Dataset used in the study:

Serial No. Protein/Peptide name* Length Experimental conditions Experimental rate
ln(kapp)#
T (℃) pH Protein conc.
(μM)		 Ionic conc.
(mM)
1 Tau-related Peptide 6 21 7.2 100 0 3.15
2 Amyloid β peptide (28-35) 8 21 7.4 50 0 0.19
3 Myoc-OLF (99-110) 12 36 3.4 30 0 -0.25
4 AChE(586-599) 14 37 7 100 0 0.93
5 Amyloid β peptide (25-40) 16 37 7.4 50 0 -2.85
6 Galectin-7 (120-136) 17 37 2 500 100 0.22
7 Galectin-7 (58-77) 20 37 2 500 100 0.38
8 TGFBI 22 37 7 400 100 1.06
9 Galectin-7 (5-28) 24 37 2 500 100 0.19
10 Merozoite surface protein 2 25 23 7.4 300 137 -1.31
11 α-ANP 28 25 7.4 300 0 -3.15
12 Galectin-7 (84-113) 30 37 2 500 100 0.24
13 β-endorphin 31 37 7 586 0 1.71
14 Galectin-7 (33-63) 31 37 2 200 100 -0.44
15 Galectin-7 (35-65) 31 37 2 200 100 -3.54
16 Galectin-7 (33-64) 32 37 2 200 100 -0.86
17 Galectin-7 (34-65) 32 37 2 200 100 -3
18 Galectin-7 (33-65) 33 37 2 200 100 -1.61
19 Galectin-7 (31-65) 35 37 2 200 100 -1.71
20 Galectin-7 (32-66) 35 37 2 200 100 -1.56
21 Galectin-7 (33-67) 35 37 2 200 100 -1.81
22 Amylin 37 22 7.4 500 0 0.82
23 Amyloid β peptide (1-37) 37 25 7.5 1 0 -1.21
24 Galectin-7 (31-67) 37 37 2 500 100 0.2
25 Amyloid β peptide (1-38) 38 25 7.5 1 0 -0.11
26 Amyloid β peptide- Aβ40 40 37 7.4 10 0 -2.15
27 Amyloid β peptide- Aβ42 42 37 7.4 25 100 -0.59
28 Amyloid β peptide- Aβ42 (L17I/F19I/F20L/I31M/I32M/L34V/M35V/V36M/V39L/V40M/I41V) 42 37 7.35 20 100 -0.03
29 Amyloid β peptide- Aβ42 (L17F/V18I/F19M/F20V/I31F/I32M/L34V/M35F/V36I/V39L/V40F/I41M) 42 37 7.35 20 100 0.33
30 Amyloid β peptide- Aβ42 (V18L/I31F/I32V/L34I/M35L/V36F/V39I/V40L/I41V) 42 37 7.35 20 100 0.15
31 Amyloid β peptide- Aβ42 [+C:T] 43 25 7.5 1 0 -0.51
32 ApoA- I (N-terminal fragment) 43 37 7.4 21 150 -1.96
33 Amyloid β peptide- Aβ42 [+N:ISEVK] 47 37 8 10 0 1.43
34 Aortic medial amyloid 50 30 7.4 20 150 0.25
35 Insulin 51 37 7.4 357 100 -1.61
36 Monellin (chain B) 51 25 3 100 200 0.46
37 Amyloid β peptide- Aβ42 [+N:IKTEEISEVK] 52 37 8 10 0 1.73
38 Amyloid β peptide- Aβ42 [+N:SGLTNIKTEEISEVK] 57 37 8 10 0 1.22
39 α-spectrin SH3 domain 62 37 3.2 1202 100 -1.92
40 Amyloid β peptide- Aβ42 [+N:TTRPGSGLTNIKTEEISEVK] 62 37 8 10 0 1.43
41 Gelsolin 71 37 4 25 150 2.07
42 Amyloid β peptide- Aβ42 [+N:DARPAADRGLTTRPGSGLTNIKTEEISEVK] 72 37 8 10 0 0.77
43 Apolipoprotein C-II 79 22 7.4 35 0 -3.03
44 Amyloid β peptide- Aβ42 [+N:ANTSNEVQPVDARPAADRGLTTRPGSGLTNIKTEEISEVK] 82 37 8 10 0 0.11
45 ApoA-I (N-terminal fragment) 83 37 7.4 33 150 -2.24
46 Barstar 89 60 2.7 20 0 -0.16
47 HypF (N-terminal domain) 90 37 3 3 0 -2.78
48 Ure2 93 8 7.5 30 0 -2.21
49 Acylphosphatase 98 25 5.5 37 0 -1.09
50 Stefin B 98 23 4.8 34 150 -3.27
51 β-2 microglobulin (β2m) 99 37 2.5 37 0 2.02
52 AL-09 107 37 7.4 20 150 -2.73
53 AL-09 107 37 7.4 20 150 -3.69
54 AL-12 107 37 7.4 20 150 -4.14
55 κ O18/O8 107 37 7.4 20 150 -3.59
56 AL-103 108 37 7.4 20 150 -3.86
57 Transthyretin 127 37 4.4 8 100 -0.65
58 Lysozyme (chicken) 129 65 2 100 0 -2.7
59 Lysozyme 129 60 5 7 0 0.13
60 Tau k18 129 37 7.4 15 0 -0.47
61 Galectin-7 136 37 4 50 100 0.61
62 α-Synuclein 140 37 7.5 1 150 -1.88
63 PrP (prion protein) 142 37 7.4 6 150 -0.99
64 Transthyretin (+C:DYKDDDDKDYKDDDDK) 143 37 4.4 8 100 -0.65
65 SOD-1 153 37 7.4 100 0 -2.62
66 TGFBI% 158 37 7 23 20 -3.18
67 κ-Casein 169 37 7 215 0 0.7
68 γ D-crystallin 173 23 7 5 100 -0.6
69 AGP (bovine) 184 48 5.5 5 0 -1.11
70 AGP 192 45 5.5 47 0 -1.47
71 PrP (prion protein) 209 60 2 25 150 1.19
72 α-Synuclein (1-104+29-140) 216 37 6 70 0 -3.44
73 P53 219 37 7.2 5 150 1.32
74 P53 (M133L/V203A/N239Y/N268D/Y220C) 219 37 7.2 0 150 -1.41
75 P53 (+N:PSWPL) 224 37 7.2 1 150 -0.09
76 Concanavalin A 237 37 8.9 3 0 1.54
77 SUP 35NM 253 27 7.4 10 100 -0.7
78 Myoc-OLF 260 36 3.4 30 0 1.29
79 α-Synuclein (1-140+C:GC+1-140) 283 37 6 70 0 -3.34
80 Actin 375 37 2 50 100 0.27
81 P53 393 37 7.2 1 150 -0.83
82 Tau 40 441 37 7.4 50 0 -4.03

Blind test dataset:
1 ApoA-1 (46-59) 14 25 4 7 0.11 1.65
2 Calcitonin (Human) 32 25 7.4 64 0 -1.88
3 Calcitonin (Oncorhynchus keta) 32 25 7.4 64 0 -1.7
4 Immunoglobin light chain (AL-T05) 110 37 2 50 150 -0.07
5 Albebetin (synthetic protein) 73 45 7.4 1489 200 -0.05

Nanobody test dataset:
1 NbD9 118 64.4 7.4 32.7 0 7.25
2 NbD7 128 60.6 7.4 32.7 0 7.39
3 NbD3 122 67.2 7.4 32.7 0 7.89
4 NbD2 118 62.9 7.4 32.7 0 7.14
5 NbD1 118 65.4 7.4 32.7 0 5.06
6 NbD4 119 59 7.4 32.7 0 6.76
7 NbD5 121 55.1 7.4 32.7 0 5.64
8 NbD12 120 65.1 7.4 32.7 0 8.82

Note:

  1. Protein/peptides with insertion or addition are denoted by “+” sign.
    [Addition of short segment is denoted by + sign with “N” or “C” terminal position followed by “:” sign and added peptide sequence. The addition of large segment of the same peptide is denoted by addition of the positions (entries: 72, 79)]
  2. The rate of aggregation was estimated by fitting the time dependent fluorescent intensity data collected from ThT experiments from "aggregation kinetics dataset" of CPAD 2.0 database.
    [The kapp values are measured in hour-1.]
  3. TGFBI: Transforming growth factor beta-induced protein
  4. Blind test dataset was collected from the literature which was not used in the model development.
  5. For nanobody dataset:
    1. Experimental aggregation rates are measured using centrifugation assays and not from ThT assay.
    2. Natural logarithmic values of experimental aggregation rates in Hour-1 unit calculated from the original values in the literature.
    3. Assays are performed at Tm (melting temperature).