Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIEKTIMERRSIKKANDEPISRETVNTILEQAAYAPFHSKVEPWN-VYVLHTLAEKERYIEKIIEFNEREQGVSFSEAEIADLKA-GYAKKIITPPYLLIVTTNIIGHGKKDFESIGATSAFIQNIQLLGWEAGIGMIW--RSNRFIFDAK---FADDLGIPAEQKIVGTLHLTSLAEVPEAKPRRPLNEWVKNLADL
3EK3 Chain:A ((9-172))
---ETIKARRSVRAYDRKQIPADDLNAILEAGAYAPSGMHYETWHFTAVCNTV--------KLEELNERIKG-AFAKSDDKHLRERGHSETYCC--YYHAPTLVIVSNEPKQWWAGMDCACAIENMFLAATSLGIASCWINQLGTTCDDPEVRAYLTSLGVPENHKVYGCVALGYKAE--------------------
General information:
TITO was launched using:
RESULT:
Template:
3EK3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -73743 for 1205 contacts (-61.2/contact) +
2D Compatibility (PS) -16311 + (NN) -3584 + (LL) 2580
1D Compatibility (HY) -7600 + (ID) 2300
Total energy: -100958.0 ( -83.78 by residue)
QMean score : 0.461
(partial model without unconserved sides chains):
PDB file :
Tito_3EK3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3EK3-query.scw
PDB file :
Tito_Scwrl_3EK3.pdb
: