Dupilumab / 6wgj

A4DAB093_6wgj_A_B | Source PDB: 6wgj | Chains: A, B | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6976
Max Score
2.3235
Min Score
-3.5251
Total Score
-301.38
Score CDR
-0.3159
Score non-CDR
-0.7545

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLEQPGGSLRLSCAGSGFTFRDYAMTWVRQAPGKGLEWVSSISGSGGNTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAKDRLSTIRPRYYGLDVWGQGTTVTVSSASTKGPSVFPLAPSTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVEDIVMTQSPLSLPVTPGEPASISCRSSQSLLYSIGYNYLDWYLQKSGQSPQLLIYLGSNRASGVPDRFSGSGSGTDFTLKISRVEAEDVGFYYCMQALQTPYTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTQGTTSVTKSFNRGE 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 -3.5251
Maximum Score 2.3235
Average Score -0.6976
Total Score -301.3838

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

Index Residue Chain A4D Score Classification
1 E A -2.0058 Soluble
2 V A -1.2214 Soluble
3 Q A -1.0632 Soluble
4 L A 0.0000 Buried
5 V A 0.8023 Aggregation-prone
6 E A 0.0000 Buried
7 S A -0.4700 Soluble
8 G A -0.9253 Soluble
9 G A -0.8810 Soluble
11 G A -0.7860 Soluble
12 L A -0.6039 Soluble
13 E A -1.4471 Soluble
14 Q A -1.9340 Soluble
15 P A -1.7405 Soluble
16 G A -1.4587 Soluble
17 G A -1.2909 Soluble
18 S A -1.3656 Soluble
19 L A -1.2805 Soluble
20 R A -2.0230 Soluble
21 L A 0.0000 Buried
22 S A -0.3626 Soluble
23 C A 0.0000 Buried
24 A A -0.1671 Soluble
25 G A 0.0000 Buried
26 S A -0.9058 Soluble
27 G A -1.1168 Soluble
28 F A -0.8026 Soluble
29 T A -0.9720 Soluble
30 F A 0.0000 Buried
35 R A -2.8616 Soluble
36 D A -1.9880 Soluble
37 Y A -1.1387 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 -0.8873 Soluble
45 A A -1.2664 Soluble
46 P A -0.9813 Soluble
47 G A -1.4699 Soluble
48 K A -2.4111 Soluble
49 G A -1.5664 Soluble
50 L A 0.0000 Buried
51 E A -1.3586 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 -1.1410 Soluble
58 G A 0.0000 Buried
59 S A -1.5467 Soluble
62 G A -1.4398 Soluble
63 G A -1.2912 Soluble
64 N A -1.5441 Soluble
65 T A -0.5666 Soluble
66 Y A -0.2081 Soluble
67 Y A -0.6766 Soluble
68 A A -1.5711 Soluble
69 D A -2.5895 Soluble
70 S A -1.8507 Soluble
71 V A 0.0000 Buried
72 K A -2.5266 Soluble
74 G A -1.7725 Soluble
75 R A -1.3535 Soluble
76 F A 0.0000 Buried
77 T A -0.7850 Soluble
78 I A 0.0000 Buried
79 S A -0.3614 Soluble
80 R A -1.2028 Soluble
81 D A -1.8016 Soluble
82 N A -2.2439 Soluble
83 S A -1.7798 Soluble
84 K A -2.4899 Soluble
85 N A -1.9727 Soluble
86 T A -1.1330 Soluble
87 L A 0.0000 Buried
88 Y A -0.3980 Soluble
89 L A 0.0000 Buried
90 Q A -1.0927 Soluble
91 M A 0.0000 Buried
92 N A -1.4383 Soluble
93 S A -1.2136 Soluble
94 L A 0.0000 Buried
95 R A -2.1608 Soluble
96 A A -1.5854 Soluble
97 E A -2.1724 Soluble
98 D A 0.0000 Buried
99 T A -0.7884 Soluble
100 A A 0.0000 Buried
101 V A 0.1200 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 -0.6473 Soluble
109 L A -0.8523 Soluble
110 S A -1.0137 Soluble
111 T A -0.0561 Soluble
111A I A 0.9293 Aggregation-prone
111B R A -1.1871 Soluble
112B P A -1.1172 Soluble
112A R A -1.1628 Soluble
112 Y A 0.0000 Buried
113 Y A 0.0554 Aggregation-prone
114 G A 0.0000 Buried
115 L A 0.0000 Buried
116 D A -0.5576 Soluble
117 V A -0.4598 Soluble
118 W A 0.0000 Buried
119 G A 0.0000 Buried
120 Q A -1.2617 Soluble
121 G A -0.4893 Soluble
122 T A -0.1794 Soluble
123 T A -0.1146 Soluble
124 V A 0.0000 Buried
125 T A -0.7378 Soluble
126 V A 0.0000 Buried
127 S A -0.9187 Soluble
128 S A -0.8475 Soluble
129 A A -0.6292 Soluble
130 S A -0.8102 Soluble
131 T A -0.9506 Soluble
132 K A -1.7033 Soluble
133 G A -1.6569 Soluble
134 P A 0.0000 Buried
135 S A -0.5306 Soluble
136 V A 0.0000 Buried
137 F A 0.0000 Buried
138 P A -1.2712 Soluble
139 L A 0.0000 Buried
140 A A -0.5728 Soluble
141 P A -0.4095 Soluble
142 S A -0.3878 Soluble
143 T A -0.3565 Soluble
144 A A -0.1393 Soluble
145 A A 0.0000 Buried
146 L A 0.0000 Buried
147 G A 0.0000 Buried
148 C A 0.0000 Buried
149 L A 0.0000 Buried
150 V A 0.0000 Buried
151 K A 0.0000 Buried
152 D A -0.6267 Soluble
153 Y A 0.0000 Buried
154 F A 0.0000 Buried
155 P A 0.0000 Buried
156 E A -0.5045 Soluble
157 P A -0.6488 Soluble
158 V A -0.6073 Soluble
159 T A -0.5222 Soluble
160 V A -0.1292 Soluble
161 S A -0.4534 Soluble
162 W A 0.0000 Buried
163 N A -1.0526 Soluble
164 S A -0.7647 Soluble
165 G A -0.4726 Soluble
166 A A -0.2146 Soluble
167 L A -0.0401 Soluble
168 T A -0.1432 Soluble
169 S A -0.1729 Soluble
170 G A -0.1848 Soluble
171 V A 0.2188 Aggregation-prone
172 H A -0.1843 Soluble
173 T A -0.0389 Soluble
174 F A 0.0000 Buried
175 P A -0.3262 Soluble
176 A A 0.0332 Aggregation-prone
177 V A 0.3067 Aggregation-prone
178 L A 0.9812 Aggregation-prone
179 Q A 0.1284 Aggregation-prone
180 S A -0.1180 Soluble
181 S A -0.2725 Soluble
182 G A -0.0514 Soluble
183 L A -0.0518 Soluble
184 Y A 0.2843 Aggregation-prone
185 S A 0.0000 Buried
186 L A 0.0000 Buried
187 S A 0.0000 Buried
188 S A 0.0000 Buried
189 V A 0.0000 Buried
190 V A 0.0000 Buried
191 T A -0.1582 Soluble
192 V A 0.0000 Buried
193 P A -0.5040 Soluble
194 S A -0.2981 Soluble
195 S A -0.5214 Soluble
196 S A -0.6282 Soluble
197 L A -0.5345 Soluble
198 G A -0.9623 Soluble
199 T A -0.9798 Soluble
200 K A -1.7630 Soluble
201 T A -1.6225 Soluble
202 Y A 0.0000 Buried
203 T A 0.0000 Buried
204 C A 0.0000 Buried
205 N A -1.5787 Soluble
206 V A 0.0000 Buried
207 D A -1.8023 Soluble
208 H A 0.0000 Buried
209 K A -2.7710 Soluble
210 P A -1.6920 Soluble
211 S A -1.9328 Soluble
212 N A -2.6070 Soluble
213 T A -2.0745 Soluble
214 K A -2.6340 Soluble
215 V A -1.7033 Soluble
216 D A -2.6685 Soluble
217 K A -2.2797 Soluble
218 R A -2.9191 Soluble
219 V A 0.0000 Buried
220 E A -2.3179 Soluble
1 D B -1.8486 Soluble
2 I B 0.0000 Buried
3 V B 0.7336 Aggregation-prone
4 M B 0.0000 Buried
5 T B -0.4608 Soluble
6 Q B 0.0000 Buried
7 S B -0.2609 Soluble
8 P B 0.2472 Aggregation-prone
9 L B 1.0369 Aggregation-prone
10 S B 0.3862 Aggregation-prone
11 L B 0.0595 Aggregation-prone
12 P B -0.7362 Soluble
13 V B 0.0000 Buried
14 T B -1.5200 Soluble
15 P B -1.9284 Soluble
16 G B -1.8301 Soluble
17 E B -2.2137 Soluble
18 P B -2.1026 Soluble
19 A B 0.0000 Buried
20 S B -0.8546 Soluble
21 I B 0.0000 Buried
22 S B -1.0066 Soluble
23 C B 0.0000 Buried
24 R B -2.2235 Soluble
25 S B 0.0000 Buried
26 S B -0.9195 Soluble
27 Q B -1.5134 Soluble
28 S B -0.8371 Soluble
29 L B 0.0000 Buried
30 L B 1.5283 Aggregation-prone
31 Y B 2.1568 Aggregation-prone
32 S B 1.7996 Aggregation-prone
34 I B 2.3235 Aggregation-prone
35 G B 1.0571 Aggregation-prone
36 Y B 1.6063 Aggregation-prone
37 N B 0.9576 Aggregation-prone
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 -0.6726 Soluble
45 K B -1.3022 Soluble
46 S B -1.1689 Soluble
47 G B -1.5189 Soluble
48 Q B -1.9991 Soluble
49 S B -1.3163 Soluble
50 P B 0.0000 Buried
51 Q B -0.9617 Soluble
52 L B 0.0000 Buried
53 L B 0.0000 Buried
54 I B 0.0000 Buried
55 Y B -0.2434 Soluble
56 L B 0.0000 Buried
57 G B 0.0000 Buried
65 S B -0.9339 Soluble
66 N B -1.2338 Soluble
67 R B -1.9024 Soluble
68 A B -1.0188 Soluble
69 S B -0.8321 Soluble
70 G B -0.9008 Soluble
71 V B -0.9721 Soluble
72 P B -1.3281 Soluble
74 D B -2.4107 Soluble
75 R B -2.2321 Soluble
76 F B 0.0000 Buried
77 S B -1.5656 Soluble
78 G B 0.0000 Buried
79 S B -1.0973 Soluble
80 G B -1.1949 Soluble
83 S B -0.7803 Soluble
84 G B -0.7589 Soluble
85 T B -1.8092 Soluble
86 D B -2.7523 Soluble
87 F B 0.0000 Buried
88 T B -1.2860 Soluble
89 L B 0.0000 Buried
90 K B -2.0550 Soluble
91 I B 0.0000 Buried
92 S B -2.3436 Soluble
93 R B -3.2052 Soluble
94 V B 0.0000 Buried
95 E B -2.5487 Soluble
96 A B -2.3121 Soluble
97 E B -2.8220 Soluble
98 D B 0.0000 Buried
99 V B 0.0000 Buried
100 G B 0.0000 Buried
101 F B 0.4711 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 0.0145 Aggregation-prone
109 Q B -1.2974 Soluble
114 T B -0.7298 Soluble
115 P B -1.0004 Soluble
116 Y B 0.0000 Buried
117 T B -0.3454 Soluble
118 F B -0.0500 Soluble
119 G B 0.0000 Buried
120 Q B -1.0552 Soluble
121 G B 0.0000 Buried
122 T B 0.0000 Buried
123 K B 0.0272 Aggregation-prone
124 L B 0.0000 Buried
125 E B -0.7929 Soluble
126 I B 0.0000 Buried
127 K B -1.3258 Soluble
128 R B -0.9687 Soluble
129 T B 0.2435 Aggregation-prone
130 V B 1.2295 Aggregation-prone
131 A B 0.6440 Aggregation-prone
132 A B 0.3677 Aggregation-prone
133 P B 0.0920 Aggregation-prone
134 S B -0.0770 Soluble
135 V B 0.0908 Aggregation-prone
136 F B 0.1578 Aggregation-prone
137 I B 0.0836 Aggregation-prone
138 F B 0.0000 Buried
139 P B -0.4540 Soluble
140 P B 0.0000 Buried
141 S B -1.7530 Soluble
142 D B -3.0983 Soluble
143 E B -3.2676 Soluble
144 Q B 0.0000 Buried
145 L B -2.3592 Soluble
146 K B -2.9493 Soluble
147 S B -1.8276 Soluble
148 G B -1.2955 Soluble
149 T B -0.9298 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 -0.2778 Soluble
158 N B -0.5725 Soluble
159 F B 0.0000 Buried
160 Y B 0.0000 Buried
161 P B -1.3401 Soluble
162 R B -2.8145 Soluble
163 E B -3.2025 Soluble
164 A B -2.2559 Soluble
165 K B -2.2419 Soluble
166 V B -0.8823 Soluble
167 Q B 0.0000 Buried
168 W B 0.0000 Buried
169 K B -0.4316 Soluble
170 V B 0.0000 Buried
171 D B -2.0055 Soluble
172 N B -1.5429 Soluble
173 A B -0.2596 Soluble
174 L B 0.8087 Aggregation-prone
175 Q B 0.0041 Aggregation-prone
176 S B -0.3409 Soluble
177 G B -0.9013 Soluble
178 N B -0.8379 Soluble
179 S B -1.0999 Soluble
180 Q B -1.3887 Soluble
181 E B -1.9781 Soluble
182 S B -0.9938 Soluble
183 V B -0.6929 Soluble
184 T B -0.7407 Soluble
185 E B -1.2823 Soluble
186 Q B 0.0000 Buried
187 D B -1.8884 Soluble
188 S B -2.3743 Soluble
189 K B -2.7228 Soluble
190 D B -1.8404 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 -0.6577 Soluble
199 L B 0.0000 Buried
200 T B -0.4708 Soluble
201 L B -0.7224 Soluble
202 S B -1.2600 Soluble
203 K B -2.0465 Soluble
204 A B -1.8706 Soluble
205 D B -2.5442 Soluble
206 Y B 0.0000 Buried
207 E B -3.2483 Soluble
208 K B -3.5251 Soluble
209 H B -2.9711 Soluble
210 K B -3.0909 Soluble
211 V B -1.6192 Soluble
212 Y B 0.0000 Buried
213 A B 0.0000 Buried
214 C B 0.0000 Buried
215 E B -0.4180 Soluble
216 V B 0.0000 Buried
217 T B -1.0359 Soluble
218 Q B -1.2225 Soluble
219 G B -1.1235 Soluble
220 T B -0.4453 Soluble
221 T B -0.2876 Soluble
222 S B -0.3614 Soluble
223 V B 0.1709 Aggregation-prone
224 T B -0.2670 Soluble
225 K B -0.5937 Soluble
226 S B -0.4973 Soluble
227 F B -0.8263 Soluble
228 N B -1.8614 Soluble
229 R B -2.5687 Soluble
230 G B -2.2950 Soluble
231 E B -2.4845 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 -0.7149 3.1829 CSV PDB
4.5 -0.763 3.1829 CSV PDB
5.0 -0.8194 3.1829 CSV PDB
5.5 -0.8743 3.1829 CSV PDB
6.0 -0.9164 3.1829 CSV PDB
6.5 -0.9368 3.1829 CSV PDB
7.0 -0.9351 3.1829 CSV PDB
7.5 -0.919 3.1829 CSV PDB
8.0 -0.8946 3.1827 CSV PDB
8.5 -0.8638 3.1822 CSV PDB
9.0 -0.8258 3.1807 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH