tito_1SO4.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1SO4-query.scw
PDB file :
Tito_Scwrl_1SO4.pdb
: