Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGKFQVISHPLIQHKLSILRRTTTSTKDFRELVDEIAMLMGYEVSRDLPLEDVEIQTPVATTVQKQLAGKKLAIVPILRAGIGMVDGFLSLVPAAKVGHIGMYRDEETFQPVEYLVKLPEDIDQRQIFVVDPMLATGGSAILAVDSLKKRGAAS--IKFVCLVAAPEGVAALQEAHPDVDIYTAALDEKLNEHGYIVPGLGDAGDRLFGTK
1UPU Chain:D ((29-223))
---------------MTIIRDKETPKEEFVFYADRLIRLLIEEALNELPFQKKEVTTPLDVSYHGVSFYSKICGVSIVRAGESMESGLRAVCRGVRIGKILIQRDETTAEPKLIYEKLPADIRERWVMLLDPMCATAGSVCKAIEVLLRLGVKEERIIFVNILAAPQGIERVFKEYPKVRMVTAAVDICLNSRYYIVPGIGDFGDRYFGTM
General information:
TITO was launched using:
RESULT:
Template:
1UPU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -149020 for 1455 contacts (-102.4/contact) +
2D Compatibility (PS) -20244 + (NN) -1615 + (LL) 1232
1D Compatibility (HY) -15600 + (ID) 3550
Total energy: -188797.0 ( -129.76 by residue)
QMean score : 0.555
(partial model without unconserved sides chains):
PDB file :
Tito_1UPU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1UPU-query.scw
PDB file :
Tito_Scwrl_1UPU.pdb
: