Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGKFQVISHPLIQHKLSILRRTTTSTKDFRELVDEIAMLMGYEVSRDLPLEDVEIQTPVATTVQKQLAGKKLAIVPILRAGIGMVDGFLSLVPAAKVGHIGMYRDEETFQPVEYLVKLPEDIDQRQIFVVDPMLATGGSAILAVDSLKKRGAAS--IKFVCLVAAPEGVAALQEAHPDVDIYTAALDEKLNEHGYIVPGLGDAGDRLFGTK
1JLS Chain:A ((48-242))
---------------MTIIRDKETPKEEFVFYADRLIRLLIEEALNELPFQKKEVTTPLDVSYHGVSFYSKICGVSIVRAGESMESGLRAVCRGVRIGKILIQRD----EPKLIYEKLPADIRERWVMLLDPMCATAGSVCKAIEVLLRLGVKEERIIFVNILAAPQGIERVFKEYPKVRMVTAAVDICLNSRYYIVPGIGDFGDRYFGT-
General information:
TITO was launched using:
RESULT:
Template:
1JLS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -145377 for 1442 contacts (-100.8/contact) +
2D Compatibility (PS) -20139 + (NN) -2378 + (LL) 1688
1D Compatibility (HY) -16000 + (ID) 3450
Total energy: -185656.0 ( -128.75 by residue)
QMean score : 0.539
(partial model without unconserved sides chains):
PDB file :
Tito_1JLS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1JLS-query.scw
PDB file :
Tito_Scwrl_1JLS.pdb
: