Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIFTYNREHVGDTLMVIVKDSQGAKLDVDRRGQVARVYLQDSKETVAWNIFEVSSLIVIEGAGQITLSDQDIKILNAELLKEGFEDSLVNNIEPTFVVAQIKEMIDHPDSDHLHICQVEINDGKTVQIVCGAPNASVGLKTVAALPGAMMPN-GSLIFPGKLRGEDSFGMLCSARELALPNAPQVRGIIEL-SDQVIVGESFDANKHWKN
1PYS Chain:B ((39-151))
-----------------------------------------------------------------------------------------FPIPRGVVFARVLEAHPIPG-TRLKRLVLDA--GRTVEVVSGAENARKGIGVALALPGTELPGLGQKVGERVIQGVRSFGMALSPRELGVGEYGG--GLLEFPEDALPPGTPLSEAWPEEV
General information:
TITO was launched using:
RESULT:
Template:
1PYS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -79673 for 853 contacts (-93.4/contact) +
2D Compatibility (PS) -12319 + (NN) -7429 + (LL) 7368
1D Compatibility (HY) -5200 + (ID) 1700
Total energy: -98953.0 ( -116.01 by residue)
QMean score : 0.457
(partial model without unconserved sides chains):
PDB file :
Tito_1PYS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1PYS-query.scw
PDB file :
Tito_Scwrl_1PYS.pdb
: