Tiragolumab / 8jeq

A4DAB268_8jeq_A_B | Source PDB: 8jeq | Chains: A, B | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6688
Max Score
1.5901
Min Score
-3.7067
Total Score
-302.95
Score CDR
-0.2022
Score non-CDR
-0.7386

Calculation Parameters

Chain Sequence(s) VQLQQSGPGLVKPSQTLSLTCAISGDSVSSNSAAWNWIRQSPSRGLEWLGKTYYRFKWYSDYAVSVKGRITINPDTSKNQFSLQLNSVTPEDTAVFYCTRESTTYDLLAGPFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCHHHHHHIVMTQSPDSLAVSLGERATINCKSSQTVLYSSNNKKYLAWYQQKPGQPPNLLIYWASTRESGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQQYYSTPFTFGPGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input.pdb
Selected Chain(s) A (Heavy), B (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 -3.7067
Maximum Score 1.5901
Average Score -0.6688
Total Score -302.9525

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

Index Residue Chain A4D Score Classification
2 V A 0.3291 Aggregation-prone
3 Q A -1.0753 Soluble
4 L A 0.0000 Buried
5 Q A -1.5877 Soluble
6 Q A 0.0000 Buried
7 S A -0.6830 Soluble
8 G A -1.0162 Soluble
9 P A -0.5049 Soluble
11 G A -0.4634 Soluble
12 L A -0.1099 Soluble
13 V A -0.8947 Soluble
14 K A -2.0617 Soluble
15 P A -1.7021 Soluble
16 S A -1.4727 Soluble
17 Q A -1.9581 Soluble
18 T A -1.5844 Soluble
19 L A 0.0000 Buried
20 S A -0.7800 Soluble
21 L A 0.0000 Buried
22 T A -0.7197 Soluble
23 C A 0.0000 Buried
24 A A -1.1687 Soluble
25 I A 0.0000 Buried
26 S A -0.8658 Soluble
27 G A -0.5747 Soluble
28 D A -0.7204 Soluble
29 S A -0.8266 Soluble
30 V A 0.0000 Buried
31 S A -0.5432 Soluble
34 S A -0.8231 Soluble
35 N A -0.9928 Soluble
36 S A -0.3542 Soluble
37 A A 0.0000 Buried
38 A A 0.0000 Buried
39 W A 0.0000 Buried
40 N A 0.0000 Buried
41 W A 0.0000 Buried
42 I A 0.0000 Buried
43 R A 0.0000 Buried
44 Q A -0.4981 Soluble
45 S A -0.8577 Soluble
46 P A -0.7497 Soluble
47 S A -1.0722 Soluble
48 R A -1.6648 Soluble
49 G A -1.0884 Soluble
50 L A 0.0000 Buried
51 E A -0.6991 Soluble
52 W A 0.0000 Buried
53 L A 0.0000 Buried
54 G A 0.0000 Buried
55 K A 0.0000 Buried
56 T A 0.0000 Buried
57 Y A -0.0145 Soluble
58 Y A 0.0717 Aggregation-prone
59 R A -0.3355 Soluble
60 F A 0.8177 Aggregation-prone
62 K A -0.5325 Soluble
63 W A 0.0607 Aggregation-prone
64 Y A 0.1464 Aggregation-prone
65 S A -0.3448 Soluble
66 D A -0.8646 Soluble
67 Y A -0.4823 Soluble
68 A A 0.0000 Buried
69 V A 0.8318 Aggregation-prone
70 S A 0.0278 Aggregation-prone
71 V A 0.0000 Buried
72 K A -1.5366 Soluble
74 G A -1.4175 Soluble
75 R A -1.5729 Soluble
76 I A 0.0000 Buried
77 T A -1.2912 Soluble
78 I A 0.0000 Buried
79 N A -1.5455 Soluble
80 P A -1.2965 Soluble
81 D A -1.8613 Soluble
82 T A -1.4020 Soluble
83 S A -1.4396 Soluble
84 K A -2.2790 Soluble
85 N A -1.6916 Soluble
86 Q A -1.6537 Soluble
87 F A 0.0000 Buried
88 S A -0.9364 Soluble
89 L A 0.0000 Buried
90 Q A -1.4393 Soluble
91 L A 0.0000 Buried
92 N A -1.9028 Soluble
93 S A -1.5381 Soluble
94 V A 0.0000 Buried
95 T A -1.3957 Soluble
96 P A -1.3949 Soluble
97 E A -1.9374 Soluble
98 D A 0.0000 Buried
99 T A -0.5230 Soluble
100 A A 0.0000 Buried
101 V A 0.2816 Aggregation-prone
102 F A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 T A 0.0000 Buried
106 R A -0.1177 Soluble
107 E A 0.0000 Buried
108 S A -0.0543 Soluble
109 T A 0.0000 Buried
110 T A 0.2845 Aggregation-prone
111 Y A 0.6328 Aggregation-prone
111A D A -0.7036 Soluble
112B L A 0.5039 Aggregation-prone
112A L A 1.5200 Aggregation-prone
112 A A 0.0000 Buried
113 G A 0.0000 Buried
114 P A 0.0000 Buried
115 F A 0.0000 Buried
116 D A -0.0342 Soluble
117 Y A 0.2644 Aggregation-prone
118 W A -0.3975 Soluble
119 G A 0.0000 Buried
120 Q A -1.6363 Soluble
121 G A -0.8772 Soluble
122 T A 0.0000 Buried
123 L A 0.2419 Aggregation-prone
124 V A 0.0000 Buried
125 T A -0.3809 Soluble
126 V A 0.0000 Buried
127 S A -0.9223 Soluble
128 S A -0.8304 Soluble
129 A A -0.5498 Soluble
130 S A -0.6850 Soluble
131 T A -1.0437 Soluble
132 K A -1.5762 Soluble
133 G A -1.4608 Soluble
134 P A 0.0000 Buried
135 S A -0.3562 Soluble
136 V A 0.0000 Buried
137 F A 0.0000 Buried
138 P A 0.0000 Buried
139 L A 0.0000 Buried
140 A A -1.3149 Soluble
141 P A 0.0000 Buried
142 S A -1.1039 Soluble
143 S A -0.5763 Soluble
144 K A -0.9353 Soluble
145 S A 0.0000 Buried
146 T A -0.6459 Soluble
147 S A -0.7003 Soluble
148 G A -0.8154 Soluble
149 G A -0.8855 Soluble
150 T A -0.6116 Soluble
151 A A 0.0000 Buried
152 A A 0.0000 Buried
153 L A 0.0000 Buried
154 G A 0.0000 Buried
155 C A 0.0000 Buried
156 L A 0.0000 Buried
157 V A 0.0000 Buried
158 K A 0.0000 Buried
159 D A -0.5035 Soluble
160 Y A 0.0000 Buried
161 F A -0.3264 Soluble
162 P A 0.0000 Buried
163 E A -0.3959 Soluble
164 P A -0.5177 Soluble
165 V A -0.5031 Soluble
166 T A -0.4431 Soluble
167 V A -0.2880 Soluble
168 S A -0.3731 Soluble
169 W A 0.0000 Buried
170 N A -0.8845 Soluble
171 S A -0.7330 Soluble
172 G A -0.6159 Soluble
173 A A -0.2978 Soluble
174 L A -0.0754 Soluble
175 T A -0.2255 Soluble
176 S A -0.2462 Soluble
177 G A -0.3725 Soluble
178 V A 0.0885 Aggregation-prone
179 H A -0.3145 Soluble
180 T A 0.0588 Aggregation-prone
181 F A 0.0000 Buried
182 P A -0.3053 Soluble
183 A A 0.1818 Aggregation-prone
184 V A 0.5364 Aggregation-prone
185 L A 1.2438 Aggregation-prone
186 Q A 0.3984 Aggregation-prone
187 S A -0.0014 Soluble
188 S A -0.1905 Soluble
189 G A 0.1142 Aggregation-prone
190 L A 0.1313 Aggregation-prone
191 Y A 0.4635 Aggregation-prone
192 S A 0.0000 Buried
193 L A 0.0000 Buried
194 S A 0.0000 Buried
195 S A 0.0000 Buried
196 V A 0.0000 Buried
197 V A 0.0000 Buried
198 T A -0.1589 Soluble
199 V A 0.0000 Buried
200 P A -0.6058 Soluble
201 S A -0.5614 Soluble
202 S A -0.5732 Soluble
203 S A -0.5521 Soluble
204 L A -0.7936 Soluble
205 G A -0.9658 Soluble
206 T A -0.7076 Soluble
207 Q A -1.2518 Soluble
208 T A -1.0616 Soluble
209 Y A 0.0000 Buried
210 I A -1.1259 Soluble
211 C A 0.0000 Buried
212 N A -1.4267 Soluble
213 V A 0.0000 Buried
214 N A -1.6400 Soluble
215 H A 0.0000 Buried
216 K A -2.4235 Soluble
217 P A -1.4220 Soluble
218 S A -1.7076 Soluble
219 N A -2.4459 Soluble
220 T A -1.9880 Soluble
221 K A -2.5019 Soluble
222 V A -1.3924 Soluble
223 D A -2.4916 Soluble
224 K A -1.9906 Soluble
225 K A -2.2965 Soluble
226 V A 0.0000 Buried
227 E A -2.7938 Soluble
228 P A -1.8979 Soluble
229 K A -2.4189 Soluble
230 S A -1.1720 Soluble
231 C A -0.5667 Soluble
232 H A -1.6410 Soluble
233 H A -2.1768 Soluble
234 H A -2.2988 Soluble
235 H A -2.5709 Soluble
236 H A -2.2826 Soluble
237 H A -1.8169 Soluble
2 I B 0.9484 Aggregation-prone
3 V B 1.5901 Aggregation-prone
4 M B 0.0000 Buried
5 T B -0.4797 Soluble
6 Q B -1.2649 Soluble
7 S B -1.4410 Soluble
8 P B -1.4851 Soluble
9 D B -2.4360 Soluble
10 S B -1.7437 Soluble
11 L B -0.9086 Soluble
12 A B -0.5304 Soluble
13 V B -0.6048 Soluble
14 S B -0.7463 Soluble
15 L B 0.0014 Aggregation-prone
16 G B -0.9636 Soluble
17 E B -2.0235 Soluble
18 R B -2.4825 Soluble
19 A B 0.0000 Buried
20 T B -0.6281 Soluble
21 I B 0.0000 Buried
22 N B -1.2892 Soluble
23 C B 0.0000 Buried
24 K B -1.5528 Soluble
25 S B 0.0000 Buried
26 S B -0.3226 Soluble
27 Q B -1.0211 Soluble
28 T B -0.6647 Soluble
29 V B 0.0000 Buried
30 L B -0.3254 Soluble
31 Y B -0.3507 Soluble
32 S B -0.7492 Soluble
33 S B -0.8373 Soluble
34 N B -1.5710 Soluble
35 N B -1.8155 Soluble
36 K B -1.4089 Soluble
37 K B -0.7907 Soluble
38 Y B 0.0000 Buried
39 L B 0.0000 Buried
40 A B 0.0000 Buried
41 W B 0.0000 Buried
42 Y B 0.0000 Buried
43 Q B -0.7761 Soluble
44 Q B -1.1339 Soluble
45 K B -1.7622 Soluble
46 P B -1.4322 Soluble
47 G B -1.4144 Soluble
48 Q B -2.0362 Soluble
49 P B -1.2172 Soluble
50 P B 0.0000 Buried
51 N B -0.9141 Soluble
52 L B 0.0000 Buried
53 L B 0.0000 Buried
54 I B 0.0000 Buried
55 Y B -0.2042 Soluble
56 W B -0.4157 Soluble
57 A B 0.0000 Buried
65 S B -0.6413 Soluble
66 T B -0.5586 Soluble
67 R B -1.4010 Soluble
68 E B -1.1521 Soluble
69 S B -0.9209 Soluble
70 G B -0.9203 Soluble
71 V B -0.9941 Soluble
72 P B -1.2975 Soluble
74 D B -2.2196 Soluble
75 R B -1.5716 Soluble
76 F B 0.0000 Buried
77 S B -0.9252 Soluble
78 G B -0.4805 Soluble
79 S B -0.6493 Soluble
80 G B -0.8629 Soluble
83 S B -0.7249 Soluble
84 G B 0.0000 Buried
85 T B -1.1427 Soluble
86 D B -1.6859 Soluble
87 F B 0.0000 Buried
88 T B -0.7740 Soluble
89 L B 0.0000 Buried
90 T B -0.6341 Soluble
91 I B 0.0000 Buried
92 S B -1.6041 Soluble
93 S B -1.3225 Soluble
94 L B 0.0000 Buried
95 Q B -1.2282 Soluble
96 A B -1.6409 Soluble
97 E B -2.2339 Soluble
98 D B 0.0000 Buried
99 V B 0.0000 Buried
100 A B 0.0000 Buried
101 V B -1.0911 Soluble
102 Y B 0.0000 Buried
103 Y B 0.0000 Buried
104 C B 0.0000 Buried
105 Q B 0.0000 Buried
106 Q B 0.0000 Buried
107 Y B 0.0000 Buried
108 Y B 0.6361 Aggregation-prone
109 S B 0.1677 Aggregation-prone
114 T B 0.0496 Aggregation-prone
115 P B 0.0919 Aggregation-prone
116 F B 0.0000 Buried
117 T B 0.3840 Aggregation-prone
118 F B 0.0000 Buried
119 G B 0.0000 Buried
120 P B -0.8378 Soluble
121 G B 0.0000 Buried
122 T B 0.0000 Buried
123 K B -2.3370 Soluble
124 V B 0.0000 Buried
125 E B -1.5202 Soluble
126 I B 0.0000 Buried
127 K B -1.0160 Soluble
128 R B -0.7306 Soluble
129 T B -0.0642 Soluble
130 V B 0.3804 Aggregation-prone
131 A B -0.0254 Soluble
132 A B -0.0808 Soluble
133 P B 0.0000 Buried
134 S B -0.1260 Soluble
135 V B 0.0000 Buried
136 F B 0.0000 Buried
137 I B 0.0000 Buried
138 F B 0.0000 Buried
139 P B -0.6095 Soluble
140 P B -0.8479 Soluble
141 S B 0.0000 Buried
142 D B -3.1817 Soluble
143 E B -3.1210 Soluble
144 Q B 0.0000 Buried
145 L B -2.3191 Soluble
146 K B -2.8885 Soluble
147 S B -1.8128 Soluble
148 G B -1.2857 Soluble
149 T B -1.2790 Soluble
150 A B 0.0000 Buried
151 S B 0.0000 Buried
152 V B 0.0000 Buried
153 V B 0.0000 Buried
154 C B 0.0000 Buried
155 L B 0.0000 Buried
156 L B 0.0000 Buried
157 N B 0.0000 Buried
158 N B -0.8963 Soluble
159 F B 0.0000 Buried
160 Y B 0.0000 Buried
161 P B -1.7715 Soluble
162 R B -3.1062 Soluble
163 E B -3.2082 Soluble
164 A B -2.2526 Soluble
165 K B -2.1156 Soluble
166 V B -0.8939 Soluble
167 Q B -0.5078 Soluble
168 W B 0.0000 Buried
169 K B -0.7272 Soluble
170 V B 0.0000 Buried
171 D B -1.9242 Soluble
172 N B -1.6055 Soluble
173 A B -0.4796 Soluble
174 L B 0.3135 Aggregation-prone
175 Q B -0.5785 Soluble
176 S B -0.7530 Soluble
177 G B -1.2712 Soluble
178 N B -1.5877 Soluble
179 S B -1.5059 Soluble
180 Q B -1.4737 Soluble
181 E B -1.7612 Soluble
182 S B -0.9707 Soluble
183 V B -0.9203 Soluble
184 T B 0.0000 Buried
185 E B -2.2668 Soluble
186 Q B 0.0000 Buried
187 D B -2.0429 Soluble
188 S B -2.2797 Soluble
189 K B -2.5665 Soluble
190 D B -1.8541 Soluble
191 S B 0.0000 Buried
192 T B 0.0000 Buried
193 Y B 0.0000 Buried
194 S B 0.0000 Buried
195 L B 0.0000 Buried
196 S B 0.0000 Buried
197 S B 0.0000 Buried
198 T B -0.8036 Soluble
199 L B 0.0000 Buried
200 T B -0.6997 Soluble
201 L B -0.9808 Soluble
202 S B -1.2120 Soluble
203 K B -2.2848 Soluble
204 A B -2.0782 Soluble
205 D B -2.8397 Soluble
206 Y B 0.0000 Buried
207 E B -3.6608 Soluble
208 K B -3.7067 Soluble
209 H B -2.9259 Soluble
210 K B -2.6753 Soluble
211 V B -1.2903 Soluble
212 Y B 0.0000 Buried
213 A B 0.0000 Buried
214 C B 0.0000 Buried
215 E B 0.0000 Buried
216 V B 0.0000 Buried
217 T B -1.0245 Soluble
218 H B 0.0000 Buried
219 Q B -1.5682 Soluble
220 G B -0.4107 Soluble
221 L B -0.1922 Soluble
222 S B -0.4342 Soluble
223 S B -0.3859 Soluble
224 P B -0.4041 Soluble
225 V B 0.3133 Aggregation-prone
226 T B -0.1552 Soluble
227 K B -0.4807 Soluble
228 S B -0.5249 Soluble
229 F B 0.0000 Buried
230 N B -1.3466 Soluble
231 R B -1.9729 Soluble
232 G B -1.7912 Soluble
233 E B -1.5844 Soluble
234 C B -0.5100 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
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
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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 -0.7528 2.3714 CSV PDB
4.5 -0.7942 2.3022 CSV PDB
5.0 -0.841 2.21 CSV PDB
5.5 -0.8821 2.1067 CSV PDB
6.0 -0.9054 1.9992 CSV PDB
6.5 -0.903 2.051 CSV PDB
7.0 -0.8777 2.23 CSV PDB
7.5 -0.8405 2.4501 CSV PDB
8.0 -0.7982 2.6877 CSV PDB
8.5 -0.7517 2.9311 CSV PDB
9.0 -0.6999 3.1751 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH