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Table 1 Protein structure prediction results for the two GSTCD isoforms using three models I-TASSER, SWISS- MODEL and Phyre2. Methyltransferase (MTF) enzymes are frequently found in the top 3 structural templates listed for each server and the top 50 template results in SWISS-MODEL were entirely methyltransferase proteins, with specific focus on rRNA methyltransferase function. Alternatively, I-TASSER identified homology in this region with transport receptors, specifically importin β subunit 1, involved in transporting proteins into the nucleus [25]. Other top hits included: exodeoxyribonuclease (catalyses degradation of double stranded DNA), Ras guanyl-releasing protein 1 (nucleotide exchange factor specifically activating Ras, activates the extracellular signal-regulated kinases/mitogen-activated protein kinase (ERK/MAPK) cascade) and nicotinamide adenine dinucleotide binding (NADB)-Rossmann fold superfamily protein (structural motif found in proteins that bind nucleotides)

From: Defining a role for lung function associated gene GSTCD in cell homeostasis

Protein Structure Results

I-TASSER

SWISS-MODEL

Phyre2

Variant 1

Variant 2

Variant 1

Variant 2

Variant 1

Variant 2

Predicted Secondary Structure

Primarily α-helices with intermittent coil structures.

β-strands only present at termini.

N/A

Primarily intermittent α-helices (45%).

β-strands only present at termini (12%).

Two predicted transmembrane regions (30-40aa and 281-299aa).

Primarily intermittent α-helices (55%).

β-strands only present at termini (10%).

Two predicted transmembrane regions (29-38aa and 194-212aa).

Regions of Primary Sequence Homology

Primarily across the MTF domain to C-terminus.

Partial matches across whole protein.

Only across the MTF domain to C-terminus

Only across the MTF domain

Intrinsic disorder

N/A

Low disorder across C-terminus

High disorder across C-terminus

Two theoretical central regions of disorder (27%):• 204-270aa• 325-386aa

Two theoretical central regions of disorder (26%):• 118-184aa• 257-299aa

Top 3 Structural Templates

Putative MTF

Importin β subunit

Exodeoxyribonuclease

Ras guanyl-releasing protein 1

MTF

Protein RdmB MTF

Protein RdmB MTF

Protein RdmB MTF

Putative rRNA methylase

Putative rRNA methylase

rRNA small subunit MTF

rRNA small subunit MTF

Transferase

S-adenosyl-L-methionine-dependent MTF

Transferase

NADB-Rossmann fold superfamily protein

S-adenosyl-L-methionine-dependent MTF