Tiragolumab / 8jeo

A4DAB268_8jeo_B_C | Source PDB: 8jeo | Chains: B, C | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.675
Max Score
1.7818
Min Score
-3.8076
Total Score
-300.39
Score CDR
-0.1193
Score non-CDR
-0.76

Calculation Parameters

Chain Sequence(s) EVQLQQSGPGLVKPSQTLSLTCAISGDSVSSNSAAWNWIRQSPSRGLEWLGKTYYRFKWYSDYAVSVKGRITINPDTSKNQFSLQLNSVTPEDTAVFYCTRESTTYDLLAGPFDYWGQGTLVTVSSASTKGPSVFPLAPSSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDIVMTQSPDSLAVSLGERATINCKSSQTVLYSSNNKKYLAWYQQKPGQPPNLLIYWASTRESGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQQYYSTPFTFGPGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input.pdb
Selected Chain(s) B (Heavy), C (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 -3.8076
Maximum Score 1.7818
Average Score -0.675
Total Score -300.3868

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

Index Residue Chain A4D Score Classification
1 E B -2.2003 Soluble
2 V B -1.7755 Soluble
3 Q B -2.1990 Soluble
4 L B 0.0000 Buried
5 Q B -1.8272 Soluble
6 Q B 0.0000 Buried
7 S B -0.7931 Soluble
8 G B -0.4442 Soluble
9 P B -0.4801 Soluble
11 G B 0.0393 Aggregation-prone
12 L B -0.2101 Soluble
13 V B 0.0000 Buried
14 K B -2.2504 Soluble
15 P B -1.7431 Soluble
16 S B -1.4936 Soluble
17 Q B -2.0252 Soluble
18 T B -1.4354 Soluble
19 L B 0.0000 Buried
20 S B -0.7839 Soluble
21 L B 0.0000 Buried
22 T B -0.7313 Soluble
23 C B 0.0000 Buried
24 A B -1.2037 Soluble
25 I B 0.0000 Buried
26 S B -1.4791 Soluble
27 G B -1.4749 Soluble
28 D B -1.2746 Soluble
29 S B -0.7708 Soluble
30 V B 0.0000 Buried
31 S B -0.4091 Soluble
34 S B -0.5179 Soluble
35 N B -0.7599 Soluble
36 S B -0.0760 Soluble
37 A B 0.0000 Buried
38 A B 0.0000 Buried
39 W B 0.0000 Buried
40 N B 0.0000 Buried
41 W B 0.0000 Buried
42 I B 0.0000 Buried
43 R B -0.4167 Soluble
44 Q B -0.5238 Soluble
45 S B 0.0000 Buried
46 P B -0.6087 Soluble
47 S B -0.9411 Soluble
48 R B -1.3434 Soluble
49 G B -0.9543 Soluble
50 L B 0.0000 Buried
51 E B -0.8811 Soluble
52 W B 0.0000 Buried
53 L B 0.0000 Buried
54 G B 0.0000 Buried
55 K B 0.0000 Buried
56 T B 0.0000 Buried
57 Y B 0.2417 Aggregation-prone
58 Y B 0.3610 Aggregation-prone
59 R B 0.0000 Buried
60 F B 1.1572 Aggregation-prone
62 K B -0.4459 Soluble
63 W B 0.1920 Aggregation-prone
64 Y B 0.3371 Aggregation-prone
65 S B -0.1453 Soluble
66 D B -0.5159 Soluble
67 Y B -0.2474 Soluble
68 A B 0.2032 Aggregation-prone
69 V B 0.9805 Aggregation-prone
70 S B 0.1049 Aggregation-prone
71 V B 0.0000 Buried
72 K B -1.4885 Soluble
74 G B -1.3024 Soluble
75 R B -1.4830 Soluble
76 I B 0.0000 Buried
77 T B -1.1169 Soluble
78 I B 0.0000 Buried
79 N B -1.4654 Soluble
80 P B -1.1623 Soluble
81 D B -1.5488 Soluble
82 T B -1.2486 Soluble
83 S B -1.3301 Soluble
84 K B -2.1616 Soluble
85 N B -1.6201 Soluble
86 Q B -1.4649 Soluble
87 F B 0.0000 Buried
88 S B -0.8403 Soluble
89 L B 0.0000 Buried
90 Q B -1.1289 Soluble
91 L B 0.0000 Buried
92 N B -1.3320 Soluble
93 S B -1.2624 Soluble
94 V B 0.0000 Buried
95 T B -1.4148 Soluble
96 P B -1.4386 Soluble
97 E B -2.0709 Soluble
98 D B 0.0000 Buried
99 T B -0.5071 Soluble
100 A B 0.0000 Buried
101 V B 0.3426 Aggregation-prone
102 F B 0.0000 Buried
103 Y B 0.0000 Buried
104 C B 0.0000 Buried
105 T B 0.0000 Buried
106 R B -0.3631 Soluble
107 E B 0.0000 Buried
108 S B 0.1479 Aggregation-prone
109 T B 0.0000 Buried
110 T B 0.6869 Aggregation-prone
111 Y B 1.4615 Aggregation-prone
111A D B 0.9657 Aggregation-prone
112B L B 1.3845 Aggregation-prone
112A L B 1.7818 Aggregation-prone
112 A B 1.0408 Aggregation-prone
113 G B 0.0000 Buried
114 P B 0.0000 Buried
115 F B 0.0000 Buried
116 D B -0.4914 Soluble
117 Y B -0.6613 Soluble
118 W B -0.7436 Soluble
119 G B 0.0000 Buried
120 Q B -1.7502 Soluble
121 G B -0.8020 Soluble
122 T B 0.0265 Aggregation-prone
123 L B 0.6221 Aggregation-prone
124 V B 0.0000 Buried
125 T B -0.3213 Soluble
126 V B 0.0000 Buried
127 S B -0.7969 Soluble
128 S B -0.8833 Soluble
129 A B -0.5286 Soluble
130 S B -0.6404 Soluble
131 T B -0.9067 Soluble
132 K B -1.2104 Soluble
133 G B -1.4416 Soluble
134 P B 0.0000 Buried
135 S B -0.4731 Soluble
136 V B 0.0000 Buried
137 F B 0.0000 Buried
138 P B -1.1696 Soluble
139 L B 0.0000 Buried
140 A B -1.2469 Soluble
141 P B 0.0000 Buried
142 S B -0.7430 Soluble
143 S B -0.1664 Soluble
144 G B -0.7852 Soluble
145 G B -0.8736 Soluble
146 T B -0.6000 Soluble
147 A B 0.0000 Buried
148 A B 0.0000 Buried
149 L B 0.0000 Buried
150 G B 0.0000 Buried
151 C B 0.0000 Buried
152 L B 0.0000 Buried
153 V B 0.0000 Buried
154 K B 0.0000 Buried
155 D B -0.4803 Soluble
156 Y B 0.0000 Buried
157 F B 0.0000 Buried
158 P B 0.0000 Buried
159 E B -0.2556 Soluble
160 P B -0.5811 Soluble
161 V B -0.7923 Soluble
162 T B -0.7760 Soluble
163 V B -0.3082 Soluble
164 S B -0.4603 Soluble
165 W B 0.0000 Buried
166 N B -0.6945 Soluble
167 S B -0.6276 Soluble
168 G B -0.5608 Soluble
169 A B -0.2193 Soluble
170 L B 0.0480 Aggregation-prone
171 T B -0.1276 Soluble
172 S B -0.1898 Soluble
173 G B -0.2373 Soluble
174 V B 0.1721 Aggregation-prone
175 H B -0.1112 Soluble
176 T B 0.0465 Aggregation-prone
177 F B 0.0000 Buried
178 P B -0.4072 Soluble
179 A B 0.1712 Aggregation-prone
180 V B 0.4288 Aggregation-prone
181 L B 1.0983 Aggregation-prone
182 Q B 0.0640 Aggregation-prone
183 S B -0.2374 Soluble
184 S B -0.2455 Soluble
185 G B 0.0090 Aggregation-prone
186 L B 0.1246 Aggregation-prone
187 Y B 0.4389 Aggregation-prone
188 S B 0.0000 Buried
189 L B 0.1178 Aggregation-prone
190 S B 0.0000 Buried
191 S B 0.0000 Buried
192 V B 0.0000 Buried
193 V B 0.0000 Buried
194 T B -0.1439 Soluble
195 V B 0.0000 Buried
196 P B -0.6438 Soluble
197 S B -0.6487 Soluble
198 S B -0.6066 Soluble
199 S B -0.5627 Soluble
200 L B -0.7723 Soluble
201 G B -0.9124 Soluble
202 T B -0.6562 Soluble
203 Q B -1.1529 Soluble
204 T B -1.0478 Soluble
205 Y B 0.0000 Buried
206 I B -1.0483 Soluble
207 C B 0.0000 Buried
208 N B -1.5619 Soluble
209 V B 0.0000 Buried
210 N B -2.6319 Soluble
211 H B 0.0000 Buried
212 K B -2.9407 Soluble
213 P B -1.6999 Soluble
214 S B -1.9445 Soluble
215 N B -2.7310 Soluble
216 T B -2.2798 Soluble
217 K B -2.9123 Soluble
218 V B -1.6742 Soluble
219 D B -2.4293 Soluble
220 K B -1.9009 Soluble
221 K B -2.4526 Soluble
222 V B 0.0000 Buried
223 E B -2.8763 Soluble
224 P B -1.8967 Soluble
225 K B -2.2108 Soluble
226 S B -0.8781 Soluble
227 C B 0.0291 Aggregation-prone
1 D C -1.5449 Soluble
2 I C 0.0000 Buried
3 V C 0.8259 Aggregation-prone
4 M C 0.0000 Buried
5 T C -0.6778 Soluble
6 Q C -1.4540 Soluble
7 S C -1.4550 Soluble
8 P C -1.5329 Soluble
9 D C -2.4132 Soluble
10 S C -1.5417 Soluble
11 L C -0.8007 Soluble
12 A C -0.6970 Soluble
13 V C -1.0393 Soluble
14 S C -1.0968 Soluble
15 L C -0.1925 Soluble
16 G C -1.0518 Soluble
17 E C -2.6549 Soluble
18 R C -2.7309 Soluble
19 A C 0.0000 Buried
20 T C -0.7076 Soluble
21 I C 0.0000 Buried
22 N C -1.7802 Soluble
23 C C 0.0000 Buried
24 K C -1.9114 Soluble
25 S C 0.0000 Buried
26 S C -0.8524 Soluble
27 Q C -1.4412 Soluble
28 T C -0.7814 Soluble
29 V C 0.0000 Buried
30 L C -0.1368 Soluble
31 Y C 0.2497 Aggregation-prone
32 S C -0.5067 Soluble
33 S C -0.6741 Soluble
34 N C -1.0919 Soluble
35 N C -1.5752 Soluble
36 K C -1.0800 Soluble
37 K C -0.6390 Soluble
38 Y C 0.0000 Buried
39 L C 0.0000 Buried
40 A C 0.0000 Buried
41 W C 0.0000 Buried
42 Y C 0.0000 Buried
43 Q C -0.7026 Soluble
44 Q C -1.0164 Soluble
45 K C -1.4862 Soluble
46 P C -1.2843 Soluble
47 G C -1.3241 Soluble
48 Q C -1.7637 Soluble
49 P C -1.1649 Soluble
50 P C 0.0000 Buried
51 N C -0.9276 Soluble
52 L C 0.0000 Buried
53 L C 0.0000 Buried
54 I C 0.0000 Buried
55 Y C -0.1147 Soluble
56 W C -0.3187 Soluble
57 A C 0.0000 Buried
65 S C -0.5500 Soluble
66 T C -0.4739 Soluble
67 R C -1.2258 Soluble
68 E C -1.0528 Soluble
69 S C -0.8894 Soluble
70 G C -0.9044 Soluble
71 V C -0.9937 Soluble
72 P C -1.3454 Soluble
74 D C -2.2807 Soluble
75 R C -1.6377 Soluble
76 F C 0.0000 Buried
77 S C -0.9310 Soluble
78 G C -0.4915 Soluble
79 S C -0.7047 Soluble
80 G C -1.0057 Soluble
83 S C -0.7947 Soluble
84 G C -0.9026 Soluble
85 T C -1.3710 Soluble
86 D C -1.9989 Soluble
87 F C 0.0000 Buried
88 T C -0.9851 Soluble
89 L C 0.0000 Buried
90 T C -0.7216 Soluble
91 I C 0.0000 Buried
92 S C -1.7329 Soluble
93 S C -1.4707 Soluble
94 L C 0.0000 Buried
95 Q C -1.4496 Soluble
96 A C -1.7509 Soluble
97 E C -2.6289 Soluble
98 D C 0.0000 Buried
99 V C 0.0000 Buried
100 A C 0.0000 Buried
101 V C -0.8794 Soluble
102 Y C 0.0000 Buried
103 Y C 0.0000 Buried
104 C C 0.0000 Buried
105 Q C 0.0000 Buried
106 Q C 0.0000 Buried
107 Y C 0.0000 Buried
108 Y C 0.4064 Aggregation-prone
109 S C -0.3012 Soluble
114 T C -0.5068 Soluble
115 P C -0.3748 Soluble
116 F C 0.0000 Buried
117 T C -0.0842 Soluble
118 F C 0.0000 Buried
119 G C 0.0000 Buried
120 P C -0.7046 Soluble
121 G C -0.9854 Soluble
122 T C 0.0000 Buried
123 K C -1.8405 Soluble
124 V C 0.0000 Buried
125 E C -1.2535 Soluble
126 I C 0.0000 Buried
127 K C -1.5376 Soluble
128 R C -0.9075 Soluble
129 T C -0.1370 Soluble
130 V C 0.4232 Aggregation-prone
131 A C 0.0547 Aggregation-prone
132 A C -0.1051 Soluble
133 P C 0.0000 Buried
134 S C -0.1875 Soluble
135 V C 0.0000 Buried
136 F C 0.2226 Aggregation-prone
137 I C 0.1590 Aggregation-prone
138 F C 0.0000 Buried
139 P C -0.5215 Soluble
140 P C -0.8439 Soluble
141 S C -1.8580 Soluble
142 D C -2.9851 Soluble
143 E C -3.0240 Soluble
144 Q C 0.0000 Buried
145 L C -2.2959 Soluble
146 K C -2.8919 Soluble
147 S C -1.8235 Soluble
148 G C -1.2716 Soluble
149 T C -1.2588 Soluble
150 A C 0.0000 Buried
151 S C 0.0000 Buried
152 V C 0.0000 Buried
153 V C 0.0000 Buried
154 C C 0.0000 Buried
155 L C 0.0000 Buried
156 L C 0.0000 Buried
157 N C 0.0000 Buried
158 N C -0.7982 Soluble
159 F C 0.0000 Buried
160 Y C 0.0000 Buried
161 P C -1.3777 Soluble
162 R C -2.2679 Soluble
163 E C -2.8626 Soluble
164 A C -2.1142 Soluble
165 K C -2.2037 Soluble
166 V C -1.1470 Soluble
167 Q C -0.7626 Soluble
168 W C 0.0000 Buried
169 K C -0.7721 Soluble
170 V C 0.0000 Buried
171 D C -2.0985 Soluble
172 N C -1.6585 Soluble
173 A C -0.3662 Soluble
174 L C 0.6199 Aggregation-prone
175 Q C -0.3845 Soluble
176 S C -0.7874 Soluble
177 G C -1.3622 Soluble
178 N C -1.8023 Soluble
179 S C -1.6672 Soluble
180 Q C -1.7589 Soluble
181 E C -1.9716 Soluble
182 S C -0.9228 Soluble
183 V C -0.4507 Soluble
184 T C -0.9375 Soluble
185 E C -2.0094 Soluble
186 Q C 0.0000 Buried
187 D C -2.0891 Soluble
188 S C -2.4101 Soluble
189 K C -2.6565 Soluble
190 D C -1.8546 Soluble
191 S C 0.0000 Buried
192 T C 0.0000 Buried
193 Y C 0.0000 Buried
194 S C 0.0000 Buried
195 L C 0.0000 Buried
196 S C 0.0000 Buried
197 S C 0.0000 Buried
198 T C -0.8327 Soluble
199 L C 0.0000 Buried
200 T C -0.7072 Soluble
201 L C -0.9173 Soluble
202 S C -1.1399 Soluble
203 K C -2.1954 Soluble
204 A C -2.0360 Soluble
205 D C -2.7799 Soluble
206 Y C 0.0000 Buried
207 E C -3.7834 Soluble
208 K C -3.8076 Soluble
209 H C -3.1113 Soluble
210 K C -3.3286 Soluble
211 V C -1.4583 Soluble
212 Y C 0.0000 Buried
213 A C 0.0000 Buried
214 C C 0.0000 Buried
215 E C -0.9584 Soluble
216 V C 0.0000 Buried
217 T C -1.1724 Soluble
218 H C 0.0000 Buried
219 Q C -1.4950 Soluble
220 G C -0.4103 Soluble
221 L C -0.2076 Soluble
222 S C -0.4346 Soluble
223 S C -0.4351 Soluble
224 P C -0.5807 Soluble
225 V C -0.0033 Soluble
226 T C -0.4987 Soluble
227 K C -0.6747 Soluble
228 S C -0.5257 Soluble
229 F C -0.7496 Soluble
230 N C -1.7177 Soluble
231 R C -2.5065 Soluble
232 G C -1.9596 Soluble
233 E C -2.0289 Soluble
234 C C -0.2892 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 -0.6409 2.6394 CSV PDB
4.5 -0.6885 2.6421 CSV PDB
5.0 -0.7432 2.6503 CSV PDB
5.5 -0.7939 2.6744 CSV PDB
6.0 -0.8289 2.7365 CSV PDB
6.5 -0.8388 2.8615 CSV PDB
7.0 -0.8241 3.048 CSV PDB
7.5 -0.7932 3.2703 CSV PDB
8.0 -0.7536 3.5071 CSV PDB
8.5 -0.7073 3.7484 CSV PDB
9.0 -0.6541 3.9898 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH