Dupilumab / 6wg8

A4DAB093_6wg8_A_B | Source PDB: 6wg8 | Chains: A, B | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6585
Max Score
2.2927
Min Score
-3.5598
Total Score
-285.77
Score CDR
-0.1035
Score non-CDR
-0.7424

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLEQPGGSLRLSCAGSGFTFRDYAMTWVRQAPGKGLEWVSSISGSGGNTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAKDRLSITIRPRYYGLDVWGQGTTVTVSSASTKGPSVFPLAPCESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGKTYTCNVDHKPSNTKVDKRVEDIVMTQSPLSLPVTPGEPASISCRSSQSLLYSIGYNYLDWYLQKSGQSPQLLIYLGSNRASGVPDRFSGSGSGTDFTLKISRVEAEDVGFYYCMQALQTPYTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTQGTTSVTKSFNRGE 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 -3.5598
Maximum Score 2.2927
Average Score -0.6585
Total Score -285.7719

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

Index Residue Chain A4D Score Classification
1 E A -2.1034 Soluble
2 V A -1.2508 Soluble
3 Q A -1.2816 Soluble
4 L A 0.0000 Buried
5 V A 1.1164 Aggregation-prone
6 E A 0.0000 Buried
7 S A -0.3565 Soluble
8 G A -0.9803 Soluble
9 G A -0.8122 Soluble
11 G A -0.9478 Soluble
12 L A -0.6591 Soluble
13 E A -1.3003 Soluble
14 Q A -1.8833 Soluble
15 P A -1.7290 Soluble
16 G A -1.4365 Soluble
17 G A -1.2398 Soluble
18 S A -1.2465 Soluble
19 L A -0.9339 Soluble
20 R A -1.6748 Soluble
21 L A 0.0000 Buried
22 S A -0.2763 Soluble
23 C A 0.0000 Buried
24 A A -0.2205 Soluble
25 G A 0.0000 Buried
26 S A -0.8322 Soluble
27 G A -1.2108 Soluble
28 F A -0.7538 Soluble
29 T A -0.7427 Soluble
30 F A 0.0000 Buried
35 R A -2.0351 Soluble
36 D A -0.5106 Soluble
37 Y A -0.3403 Soluble
38 A A 0.0000 Buried
39 M A 0.0000 Buried
40 T A 0.0000 Buried
41 W A 0.0000 Buried
42 V A 0.0000 Buried
43 R A 0.0000 Buried
44 Q A -0.9536 Soluble
45 A A -1.2762 Soluble
46 P A -1.0570 Soluble
47 G A -1.4746 Soluble
48 K A -2.4526 Soluble
49 G A -1.6272 Soluble
50 L A 0.0000 Buried
51 E A -1.4549 Soluble
52 W A 0.0000 Buried
53 V A 0.0000 Buried
54 S A 0.0000 Buried
55 S A 0.0000 Buried
56 I A 0.0000 Buried
57 S A -0.9514 Soluble
58 G A 0.0000 Buried
59 S A -1.1290 Soluble
62 G A -1.3482 Soluble
63 G A -1.2570 Soluble
64 N A -1.5004 Soluble
65 T A -0.4870 Soluble
66 Y A -0.0305 Soluble
67 Y A -0.5132 Soluble
68 A A -1.2489 Soluble
69 D A -2.3430 Soluble
70 S A -1.7649 Soluble
71 V A 0.0000 Buried
72 K A -2.4885 Soluble
74 G A -1.7519 Soluble
75 R A -1.5323 Soluble
76 F A 0.0000 Buried
77 T A -0.7394 Soluble
78 I A 0.0000 Buried
79 S A -0.6126 Soluble
80 R A -1.2805 Soluble
81 D A -1.9149 Soluble
82 N A -2.2653 Soluble
83 S A -1.8699 Soluble
84 K A -2.4160 Soluble
85 N A -2.1635 Soluble
86 T A 0.0000 Buried
87 L A 0.0000 Buried
88 Y A -0.5218 Soluble
89 L A 0.0000 Buried
90 Q A -1.0717 Soluble
91 M A 0.0000 Buried
92 N A -1.4867 Soluble
93 S A -1.2287 Soluble
94 L A 0.0000 Buried
95 R A -2.1991 Soluble
96 A A -1.6755 Soluble
97 E A -2.1776 Soluble
98 D A 0.0000 Buried
99 T A -0.7747 Soluble
100 A A 0.0000 Buried
101 V A 0.1941 Aggregation-prone
102 Y A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 A A 0.0000 Buried
106 K A 0.0000 Buried
107 D A 0.0000 Buried
108 R A -0.3980 Soluble
109 L A -0.1069 Soluble
110 S A 0.4434 Aggregation-prone
111 I A 1.7805 Aggregation-prone
111A T A 1.3158 Aggregation-prone
111B I A 1.7157 Aggregation-prone
112C R A -0.1926 Soluble
112B P A -0.2441 Soluble
112A R A -0.8484 Soluble
112 Y A 0.0000 Buried
113 Y A -0.0905 Soluble
114 G A 0.0000 Buried
115 L A 0.0000 Buried
116 D A -0.4869 Soluble
117 V A -0.4501 Soluble
118 W A -0.2754 Soluble
119 G A 0.0000 Buried
120 Q A -1.1285 Soluble
121 G A -0.4438 Soluble
122 T A -0.2977 Soluble
123 T A -0.2649 Soluble
124 V A 0.0000 Buried
125 T A -0.7068 Soluble
126 V A 0.0000 Buried
127 S A -1.0728 Soluble
128 S A -0.7633 Soluble
129 A A -0.5513 Soluble
130 S A -0.6588 Soluble
131 T A -0.8232 Soluble
132 K A -1.1317 Soluble
133 G A -1.4095 Soluble
134 P A -0.6231 Soluble
135 S A -0.2540 Soluble
136 V A 0.0000 Buried
137 F A -0.5790 Soluble
138 P A -1.0628 Soluble
139 L A 0.0000 Buried
140 A A -0.2688 Soluble
141 P A 0.0081 Aggregation-prone
142 C A 0.0790 Aggregation-prone
143 E A -2.0014 Soluble
144 S A -1.2297 Soluble
145 T A -0.8506 Soluble
146 A A -0.5240 Soluble
147 A A 0.0000 Buried
148 L A 0.0000 Buried
149 G A 0.0000 Buried
150 C A 0.0000 Buried
151 L A 0.0000 Buried
152 V A 0.0000 Buried
153 K A 0.0000 Buried
154 D A -0.3540 Soluble
155 Y A 0.0000 Buried
156 F A -0.2578 Soluble
157 P A 0.0000 Buried
158 E A -0.6382 Soluble
159 P A -0.7607 Soluble
160 V A 0.0000 Buried
161 T A -0.6792 Soluble
162 V A -0.3302 Soluble
163 S A -0.3964 Soluble
164 W A 0.0000 Buried
165 N A -0.9435 Soluble
166 S A -0.6940 Soluble
167 G A -0.6201 Soluble
168 A A -0.2857 Soluble
169 L A -0.0888 Soluble
170 T A -0.1900 Soluble
171 S A -0.1932 Soluble
172 G A -0.2341 Soluble
173 V A 0.1814 Aggregation-prone
174 H A -0.1343 Soluble
175 T A -0.0079 Soluble
176 F A 0.0000 Buried
177 P A -0.3937 Soluble
178 A A 0.0229 Aggregation-prone
179 V A 0.3390 Aggregation-prone
180 L A 1.1768 Aggregation-prone
181 Q A 0.2797 Aggregation-prone
182 S A -0.0760 Soluble
183 S A -0.2221 Soluble
184 G A 0.0322 Aggregation-prone
185 L A 0.1842 Aggregation-prone
186 Y A 0.4454 Aggregation-prone
187 S A 0.0000 Buried
188 L A 0.0000 Buried
189 S A 0.0000 Buried
190 S A 0.0000 Buried
191 V A 0.0000 Buried
192 V A 0.0000 Buried
193 T A -0.1086 Soluble
194 V A 0.0000 Buried
195 P A -0.6357 Soluble
196 S A -0.7597 Soluble
197 S A -0.6577 Soluble
198 S A -0.5235 Soluble
199 L A -0.4466 Soluble
200 G A -0.8405 Soluble
201 K A -1.8712 Soluble
202 T A -1.5973 Soluble
203 Y A 0.0000 Buried
204 T A 0.0000 Buried
205 C A 0.0000 Buried
206 N A -1.3085 Soluble
207 V A 0.0000 Buried
208 D A -1.8702 Soluble
209 H A 0.0000 Buried
210 K A -2.7917 Soluble
211 P A -1.6452 Soluble
212 S A -1.7990 Soluble
213 N A -2.4409 Soluble
214 T A -2.1070 Soluble
215 K A -2.5282 Soluble
216 V A -1.2597 Soluble
217 D A -1.7335 Soluble
218 K A -1.8902 Soluble
219 R A -2.6476 Soluble
220 V A 0.0000 Buried
221 E A -2.4797 Soluble
1 D B -1.6860 Soluble
2 I B 0.0000 Buried
3 V B 0.6865 Aggregation-prone
4 M B 0.0000 Buried
5 T B -0.5540 Soluble
6 Q B 0.0000 Buried
7 S B -0.4109 Soluble
8 P B 0.0014 Aggregation-prone
9 L B 0.5907 Aggregation-prone
10 S B 0.1930 Aggregation-prone
11 L B -0.0467 Soluble
12 P B -0.6943 Soluble
13 V B 0.0000 Buried
14 T B -1.7397 Soluble
15 P B -1.9307 Soluble
16 G B -2.1339 Soluble
17 E B -2.6085 Soluble
18 P B -2.1730 Soluble
19 A B 0.0000 Buried
20 S B -0.7187 Soluble
21 I B 0.0000 Buried
22 S B -0.9723 Soluble
23 C B 0.0000 Buried
24 R B -2.2224 Soluble
25 S B 0.0000 Buried
26 S B -0.9762 Soluble
27 Q B -1.5364 Soluble
28 S B -0.7667 Soluble
29 L B 0.0000 Buried
30 L B 1.5926 Aggregation-prone
31 Y B 2.1286 Aggregation-prone
32 S B 1.7515 Aggregation-prone
34 I B 2.2927 Aggregation-prone
35 G B 1.0492 Aggregation-prone
36 Y B 1.5743 Aggregation-prone
37 N B 0.0000 Buried
38 Y B 0.0000 Buried
39 L B 0.0000 Buried
40 D B 0.0000 Buried
41 W B 0.0000 Buried
42 Y B 0.0000 Buried
43 L B 0.0000 Buried
44 Q B -0.6496 Soluble
45 K B -1.3848 Soluble
46 S B -1.2467 Soluble
47 G B -1.5500 Soluble
48 Q B -1.9807 Soluble
49 S B -1.2704 Soluble
50 P B 0.0000 Buried
51 Q B -1.0030 Soluble
52 L B 0.0000 Buried
53 L B 0.0000 Buried
54 I B 0.0000 Buried
55 Y B -0.2061 Soluble
56 L B 0.0000 Buried
57 G B 0.0000 Buried
65 S B -0.8430 Soluble
66 N B -1.2019 Soluble
67 R B -1.8683 Soluble
68 A B -1.0211 Soluble
69 S B -0.8055 Soluble
70 G B -0.9034 Soluble
71 V B -1.0735 Soluble
72 P B -1.3245 Soluble
74 D B -2.3924 Soluble
75 R B -1.9450 Soluble
76 F B 0.0000 Buried
77 S B -1.3161 Soluble
78 G B 0.0000 Buried
79 S B -0.7823 Soluble
80 G B -1.0925 Soluble
83 S B -0.6235 Soluble
84 G B -0.6467 Soluble
85 T B -1.6578 Soluble
86 D B -2.3750 Soluble
87 F B 0.0000 Buried
88 T B -1.0585 Soluble
89 L B 0.0000 Buried
90 K B -1.4772 Soluble
91 I B 0.0000 Buried
92 S B -2.2292 Soluble
93 R B -3.2741 Soluble
94 V B 0.0000 Buried
95 E B -2.5807 Soluble
96 A B -2.4043 Soluble
97 E B -2.8093 Soluble
98 D B 0.0000 Buried
99 V B 0.0000 Buried
100 G B 0.0000 Buried
101 F B 0.4543 Aggregation-prone
102 Y B 0.0000 Buried
103 Y B 0.0000 Buried
104 C B 0.0000 Buried
105 M B 0.0000 Buried
106 Q B 0.0000 Buried
107 A B 0.0000 Buried
108 L B 0.0074 Aggregation-prone
109 Q B -1.2648 Soluble
114 T B -0.6856 Soluble
115 P B -1.0086 Soluble
116 Y B 0.0000 Buried
117 T B -0.3639 Soluble
118 F B -0.0905 Soluble
119 G B 0.0000 Buried
120 Q B -1.0751 Soluble
121 G B 0.0000 Buried
122 T B 0.0000 Buried
123 K B -0.2377 Soluble
124 L B 0.0000 Buried
125 E B -0.9528 Soluble
126 I B 0.0000 Buried
127 K B -1.4846 Soluble
128 R B -1.0016 Soluble
129 T B 0.2410 Aggregation-prone
130 V B 1.2860 Aggregation-prone
131 A B 0.7094 Aggregation-prone
132 A B 0.3399 Aggregation-prone
133 P B 0.1259 Aggregation-prone
134 S B -0.0552 Soluble
135 V B 0.0889 Aggregation-prone
136 F B 0.1336 Aggregation-prone
137 I B 0.1526 Aggregation-prone
138 F B 0.0000 Buried
139 P B -0.2312 Soluble
140 P B 0.0000 Buried
141 S B -1.3362 Soluble
142 D B -2.6748 Soluble
143 E B -2.4926 Soluble
144 Q B 0.0000 Buried
145 L B -2.1340 Soluble
146 K B -2.6484 Soluble
147 S B -1.6096 Soluble
148 G B -1.1775 Soluble
149 T B -0.9848 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 -0.8163 Soluble
159 F B 0.0000 Buried
160 Y B -0.6056 Soluble
161 P B -1.3115 Soluble
162 R B -2.8772 Soluble
163 E B -3.1559 Soluble
164 A B -2.2521 Soluble
165 K B -2.3493 Soluble
166 V B -0.9723 Soluble
167 Q B -0.3908 Soluble
168 W B 0.0000 Buried
169 K B -0.4412 Soluble
170 V B 0.0000 Buried
171 D B -1.6513 Soluble
172 N B -1.4054 Soluble
173 A B -0.1864 Soluble
174 L B 0.8347 Aggregation-prone
175 Q B -0.1853 Soluble
176 S B -0.6583 Soluble
177 G B -1.2369 Soluble
178 N B -1.5062 Soluble
179 S B -1.4647 Soluble
180 Q B -1.5704 Soluble
181 E B -1.9958 Soluble
182 S B -1.0449 Soluble
183 V B -0.8325 Soluble
184 T B -0.9940 Soluble
185 E B -1.8252 Soluble
186 Q B 0.0000 Buried
187 D B -2.1653 Soluble
188 S B -2.4635 Soluble
189 K B -2.7880 Soluble
190 D B -1.9134 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 -0.7687 Soluble
199 L B 0.0000 Buried
200 T B -0.6579 Soluble
201 L B -0.8575 Soluble
202 S B -1.1175 Soluble
203 K B -2.1835 Soluble
204 A B -1.9794 Soluble
205 D B -2.6395 Soluble
206 Y B 0.0000 Buried
207 E B -3.4620 Soluble
208 K B -3.5598 Soluble
209 H B -2.7525 Soluble
210 K B -2.6876 Soluble
211 V B -0.9646 Soluble
212 Y B 0.0000 Buried
213 A B 0.0000 Buried
214 C B 0.0000 Buried
215 E B -0.6974 Soluble
216 V B 0.0000 Buried
217 T B -1.0321 Soluble
218 Q B -1.0647 Soluble
219 G B -1.0192 Soluble
220 T B -0.4101 Soluble
221 T B -0.2573 Soluble
222 S B -0.3657 Soluble
223 V B 0.1352 Aggregation-prone
224 T B -0.3300 Soluble
225 K B -0.6874 Soluble
226 S B -0.4235 Soluble
227 F B 0.0000 Buried
228 N B -1.4510 Soluble
229 R B -2.0921 Soluble
230 G B -2.0011 Soluble
231 E B -2.2781 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 -0.6699 3.0401 CSV PDB
4.5 -0.7158 3.0401 CSV PDB
5.0 -0.7712 3.0401 CSV PDB
5.5 -0.8258 3.0401 CSV PDB
6.0 -0.8684 3.0401 CSV PDB
6.5 -0.8892 3.0401 CSV PDB
7.0 -0.8867 3.0401 CSV PDB
7.5 -0.8683 3.04 CSV PDB
8.0 -0.8413 3.0398 CSV PDB
8.5 -0.8083 3.0392 CSV PDB
9.0 -0.7692 3.0371 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH