Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRAVVELLAGARRLVIFTGAGVSAESGIPTFRDALGGLWARYDPAALATPAAFADDPALVWGWYEWRRLKV--LGVQPNPAHRAIAALSGR-IANTRLVTQNVDDLHERAGSRDVLHLHGSLHAPRCATCAAAYRDALPDSVEPEEGRRIEPPRCPACGGQVRPGVVWFGEALPEAALREAFAAACECDLLLSVGTSGVVQPAARIPGLALEHGASVVHVNPQPVRTRHPREHCLVGPAGEVLPELLRRAFPG
1S5P Chain:A ((1-232))
----------KPRVLVLTGAGISAESGIRTFRAA-DGLWEEHRVEDVATPEGFDRDPELVQAFYNARRRQLQQPEIQPNAAHLALAKLQDALGDRFLLVTQNIDNLHERAGNTNVIHMHGELLKVRCSQSGQVLDWTGD---------VTPEDKC-----PLRPHVVWFGEMPLG--MDEIYMALSMADIFIAIGTSGHVYPAAGFVHEAKLHGAHTVELNLEPSQ---EFAEKYYGPASQVVPEFVEKLLKG
General information:
TITO was launched using:
RESULT:
Template:
1S5P.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -113708 for 1798 contacts (-63.2/contact) +
2D Compatibility (PS) -23584 + (NN) -12952 + (LL) 1828
1D Compatibility (HY) -13600 + (ID) 4450
Total energy: -166466.0 ( -92.58 by residue)
QMean score : 0.457
(partial model without unconserved sides chains):
PDB file :
Tito_1S5P.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1S5P-query.scw
PDB file :
Tito_Scwrl_1S5P.pdb
: