Tiragolumab / 8jeo

A4DAB268_8jeo_E_F | Source PDB: 8jeo | Chains: E, F | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6405
Max Score
1.9188
Min Score
-3.724
Total Score
-280.55
Score CDR
-0.045
Score non-CDR
-0.7332

Calculation Parameters

Chain Sequence(s) EVQLQQSGPGLVKPSQTLSLTCAISGDSVSSNSAAWNWIRQSPSRGLEWLGKTYYRFKWYSDYAVSVKGRITINPDTSKNQFSLQLNSVTPEDTAVFYCTRESTTYDLLAGPFDYWGQGTLVTVSSASTKGPSVFPLAPSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIVMTQSPDSLAVSLGERATINCKSSQTVLYSSNNKKYLAWYQQKPGQPPNLLIYWASTRESGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQQYYSTPFTFGPGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG input.pdb
Selected Chain(s) E (Heavy), F (Light)
Distance of Aggregation 10 Å
FoldX Energy Minimization Yes
pH Calculations Yes
Downloads Download all data (.tar.gz)

Aggrescan4D Profile

Aggregation-prone (score > 0)
Soluble (score < 0)
Buried (score = 0)

Per-Residue A4D Scores

Download CSV
Minimum Score -3.724
Maximum Score 1.9188
Average Score -0.6405
Total Score -280.5519

Residues with A4D score > 0.0 are highlighted as aggregation-prone.

Index Residue Chain A4D Score Classification
1 E E -2.2937 Soluble
2 V E -1.5998 Soluble
3 Q E -2.0900 Soluble
4 L E 0.0000 Buried
5 Q E -1.8332 Soluble
6 Q E 0.0000 Buried
7 S E -0.8403 Soluble
8 G E -0.5305 Soluble
9 P E -0.5800 Soluble
11 G E -0.2396 Soluble
12 L E -0.2239 Soluble
13 V E 0.0000 Buried
14 K E -2.0520 Soluble
15 P E -1.6444 Soluble
16 S E -1.4525 Soluble
17 Q E -2.0093 Soluble
18 T E -1.3982 Soluble
19 L E 0.0000 Buried
20 S E -0.7907 Soluble
21 L E 0.0000 Buried
22 T E -0.7623 Soluble
23 C E 0.0000 Buried
24 A E -1.2490 Soluble
25 I E 0.0000 Buried
26 S E -1.5785 Soluble
27 G E -1.6516 Soluble
28 D E -1.2973 Soluble
29 S E -0.6900 Soluble
30 V E 0.0000 Buried
31 S E -0.2237 Soluble
34 S E -0.1712 Soluble
35 N E -0.0747 Soluble
36 S E 0.2160 Aggregation-prone
37 A E 0.0000 Buried
38 A E 0.0000 Buried
39 W E 0.0000 Buried
40 N E 0.0000 Buried
41 W E 0.0000 Buried
42 I E 0.0000 Buried
43 R E 0.0000 Buried
44 Q E -0.6101 Soluble
45 S E -1.0126 Soluble
46 P E -0.9294 Soluble
47 S E -1.4931 Soluble
48 R E -2.4129 Soluble
49 G E -1.3699 Soluble
50 L E 0.0000 Buried
51 E E -0.8177 Soluble
52 W E 0.0000 Buried
53 L E 0.0000 Buried
54 G E 0.0000 Buried
55 K E 0.0000 Buried
56 T E 0.0000 Buried
57 Y E 0.4288 Aggregation-prone
58 Y E 0.5865 Aggregation-prone
59 R E 0.0000 Buried
60 F E 1.3052 Aggregation-prone
62 K E -0.3222 Soluble
63 W E 0.3219 Aggregation-prone
64 Y E 0.5243 Aggregation-prone
65 S E -0.0115 Soluble
66 D E -0.4110 Soluble
67 Y E -0.1353 Soluble
68 A E 0.2660 Aggregation-prone
69 V E 0.9503 Aggregation-prone
70 S E 0.0684 Aggregation-prone
71 V E 0.0000 Buried
72 K E -1.4241 Soluble
74 G E -1.2618 Soluble
75 R E -1.2341 Soluble
76 I E 0.0000 Buried
77 T E -1.0455 Soluble
78 I E 0.0000 Buried
79 N E -1.4372 Soluble
80 P E -1.1753 Soluble
81 D E -1.5923 Soluble
82 T E -1.2646 Soluble
83 S E -1.3569 Soluble
84 K E -2.2033 Soluble
85 N E -1.6404 Soluble
86 Q E -1.5718 Soluble
87 F E 0.0000 Buried
88 S E -0.8572 Soluble
89 L E 0.0000 Buried
90 Q E -1.0449 Soluble
91 L E 0.0000 Buried
92 N E -1.3141 Soluble
93 S E -1.2245 Soluble
94 V E 0.0000 Buried
95 T E -1.3693 Soluble
96 P E -1.3986 Soluble
97 E E -2.1905 Soluble
98 D E 0.0000 Buried
99 T E -0.5247 Soluble
100 A E 0.0000 Buried
101 V E 0.3655 Aggregation-prone
102 F E 0.0000 Buried
103 Y E 0.0000 Buried
104 C E 0.0000 Buried
105 T E 0.0000 Buried
106 R E -0.2517 Soluble
107 E E 0.0000 Buried
108 S E 0.2454 Aggregation-prone
109 T E 0.0000 Buried
110 T E 0.7750 Aggregation-prone
111 Y E 1.4738 Aggregation-prone
111A D E 0.9817 Aggregation-prone
112B L E 1.4293 Aggregation-prone
112A L E 1.9188 Aggregation-prone
112 A E 1.1055 Aggregation-prone
113 G E 0.0000 Buried
114 P E 0.0000 Buried
115 F E 0.0000 Buried
116 D E -0.1659 Soluble
117 Y E 0.0108 Aggregation-prone
118 W E -0.5626 Soluble
119 G E 0.0000 Buried
120 Q E -1.6449 Soluble
121 G E -0.7884 Soluble
122 T E -0.0829 Soluble
123 L E 0.3263 Aggregation-prone
124 V E 0.0000 Buried
125 T E -0.3810 Soluble
126 V E 0.0000 Buried
127 S E -0.7259 Soluble
128 S E -0.7984 Soluble
129 A E -0.5271 Soluble
130 S E -0.6731 Soluble
131 T E -0.8888 Soluble
132 K E -1.5071 Soluble
133 G E -1.5227 Soluble
134 P E -0.6810 Soluble
135 S E -0.4144 Soluble
136 V E 0.0000 Buried
137 F E 0.0000 Buried
138 P E -1.0213 Soluble
139 L E 0.0000 Buried
140 A E -0.7936 Soluble
141 P E 0.0000 Buried
142 S E -0.4158 Soluble
143 G E -0.6447 Soluble
144 T E -0.4777 Soluble
145 A E -0.2494 Soluble
146 A E 0.0000 Buried
147 L E 0.0000 Buried
148 G E 0.0000 Buried
149 C E 0.0000 Buried
150 L E 0.0000 Buried
151 V E 0.0000 Buried
152 K E 0.0000 Buried
153 D E -0.5242 Soluble
154 Y E 0.0000 Buried
155 F E 0.0000 Buried
156 P E 0.0000 Buried
157 E E -0.4071 Soluble
158 P E -0.6075 Soluble
159 V E -0.5854 Soluble
160 T E -0.5166 Soluble
161 V E -0.1669 Soluble
162 S E -0.3804 Soluble
163 W E 0.0000 Buried
164 N E -0.7117 Soluble
165 S E -0.6646 Soluble
166 G E -0.5674 Soluble
167 A E -0.2319 Soluble
168 L E 0.0033 Aggregation-prone
169 T E -0.1975 Soluble
170 S E -0.2172 Soluble
171 G E -0.2712 Soluble
172 V E 0.0816 Aggregation-prone
173 H E -0.2987 Soluble
174 T E 0.0302 Aggregation-prone
175 F E 0.0000 Buried
176 P E -0.3422 Soluble
177 A E 0.2051 Aggregation-prone
178 V E 0.3719 Aggregation-prone
179 L E 1.1231 Aggregation-prone
180 Q E 0.1284 Aggregation-prone
181 S E -0.1028 Soluble
182 S E -0.2580 Soluble
183 G E -0.0105 Soluble
184 L E 0.0450 Aggregation-prone
185 Y E 0.3789 Aggregation-prone
186 S E 0.0000 Buried
187 L E 0.1355 Aggregation-prone
188 S E 0.0000 Buried
189 S E 0.0000 Buried
190 V E 0.0000 Buried
191 V E 0.0000 Buried
192 T E -0.1584 Soluble
193 V E 0.0000 Buried
194 P E -0.5132 Soluble
195 S E -0.5714 Soluble
196 S E -0.6439 Soluble
197 S E -0.6804 Soluble
198 L E -0.8937 Soluble
199 G E -1.0804 Soluble
200 T E -0.8324 Soluble
201 Q E -1.3985 Soluble
202 T E -1.1868 Soluble
203 Y E 0.0000 Buried
204 I E -1.1906 Soluble
205 C E 0.0000 Buried
206 N E -1.4369 Soluble
207 V E 0.0000 Buried
208 N E -1.8291 Soluble
209 H E 0.0000 Buried
210 K E -2.7564 Soluble
211 P E -1.6925 Soluble
212 S E -1.9353 Soluble
213 N E -2.6184 Soluble
214 T E -2.1026 Soluble
215 K E -2.6596 Soluble
216 V E -1.5791 Soluble
217 D E -2.4992 Soluble
218 K E -2.1056 Soluble
219 K E -2.4071 Soluble
220 V E 0.0000 Buried
221 E E -2.4806 Soluble
222 P E -1.1979 Soluble
1 D F -1.5567 Soluble
2 I F 0.0000 Buried
3 V F 0.7973 Aggregation-prone
4 M F 0.0000 Buried
5 T F -0.4029 Soluble
6 Q F 0.0000 Buried
7 S F -1.2798 Soluble
8 P F -1.3938 Soluble
9 D F -2.2702 Soluble
10 S F -1.4556 Soluble
11 L F -0.7433 Soluble
12 A F -0.6974 Soluble
13 V F -1.0529 Soluble
14 S F -1.0480 Soluble
15 L F -0.0996 Soluble
16 G F -1.0816 Soluble
17 E F -2.5328 Soluble
18 R F -2.7806 Soluble
19 A F 0.0000 Buried
20 T F -0.6459 Soluble
21 I F 0.0000 Buried
22 N F -1.4609 Soluble
23 C F 0.0000 Buried
24 K F -1.8795 Soluble
25 S F 0.0000 Buried
26 S F -0.8743 Soluble
27 Q F -1.4258 Soluble
28 T F -0.7764 Soluble
29 V F 0.0000 Buried
30 L F -0.1502 Soluble
31 Y F 0.0839 Aggregation-prone
32 S F -0.5555 Soluble
33 S F -0.6600 Soluble
34 N F -1.1528 Soluble
35 N F -1.5931 Soluble
36 K F -1.0972 Soluble
37 K F -0.6125 Soluble
38 Y F 0.0000 Buried
39 L F 0.0000 Buried
40 A F 0.0000 Buried
41 W F 0.0000 Buried
42 Y F 0.0000 Buried
43 Q F -0.6669 Soluble
44 Q F -1.0110 Soluble
45 K F -1.5981 Soluble
46 P F -1.3424 Soluble
47 G F -1.3453 Soluble
48 Q F -1.7688 Soluble
49 P F -1.0890 Soluble
50 P F 0.0000 Buried
51 N F -0.8555 Soluble
52 L F 0.0000 Buried
53 L F 0.0000 Buried
54 I F 0.0000 Buried
55 Y F -0.2006 Soluble
56 W F -0.3439 Soluble
57 A F 0.0000 Buried
65 S F -0.5610 Soluble
66 T F -0.6193 Soluble
67 R F -1.5317 Soluble
68 E F -1.1996 Soluble
69 S F -0.7927 Soluble
70 G F -0.9436 Soluble
71 V F -1.0483 Soluble
72 P F -1.3865 Soluble
74 D F -2.3038 Soluble
75 R F -1.6353 Soluble
76 F F 0.0000 Buried
77 S F -0.9872 Soluble
78 G F -0.5010 Soluble
79 S F -0.5908 Soluble
80 G F -0.9093 Soluble
83 S F -0.7623 Soluble
84 G F -0.9083 Soluble
85 T F -1.3425 Soluble
86 D F -1.9003 Soluble
87 F F 0.0000 Buried
88 T F -0.8680 Soluble
89 L F 0.0000 Buried
90 T F -0.7112 Soluble
91 I F 0.0000 Buried
92 S F -1.9122 Soluble
93 S F -1.5670 Soluble
94 L F 0.0000 Buried
95 Q F -1.4804 Soluble
96 A F 0.0000 Buried
97 E F -2.6161 Soluble
98 D F 0.0000 Buried
99 V F 0.0000 Buried
100 A F 0.0000 Buried
101 V F -0.7578 Soluble
102 Y F 0.0000 Buried
103 Y F 0.0000 Buried
104 C F 0.0000 Buried
105 Q F 0.0000 Buried
106 Q F 0.0000 Buried
107 Y F 0.0000 Buried
108 Y F 0.6635 Aggregation-prone
109 S F -0.2713 Soluble
114 T F -0.3974 Soluble
115 P F -0.2747 Soluble
116 F F 0.0000 Buried
117 T F 0.0071 Aggregation-prone
118 F F 0.0000 Buried
119 G F 0.0000 Buried
120 P F -0.7870 Soluble
121 G F -0.8407 Soluble
122 T F 0.0000 Buried
123 K F -1.5131 Soluble
124 V F 0.0000 Buried
125 E F -1.1914 Soluble
126 I F 0.0000 Buried
127 K F -1.2643 Soluble
128 R F -0.7211 Soluble
129 T F 0.2110 Aggregation-prone
130 V F 1.0281 Aggregation-prone
131 A F 0.5256 Aggregation-prone
132 A F 0.0492 Aggregation-prone
133 P F 0.0000 Buried
134 S F -0.1717 Soluble
135 V F 0.0000 Buried
136 F F -0.0657 Soluble
137 I F 0.0000 Buried
138 F F 0.0000 Buried
139 P F -0.6139 Soluble
140 P F -0.7431 Soluble
141 S F -1.4047 Soluble
142 D F -2.6435 Soluble
143 E F -2.3642 Soluble
144 Q F 0.0000 Buried
145 L F -1.8065 Soluble
146 K F -2.6050 Soluble
147 S F -1.6069 Soluble
148 G F -1.0909 Soluble
149 T F -0.8613 Soluble
150 A F 0.0000 Buried
151 S F 0.0000 Buried
152 V F 0.0000 Buried
153 V F 0.0000 Buried
154 C F 0.0000 Buried
155 L F 0.0000 Buried
156 L F 0.0000 Buried
157 N F 0.0000 Buried
158 N F -0.7579 Soluble
159 F F 0.0000 Buried
160 Y F -0.8169 Soluble
161 P F -1.5265 Soluble
162 R F -3.0218 Soluble
163 E F -3.2590 Soluble
164 A F -2.3354 Soluble
165 K F -2.3790 Soluble
166 V F -0.9989 Soluble
167 Q F -0.4479 Soluble
168 W F 0.0000 Buried
169 K F -0.3661 Soluble
170 V F 0.0000 Buried
171 D F -1.2968 Soluble
172 N F -1.0976 Soluble
173 A F -0.0870 Soluble
174 L F 0.8195 Aggregation-prone
175 Q F -0.2153 Soluble
176 S F -0.6485 Soluble
177 G F -1.3874 Soluble
178 N F -1.7578 Soluble
179 S F -1.8106 Soluble
180 Q F -2.1508 Soluble
181 E F -2.2360 Soluble
182 S F -0.9942 Soluble
183 V F -0.8644 Soluble
184 T F -1.1308 Soluble
185 E F -2.2036 Soluble
186 Q F 0.0000 Buried
187 D F -2.0294 Soluble
188 S F -2.4313 Soluble
189 K F -2.6618 Soluble
190 D F -1.8387 Soluble
191 S F 0.0000 Buried
192 T F 0.0000 Buried
193 Y F 0.0000 Buried
194 S F 0.0000 Buried
195 L F 0.0000 Buried
196 S F 0.0000 Buried
197 S F 0.0000 Buried
198 T F -0.9408 Soluble
199 L F 0.0000 Buried
200 T F -0.6856 Soluble
201 L F -0.7642 Soluble
202 S F -1.1969 Soluble
203 K F -2.0506 Soluble
204 A F -1.9777 Soluble
205 D F -2.6664 Soluble
206 Y F 0.0000 Buried
207 E F -3.7240 Soluble
208 K F -3.6029 Soluble
209 H F -2.9738 Soluble
210 K F -3.0024 Soluble
211 V F -1.3956 Soluble
212 Y F 0.0000 Buried
213 A F 0.0000 Buried
214 C F 0.0000 Buried
215 E F -0.6764 Soluble
216 V F 0.0000 Buried
217 T F -1.1361 Soluble
218 H F 0.0000 Buried
219 Q F -1.6311 Soluble
220 G F -0.2663 Soluble
221 L F -0.1535 Soluble
222 S F -0.4331 Soluble
223 S F -0.3886 Soluble
224 P F -0.4815 Soluble
225 V F 0.0441 Aggregation-prone
226 T F -0.4898 Soluble
227 K F -0.7946 Soluble
228 S F -0.6780 Soluble
229 F F -0.9753 Soluble
230 N F -2.0465 Soluble
231 R F -2.1596 Soluble
232 G F -1.3022 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
Downloads
Color Legend (B-factor = A4D Score)
Score > 1.5 — highly aggregation-prone
Score 0.5–1.5 — aggregation-prone
Score ≈ 0 — buried
Score −1 to −0.5 — soluble
Score < −2.5 — highly soluble
pH Structure
Load structure at specific pH condition
A4D Score Threshold
Highlight residues > threshold in the sequence panel
CDR Regions
HCDR1
HCDR2
HCDR3
LCDR1
LCDR2
LCDR3
Display Options

pH-Dependent Aggregation Profiles

A4D scores calculated across 11 pH conditions (4.0–9.0, step 0.5). Click a row to view the structure at that pH. The input structure is globular — max score is recommended for pH analysis.

pH Avg A4D Score Max A4D Score Downloads
4.0 -0.6269 2.7864 CSV PDB
4.5 -0.6693 2.789 CSV PDB
5.0 -0.7186 2.7971 CSV PDB
5.5 -0.7652 2.8206 CSV PDB
6.0 -0.7982 2.8813 CSV PDB
6.5 -0.8088 3.0043 CSV PDB
7.0 -0.7961 3.1889 CSV PDB
7.5 -0.7677 3.4096 CSV PDB
8.0 -0.7309 3.645 CSV PDB
8.5 -0.6881 3.8851 CSV PDB
9.0 -0.639 4.1252 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH