Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSNPQYPTRLPCGSRVLDLARPHVMGILNVTPDSFSDGGRYDRLDDALRHAERMVLEGATLIDVGGESTRPGARSVSPTEELERVAPVVERIARELDVVISVDTSTPAVMRETARLGAGLINDVRSLQRDGALDAAVDSGLAVCLMHMRGEPQTMQDAPAYQDVVAEVGAFLQERVDACVAAGIDRERLLLDPGFGFAKTLEHNLVLFRHLQALHGLGLPLLVGVSRKSMIGKVLGREVDERLYGSLALAALALAKGARIIRVHDVAATVDVMRMISAVEMAD
3TYU Chain:B ((12-278))
---------------TLDLSRPQVMGILN------------NNLDQALQHAQRMLSAGATLIDIG---------------ELDRVVPVVEALAQRFDVWLSVDTSKAAVITESAHAGAHLINDIRSLQEPGALEAAAKTGLPVCLMHMQ-------------DLMTDINRFFQHHIERCVAAGIAKNKLLLDPGFGFGKNLAHNYQLLAHLSELHHFELPLLVGMSRKSMVGQLLNVPPQQRVIGSVACAVIAAMQGAQIIRVHDVKETVEAMCIVEATRSA-
General information:
TITO was launched using:
RESULT:
Template:
3TYU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -191708 for 1820 contacts (-105.3/contact) +
2D Compatibility (PS) -25122 + (NN) -14721 + (LL) 692
1D Compatibility (HY) -27600 + (ID) 6450
Total energy: -264909.0 ( -145.55 by residue)
QMean score : 0.639
(partial model without unconserved sides chains):
PDB file :
Tito_3TYU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TYU-query.scw
PDB file :
Tito_Scwrl_3TYU.pdb
: