Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDNEKGLLIVLSGPSGVGKGTVRKRIFEDPSTSYKYSISMTTRQMREGEVDGVDYFFKTRDAFEALIKDDQFIEYAEYVGNYYGTPVQYVKDTMDEGHDVFLEIEVEGAKQVRKKFPDALFIFLAPPSLDHLRERLVGRGTESNEKIQSRINEARKEVEMMNLYDYVVVNDEVELAKNRIQCIVEAEHLKRERVEAKYRKMILEAKK
3TR0 Chain:A ((6-204))
----KANLFIISAPSGAGKTSLVRALVK-ALAEIKISISHTTRPKRPGDQEGVDYFFIDETRFQAMVKEGAFLEHATIYERHYGTEKDWVLRQLKAGRDVLLEIDWQGARQIRELFPPALSIFILPPSIEALRERLIKRRQDDTAIIEQRLALAREEMAHYKEFDYLVVNDNFDQAVQNLIHIISAERLQRDVQEKKLSRLLAE---
General information:
TITO was launched using:
RESULT:
Template:
3TR0.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -65995 for 1486 contacts (-44.4/contact) +
2D Compatibility (PS) -22026 + (NN) -11831 + (LL) 352
1D Compatibility (HY) -16800 + (ID) 3900
Total energy: -120200.0 ( -80.89 by residue)
QMean score : 0.485
(partial model without unconserved sides chains):
PDB file :
Tito_3TR0.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TR0-query.scw
PDB file :
Tito_Scwrl_3TR0.pdb
: