Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGKFQVISHPLIQHKLSILRRTTTSTKDFRELVDEIAMLMGYEVSRDLPLEDVEIQTPVATTVQKQLAGKKLAIVPILRAGIGMVDGFLSLVPAAKVGHIGMYRDEETFQPVEYLVKLPEDIDQRQIFVVDPMLATGGSAILAVDSLKKRGAAS--IKFVCLVAAPEGVAALQEAHPDVDIYTAALDEKLNEHGYIVPGLGDAGDRLFGTK
1BD4 Chain:D ((48-242))
---------------MTIIRDKETPKEEFVFYADRLIRLLIEEALNELPFQKKEVTTPLDVSYHGVSFYSKICGVSIVRAGESMESGLRAVCRGVRIGKILIQRDETTAEPKLIYEKLPADIRERWVMLLDPMCATAGSVCKAIEVLLRLGVKEERIIFVNILAAPQGIERVFKEYPKVRMVTAAVDICLNSRYYIVPGIGDFGDRYFGTM
General information:
TITO was launched using:
RESULT:
Template:
1BD4.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -144938 for 1468 contacts (-98.7/contact) +
2D Compatibility (PS) -20322 + (NN) -2185 + (LL) 1232
1D Compatibility (HY) -15600 + (ID) 3550
Total energy: -185363.0 ( -126.27 by residue)
QMean score : 0.551
(partial model without unconserved sides chains):
PDB file :
Tito_1BD4.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1BD4-query.scw
PDB file :
Tito_Scwrl_1BD4.pdb
: