Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSKVHVFDHPLIQHKLSYIRDVNTGTKEFRELVDEVGMLMAYEVTRDLELQDVDIETPVTKMTAKRLAGKKLAIVPILRAGLGMTDGILSLVPAARVGHIGLYRDPETLKAVEYFAKLPQDITERQIIVVDPMLATGASAIEAITSLKKRGAKNIR--FMCLIAAPEGVEKMHEAHPDVDIYIAALDEKLNDKAYITPGLGDAGDRLFGTK
1UPF Chain:A ((29-223))
---------------MTIIRDKETPKEEFVFYADRLIRLLIEEALNELPFQKKEVTTPLDVSYHGVSFYSKICGVSIVRAGESMESGLRAVCRGVRIGKILIQRDETTAEPKLIYEKLPADIRERWVMLLDPMCATAGSVCKAIEVLLRLGVKEERIIFVNILAAPQGIERVFKEYPKVRMVTAAVDICLNSRYYIVPGIGDFGDRYFGT-
General information:
TITO was launched using:
RESULT:
Template:
1UPF.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -136553 for 1443 contacts (-94.6/contact) +
2D Compatibility (PS) -20040 + (NN) -487 + (LL) 1304
1D Compatibility (HY) -14000 + (ID) 3550
Total energy: -173326.0 ( -120.12 by residue)
QMean score : 0.490
(partial model without unconserved sides chains):
PDB file :
Tito_1UPF.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1UPF-query.scw
PDB file :
Tito_Scwrl_1UPF.pdb
: