Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDIAGRSLVYFSSVSENTHRFVQKLGIPATR---------IPLHGRIE-------VDEPYVLILPTYGGGRANPGLDAGGYVPKQVIAFLNNDHNRAQLRGVIAAGNTNFGAEFCYAGDVVSRKCSVPYLYRFELMGTEDDVAAVRTGLAEFWKEQTCHQPSLQSL
4N82 Chain:B ((22-174))
----TKVSLVYISLSGNTESFVRRLTDYLLEQHPSLEVEKIHIKDLVKERQPFFEMDNPFIAFLPTYLEGGNGVDNGDVEILTTDVGDFIAYGQNASKCLGVIGSGNRNFNNQYCLTAKQYSERFGFPVLADFEMRGMLGDIKKVAGIIEELYHIEK---------
General information:
TITO was launched using:
RESULT:
Template:
4N82.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -87813 for 1039 contacts (-84.5/contact) +
2D Compatibility (PS) -14748 + (NN) -5576 + (LL) 976
1D Compatibility (HY) -12800 + (ID) 1750
Total energy: -121711.0 ( -117.14 by residue)
QMean score : 0.540
(partial model without unconserved sides chains):
PDB file :
Tito_4N82.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4N82-query.scw
PDB file :
Tito_Scwrl_4N82.pdb
: