Conformational ensembles of flexible multidomain proteins: How close are we to accurate and reliable predictions?

Rodriguez S, Fournet A, Bartels S, Pajkos M, Clerc I, Carrière L, Thureau A, Montanier C, Dumon C, Allemand F, Cortés J, Bernadó P
Biophysical Journal (2026 Aug)

doi: 10.1016/j.bpj.2026.08.018 		Submitted to SASBDB: 2026 Sep 8
Published in SASBDB:

SASD2F7 – Conformational ensembles of domain–linker–domain (DLD) protein chimera consisting of Glycosyl hydrolase and Carbohydrate binding module 1

Glycosyl hydrolase (GH) linked to a Carbohydrate-binding module (CBM) 1 experimental SAS data
Conformational ensembles of domain–linker–domain (DLD) protein chimera consisting of Glycosyl hydrolase and Carbohydrate binding module 1 Rg histogram
Sample: Glycosyl hydrolase (GH) linked to a Carbohydrate-binding module (CBM) 1 monomer, 36 kDa Chimera protein
Buffer: 50 mM Na-phosphate, 2 mM TCEP, pH: 6
Experiment: SAXS data collected at SWING, SOLEIL on 2024 Oct 17
RgGuinier 2.7 nm

SASD2G7 – Conformational ensembles of domain–linker–domain (DLD) protein chimera consisting of Glycosyl hydrolase and Carbohydrate binding module 2

Glycosyl hydrolase (GH) linked to a Carbohydrate-binding module (CBM) 2 experimental SAS data
Conformational ensembles of domain–linker–domain (DLD) protein chimera consisting of Glycosyl hydrolase and Carbohydrate binding module 2 Rg histogram
Sample: Glycosyl hydrolase (GH) linked to a Carbohydrate-binding module (CBM) 2 monomer, 36 kDa Chimera protein
Buffer: 50 mM Na-phosphate, 2 mM TCEP, pH: 6
Experiment: SAXS data collected at SWING, SOLEIL on 2024 Oct 17
RgGuinier 2.8 nm

SASD2H7 – Conformational ensembles of domain–linker–domain (DLD) protein chimera consisting of Glycosyl hydrolase and Carbohydrate binding module 3

Glycosyl hydrolase (GH) linked to a Carbohydrate-binding module (CBM) 3 experimental SAS data
Conformational ensembles of domain–linker–domain (DLD) protein chimera consisting of Glycosyl hydrolase and Carbohydrate binding module 3 Rg histogram
Sample: Glycosyl hydrolase (GH) linked to a Carbohydrate-binding module (CBM) 3 monomer, 36 kDa Chimera protein
Buffer: 50 mM Na-phosphate, 2 mM TCEP, pH: 6
Experiment: SAXS data collected at SWING, SOLEIL on 2025 Mar 13
RgGuinier 2.7 nm

SASD2J7 – Conformational ensembles of domain–linker–domain (DLD) protein chimera consisting of Glycosyl hydrolase and Carbohydrate binding module 4

Glycosyl hydrolase (GH) linked to a Carbohydrate-binding module (CBM) 4 experimental SAS data
Conformational ensembles of domain–linker–domain (DLD) protein chimera consisting of Glycosyl hydrolase and Carbohydrate binding module 4 Rg histogram
Sample: Glycosyl hydrolase (GH) linked to a Carbohydrate-binding module (CBM) 4 monomer, 36 kDa Chimera protein
Buffer: 50 mM Na-phosphate, 2 mM TCEP, pH: 6
Experiment: SAXS data collected at SWING, SOLEIL on 2024 Oct 17
RgGuinier 2.7 nm

SASD2K7 – Conformational ensembles of domain–linker–domain (DLD) protein chimera consisting of Glycosyl hydrolase and Carbohydrate binding module 5

Glycosyl hydrolase (GH) linked to a Carbohydrate-binding module (CBM) 5 experimental SAS data
Conformational ensembles of domain–linker–domain (DLD) protein chimera consisting of Glycosyl hydrolase and Carbohydrate binding module 5 Rg histogram
Sample: Glycosyl hydrolase (GH) linked to a Carbohydrate-binding module (CBM) 5 monomer, 36 kDa Chimera protein
Buffer: 50 mM Na-phosphate, 2 mM TCEP, pH: 6
Experiment: SAXS data collected at SWING, SOLEIL on 2025 May 29
RgGuinier 2.8 nm

SASD2M7 – Conformational ensembles of domain–linker–domain (DLD) protein chimera consisting of Glycosyl hydrolase and Carbohydrate binding module 6

Glycosyl hydrolase (GH) linked to a Carbohydrate-binding module (CBM) 6 experimental SAS data
Conformational ensembles of domain–linker–domain (DLD) protein chimera consisting of Glycosyl hydrolase and Carbohydrate binding module 6 Rg histogram
Sample: Glycosyl hydrolase (GH) linked to a Carbohydrate-binding module (CBM) 6 monomer, 36 kDa Chimera protein
Buffer: 50 mM Na-phosphate, 2 mM TCEP, pH: 6
Experiment: SAXS data collected at SWING, SOLEIL on 2024 Dec 6
RgGuinier 2.8 nm

SASD2T7 – Conformational ensembles of domain–linker–domain (DLD) protein chimera consisting of Glycosyl hydrolase and Carbohydrate binding module 7

Glycosyl hydrolase (GH) linked to a Carbohydrate-binding module (CBM) 7 experimental SAS data
Conformational ensembles of domain–linker–domain (DLD) protein chimera consisting of Glycosyl hydrolase and Carbohydrate binding module 7 Rg histogram
Sample: Glycosyl hydrolase (GH) linked to a Carbohydrate-binding module (CBM) 7 monomer, 37 kDa Chimera protein
Buffer: 50 mM Na-phosphate, 2 mM TCEP, pH: 6
Experiment: SAXS data collected at SWING, SOLEIL on 2025 Mar 13
RgGuinier 2.9 nm

SASD2U7 – Conformational ensembles of domain–linker–domain (DLD) protein chimera consisting of Glycosyl hydrolase and Carbohydrate binding module 8

Glycosyl hydrolase (GH) linked to a Carbohydrate-binding module (CBM) 8 experimental SAS data
Conformational ensembles of domain–linker–domain (DLD) protein chimera consisting of Glycosyl hydrolase and Carbohydrate binding module 8 Rg histogram
Sample: Glycosyl hydrolase (GH) linked to a Carbohydrate-binding module (CBM) 8 monomer, 36 kDa Chimera protein
Buffer: 50 mM Na-phosphate, 2 mM TCEP, pH: 6
Experiment: SAXS data collected at SWING, SOLEIL on 2025 Mar 13
RgGuinier 2.9 nm

SASD2V7 – Conformational ensembles of domain–linker–domain (DLD) protein chimera consisting of Glycosyl hydrolase and Carbohydrate binding module 9

Glycosyl hydrolase (GH) linked to a Carbohydrate-binding module (CBM) 9 experimental SAS data
Conformational ensembles of domain–linker–domain (DLD) protein chimera consisting of Glycosyl hydrolase and Carbohydrate binding module 9 Rg histogram
Sample: Glycosyl hydrolase (GH) linked to a Carbohydrate-binding module (CBM) 9 monomer, 37 kDa Chimera protein
Buffer: 50 mM Na-phosphate, 2 mM TCEP, pH: 6
Experiment: SAXS data collected at SWING, SOLEIL on 2025 Mar 13
RgGuinier 2.8 nm

SASD2W7 – Conformational ensembles of domain–linker–domain (DLD) protein chimera consisting of Glycosyl hydrolase and Carbohydrate binding module 10

Glycosyl hydrolase (GH) linked to a Carbohydrate-binding module (CBM) 10 experimental SAS data
Conformational ensembles of domain–linker–domain (DLD) protein chimera consisting of Glycosyl hydrolase and Carbohydrate binding module 10 Rg histogram
Sample: Glycosyl hydrolase (GH) linked to a Carbohydrate-binding module (CBM) 10 monomer, 37 kDa Chimera protein
Buffer: 50 mM Na-phosphate, 2 mM TCEP, pH: 6
Experiment: SAXS data collected at SWING, SOLEIL on 2024 Dec 6
RgGuinier 3.0 nm

SASD2X7 – Conformational ensembles of domain–linker–domain (DLD) protein chimera consisting of Glycosyl hydrolase and Carbohydrate binding module 11

Glycosyl hydrolase (GH) linked to a Carbohydrate-binding module (CBM) 11 experimental SAS data
Conformational ensembles of domain–linker–domain (DLD) protein chimera consisting of Glycosyl hydrolase and Carbohydrate binding module 11 Rg histogram
Sample: Glycosyl hydrolase (GH) linked to a Carbohydrate-binding module (CBM) 11 monomer, 38 kDa Chimera protein
Buffer: 50 mM Na-phosphate, 2 mM TCEP, pH: 6
Experiment: SAXS data collected at SWING, SOLEIL on 2025 Mar 13
RgGuinier 3.0 nm

SASD2Y7 – Conformational ensembles of domain–linker–domain (DLD) protein chimera consisting of Glycosyl hydrolase and Carbohydrate binding module 12

Glycosyl hydrolase (GH) linked to a Carbohydrate-binding module (CBM) 12 experimental SAS data
Conformational ensembles of domain–linker–domain (DLD) protein chimera consisting of Glycosyl hydrolase and Carbohydrate binding module 12 Rg histogram
Sample: Glycosyl hydrolase (GH) linked to a Carbohydrate-binding module (CBM) 12 monomer, 38 kDa Chimera protein
Buffer: 50 mM Na-phosphate, 2 mM TCEP, pH: 6
Experiment: SAXS data collected at SWING, SOLEIL on 2024 Oct 17
RgGuinier 3.0 nm

SASD2Z7 – Conformational ensembles of domain–linker–domain (DLD) protein chimera consisting of Glycosyl hydrolase and Carbohydrate binding module 13

Glycosyl hydrolase (GH) linked to a Carbohydrate-binding module (CBM) 13 experimental SAS data
Conformational ensembles of domain–linker–domain (DLD) protein chimera consisting of Glycosyl hydrolase and Carbohydrate binding module 13 Rg histogram
Sample: Glycosyl hydrolase (GH) linked to a Carbohydrate-binding module (CBM) 13 monomer, 38 kDa Chimera protein
Buffer: 50 mM Na-phosphate, 2 mM TCEP, pH: 6
Experiment: SAXS data collected at SWING, SOLEIL on 2025 May 29
RgGuinier 2.9 nm

SASD228 – Conformational ensembles of domain–linker–domain (DLD) protein chimera consisting of Glycosyl hydrolase and Carbohydrate binding module 14

Glycosyl hydrolase (GH) linked to a Carbohydrate-binding module (CBM) 14 experimental SAS data
Conformational ensembles of domain–linker–domain (DLD) protein chimera consisting of Glycosyl hydrolase and Carbohydrate binding module 14 Rg histogram
Sample: Glycosyl hydrolase (GH) linked to a Carbohydrate-binding module (CBM) 14 monomer, 38 kDa Chimera protein
Buffer: 50 mM Na-phosphate, 2 mM TCEP, pH: 6
Experiment: SAXS data collected at SWING, SOLEIL on 2024 Sep 21
RgGuinier 3.0 nm

SASD238 – Conformational ensembles of domain–linker–domain (DLD) protein chimera consisting of Glycosyl hydrolase and Carbohydrate binding module 15

Glycosyl hydrolase (GH) linked to a Carbohydrate-binding module (CBM) 15 experimental SAS data
Conformational ensembles of domain–linker–domain (DLD) protein chimera consisting of Glycosyl hydrolase and Carbohydrate binding module 15 Rg histogram
Sample: Glycosyl hydrolase (GH) linked to a Carbohydrate-binding module (CBM) 15 monomer, 38 kDa Chimera protein
Buffer: 50 mM Na-phosphate, 2 mM TCEP, pH: 6
Experiment: SAXS data collected at SWING, SOLEIL on 2024 Sep 21
RgGuinier 3.3 nm

SASD248 – Conformational ensembles of domain–linker–domain (DLD) protein chimera consisting of Glycosyl hydrolase and Carbohydrate binding module 16

Glycosyl hydrolase (GH) linked to a Carbohydrate-binding module (CBM) 16 experimental SAS data
Conformational ensembles of domain–linker–domain (DLD) protein chimera consisting of Glycosyl hydrolase and Carbohydrate binding module 16 Rg histogram
Sample: Glycosyl hydrolase (GH) linked to a Carbohydrate-binding module (CBM) 16 monomer, 39 kDa Chimera protein
Buffer: 50 mM Na-phosphate, 2 mM TCEP, pH: 6
Experiment: SAXS data collected at SWING, SOLEIL on 2024 Sep 21
RgGuinier 3.0 nm

SASD258 – Conformational ensembles of domain–linker–domain (DLD) protein chimera consisting of Glycosyl hydrolase and Carbohydrate binding module 17

Glycosyl hydrolase (GH) linked to a Carbohydrate-binding module (CBM) 17 experimental SAS data
Conformational ensembles of domain–linker–domain (DLD) protein chimera consisting of Glycosyl hydrolase and Carbohydrate binding module 17 Rg histogram
Sample: Glycosyl hydrolase (GH) linked to a Carbohydrate-binding module (CBM) 17 monomer, 38 kDa Chimera protein
Buffer: 50 mM Na-phosphate, 2 mM TCEP, pH: 6
Experiment: SAXS data collected at SWING, SOLEIL on 2024 Sep 21
RgGuinier 3.2 nm

SASD268 – Conformational ensembles of domain–linker–domain (DLD) protein chimera consisting of Glycosyl hydrolase and Carbohydrate binding module 18

Glycosyl hydrolase (GH) linked to a Carbohydrate-binding module (CBM) 18 experimental SAS data
Conformational ensembles of domain–linker–domain (DLD) protein chimera consisting of Glycosyl hydrolase and Carbohydrate binding module 18 Rg histogram
Sample: Glycosyl hydrolase (GH) linked to a Carbohydrate-binding module (CBM) 18 monomer, 45 kDa Chimera protein
Buffer: 50 mM Na-phosphate, 2 mM TCEP, pH: 6
Experiment: SAXS data collected at SWING, SOLEIL on 2024 Sep 21
RgGuinier 3.3 nm