Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKSKRLEIVSTIVKKHKIYKKEQIISYIEEYFGVRYSATTIAKDLKELNIYRVPIDCETWIYKAINNQTEQEMREKFRHYCEHEVLSSIINGSYIIVKTSPGFAQGINYFIDQLNIEEILGTVSGNDTTLILTASNDMAEYVYAKLFK
1B4A Chain:A ((4-146))
---GQRHIKIREIIMSNDIETQDELVDRLREA-GFNVTQATVSRDIKEMQLVKVPMANGRYKYSLPSDQRFNPL-QKLKRALVDVFIKLDGTGNLLVLRTLPGNAHAIGVLLDNLDWDEIVGTICGDDTCLIICRTPKDAKKVSNQLL-
General information:
TITO was launched using:
RESULT:
Template:
1B4A.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -87214 for 978 contacts (-89.2/contact) +
2D Compatibility (PS) -15753 + (NN) -6007 + (LL) 632
1D Compatibility (HY) -10800 + (ID) 1700
Total energy: -120842.0 ( -123.56 by residue)
QMean score : 0.536
(partial model without unconserved sides chains):
PDB file :
Tito_1B4A.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1B4A-query.scw
PDB file :
Tito_Scwrl_1B4A.pdb
: