Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKEIVIASNNQGKINDFKVIFPDY--HVIGISELIPDFDVEETGSTFEENAILKSEAAAKALNKTVIADDSGLEVFALNGEPGIYSARYAGENKSDEANIEKLLNKLGNTTD--RRAQFVCVISM--SGPDMETKVFKGTVSGEIADGKYGENGFGYDPIFYVPKLDKTMAQLSKEQKGQISHRRNAINLLQAFLEGEKNV
2PYU Chain:A ((21-210))
MQKVVLATGNVGKVRELASLLSDFGLDIVAQTDLGVD-SAEETGLTFIENAILKARHAAKVTALPAIADASGLAVDVLGGAPGIYSARYSGEDATDQKNLQKLLETMKDVPDDQRQARFHCVLVYLRHAEDPTPLVCHGSWPGVITREPAGTGGFGYDPIFFVPSEGKTAAELTREEKSAISHRGQALKLL----------
General information:
TITO was launched using:
RESULT:
Template:
2PYU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -45319 for 1464 contacts (-31.0/contact) +
2D Compatibility (PS) -20137 + (NN) -10332 + (LL) 916
1D Compatibility (HY) -13600 + (ID) 4150
Total energy: -92622.0 ( -63.27 by residue)
QMean score : 0.556
(partial model without unconserved sides chains):
PDB file :
Tito_2PYU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2PYU-query.scw
PDB file :
Tito_Scwrl_2PYU.pdb
: