Table 1 Model input parameters used to establish a base scenario for enzymatic cellulose hydrolysis. Kinetic values were obtained from the reported activities of Trichoderma reesei cellulases.

Cellulose rod dimensions (glucose residues)

30 × 30 × 150

EG adsorption strength

9,999

EG, CBHI and CBHII adsorption probabilities (%)

90

CBHI adsorption strength

9,999

EG concentration (mM)

800^a

CBHII adsorption strength

9,999

CBHI concentration (mM)

2,000^a

K_i CBHI-cellobiose (mM)

1.6^d

CBHII concentration (mM)

600^a

K_i CBHII-cellobiose (mM)

1.6^d

BG concentration (mM)

20^a

K_i EG-cellobiose (mM)

11^d

EG walk period (ms)

1^b

K_m BG-cellobiose (mM)

0.5^e,f

CBHI walk period (ms)

1^b

k_cat BG-cellobiose (s^-1)^h

40^e

CBHII walk period (ms)

1^b

K_i BG-glucose (mM)

0.5^f

EG activity period^g/s.d. (ms)

100/1

Timesteps

150,000

CBHI activity period/s.d. (ms)

500/1^c,d

Iterations per sample

100

CBHII activity period/s.d. (ms)

500/1^c,d

Maximum model life (s)

150

CBHI processivity/s.d. (reactions)

100/20 ^c

Sample period (ms)

250

CBHII processivity/s.d. (reactions)

100/20 ^c

EG, CBHI, CBHII and BG lifetime (s)

0 (infinite)