Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSITLHSQKDFEFMRKAGRLAAETLDFIAPYVKVGVTTNKLNDLCHDFIVKAGAIPAPLNYKGYPKSICTSKNAVVCHGIPDDKPLKDGDILNIDVTVILNGWYGDTSRMFWAGKPSIKAKRLCDATYVALMEAIKQVKPGNKLNEIGLAVEKYIRDFGYSIVRSYCGHGIGKVFHAPPNVVHFYDQGESLVLKEGMFFTIEPMINAGKHETLLSRLDNWTVTTRDLSLSAQFEHTLGVTEDGVEIFTLSPKNWHFPPYN
3PKE Chain:A ((41-283))
----VQTPEVIEKMRVAGRIAAGALAEAGKAVAPGVTTDELDRIAHEYLVDNGAYPSTLGYKGFPKSCCTSLNEVICHGIPDSTVITDGDIVNIDVTAYIGGVHGDTNATFPAGDVADEHRLLVDRTREATMRAINTVKPGRALSVIGRVIESYANRFGYNVVRDFTGHGIGTTFHNGLVVLHYDQPAVETIMQPGMTFTIEPMINLGALDYEIWD-DGWTVVTKDRKWTAQFEHTLLVTDTGVEILTCL----------
General information:
TITO was launched using:
RESULT:
Template:
3PKE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -151173 for 2168 contacts (-69.7/contact) +
2D Compatibility (PS) -26847 + (NN) -13710 + (LL) 656
1D Compatibility (HY) -17600 + (ID) 5750
Total energy: -214424.0 ( -98.90 by residue)
QMean score : 0.495
(partial model without unconserved sides chains):
PDB file :
Tito_3PKE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PKE-query.scw
PDB file :
Tito_Scwrl_3PKE.pdb
: