Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIALINENSQASKNTIIYKELKAVSDEKGFEVFNYGMYGKEEESQLTYVQNGLLTAILLNSGAADFVITGCGTGIGAMLACNSFPGVVCGFAADPVDAYLFSQVNGGNALSLPFAKGFGWGAELNLRYLFERLFEDEKGGGYPKERAVPEQRNARILSEIKQITYRDLLSVLKEIDQDFLKETISGEHFQEYFFANCQNQNIADYLKSVLD
3S5P Chain:A ((39-154))
---------------------LQQRASAHGYEVMDLG---T--------PDFAKIGCEAVTSGRADCCILVCGTGIGISIAANKMKGIRCALCSTEYDAEMARKHNNANALAL---GGRTTGPEVAASILSRFLSTNFEGGRHAARIAK---------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3S5P.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -62985 for 811 contacts (-77.7/contact) +
2D Compatibility (PS) -12277 + (NN) -10618 + (LL) 7860
1D Compatibility (HY) -3200 + (ID) 1700
Total energy: -82920.0 ( -102.24 by residue)
QMean score : 0.399
(partial model without unconserved sides chains):
PDB file :
Tito_3S5P.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3S5P-query.scw
PDB file :
Tito_Scwrl_3S5P.pdb
: