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Table 1 Active and passive AIRs chosen for the docking experiments

From: MTMDAT-HADDOCK: High-throughput, protein complex structure modeling based on limited proteolysis and mass spectrometry

Active and passive AIRs

Docking Run

active AIRs

passive AIRs

Baseline (BL)

  

Rpn13

S55, L56, L73, I74,

auto

 

F76, P77, D78, D79,

 
 

K99, A100, G101

 

ubiquitin

K6, L8, I44, F45,

auto

 

A46, G47, K48, Q49,

 
 

H68, V70, R72

 

LP/MS filter (Ubiquitin CPORT)

  

Rpn13

D41, K42, D53, D54,

auto

 

E70, D79, E81, K99

 

ubiquitin

-

F4, K6-K11, P19, Q31,

  

E34-Q40, R42, I44-Q49, R54,

  

T55, S57-N60, Q62-T66, H68,

  

V70, L71-G76

LP/MS (Ubiquitin CPORT)

  

Rpn13

D53, D54, S55, D78,

auto

 

D79, F98, K99

 

ubiquitin

-

F4, K6-K11, P19, Q31,

  

E34-Q40, R42, I44-Q49, R54,

  

T55, S57-N60, Q62-T66, H68,

  

V70, L71-G76

chemical shift perturbations

  

Rpn13

S55, F76, D78, K99,

auto

 

G101, R104

 

ubiquitin

L8, F45, A46, G47,

auto

 

K48, Q49, H68, V70

 

CPORT

  

Rpn13

Y22-E25, R27, M31,

auto

 

T36-P40, Q50-L56, H58,

 
 

V69, D71-I74,

 
 

F76, P77, D79, V85, C88-S90,

 
 

V93, V95, K103, L105, F106,

 
 

W108, E126, C127, N129, N130

 

ubiquitin

F4, K6-K11, P19, Q31,

auto

 

E34-Q40, R42, I44-Q49, R54,

 
 

T55, S57-N60, Q62-T66, H68,

 
 

V70, L71-G76

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