Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSITLHSQKDFEFMRKAGRLAAETLDFIAPYVKVGVTTNKLNDLCHDFIVKAGAIPAPLNYKGYPKSICTSKNAVVCHGIPDDKPLKDGDILNIDVTVILNGWYGDTSRMFWAGKPSIKAKRLCDATYVALMEAIKQVKPGNKLNEIGLAVEKYIRDFGYSIVRSYCGHGIGKVFHAPPNVVHFYDQGESLVLKEGMFFTIEPMINAGKHETLLSRLDNWTVTTRDLSLSAQFEHTLGVTEDGVEIFTLSPKNWHFPPYN
3IU9 Chain:A ((44-286))
----VQTPEVIEKMRVAGRIAAGALAEAGKAVAPGVTTDELDRIAHEYLVDNGAYPSTLGYKGFPKSCCTSLNEVICHGIPDSTVITDGDIVNIDVTAYIGGVHGDTNATFPAGDVADEHRLLVDRTREATMRAINTVKPGRALSVIGRVIESYANRFGYNVVRDFTGHGIGTTFHNGLVVLHYDQPAVETIMQPGMTFTIEPMINLGALDYEIWD-DGWTVVTKDRKWTAQFEHTLLVTDTGVEILTCL----------
General information:
TITO was launched using:
RESULT:
Template:
3IU9.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -156259 for 2148 contacts (-72.7/contact) +
2D Compatibility (PS) -26727 + (NN) -11049 + (LL) 656
1D Compatibility (HY) -17600 + (ID) 5750
Total energy: -216729.0 ( -100.90 by residue)
QMean score : 0.487
(partial model without unconserved sides chains):
PDB file :
Tito_3IU9.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IU9-query.scw
PDB file :
Tito_Scwrl_3IU9.pdb
: