Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MENRISGTTRLLGLIGTPIDHSKSPIMYNYSFQKAGLDYAYLAFDTPIQKVADTIKAIKTFNLRGANVTMPCKSEVLKHMDDLSPAARMIGAVNTIVNEDGKLTGHITDGLGFIANLRDASVDVAGKKMTIIGAGGAATAIQVQCALDGAKEITIFNIKDAFYDKAKQTVASIKQEVPNCIVHIYDLNDTEKLNAEITTSDILVNATLVGMHPNEHETPISDTSVFRKELIVADIIYNPKKTQLLLDAEAAGCKTVGGLGMLLWQGAEAYKLFTGKDMPVS----EVKDLYFN
2HK9 Chain:B ((8-273))
----INAQTQLYGVIGFPVKHSLSPVFQNALIRYAGLNAVYLAFEINPEELKKAFEGFKALKVKGINVTVPFKEEIIPLLDYVEDTAKEIGAVNTVKFENGKAYGYNTDWIGFLKSLKSLIPEVKEKSILVLGAGGASRAVIYALVKEGAK---VF-----LWNRTKEKAIKLAQKFPLEVV-----NSPEEV---IDKVQVIVNTTSVGLKDEDPE--IFNYDLIKKDHVVVDIIY--KETKLLKKAKEKGAKLLDGLPMLLWQGIEAFKIWNGCEVPYSVAERSVRDL---
General information:
TITO was launched using:
RESULT:
Template:
2HK9.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -159737 for 2233 contacts (-71.5/contact) +
2D Compatibility (PS) -28319 + (NN) -10441 + (LL) 1392
1D Compatibility (HY) -24400 + (ID) 5000
Total energy: -226505.0 ( -101.44 by residue)
QMean score : 0.686
(partial model without unconserved sides chains):
PDB file :
Tito_2HK9.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2HK9-query.scw
PDB file :
Tito_Scwrl_2HK9.pdb
: