Dupilumab / 6wgl

A4DAB093_6wgl_A_B | Source PDB: 6wgl | Chains: A, B | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6861
Max Score
2.2515
Min Score
-3.6765
Total Score
-300.53
Score CDR
-0.1186
Score non-CDR
-0.771

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLEQPGGSLRLSCAGSGFTFRDYAMTWVRQAPGKGLEWVSSISGSGGNTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAKDRLSITIRPRYYGLDVWGQGTTVTVSSASTKGPSVFPLAPCSRSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVEDIVMTQSPLSLPVTPGEPASISCRSSQSLLYSIGYNYLDWYLQKSGQSPQLLIYLGSNRASGVPDRFSGSGSGTDFTLKISRVEAEDVGFYYCMQALQTPYTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTQGTTSVTKSFNRGE 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 -3.6765
Maximum Score 2.2515
Average Score -0.6861
Total Score -300.5284

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

Index Residue Chain A4D Score Classification
1 E A -1.7455 Soluble
2 V A -0.6132 Soluble
3 Q A -0.8470 Soluble
4 L A 0.0000 Buried
5 V A 0.7547 Aggregation-prone
6 E A 0.0000 Buried
7 S A -0.7132 Soluble
8 G A -1.1757 Soluble
9 G A -0.8928 Soluble
11 G A -0.7090 Soluble
12 L A -0.3706 Soluble
13 E A -1.2607 Soluble
14 Q A -1.9250 Soluble
15 P A -1.8388 Soluble
16 G A -1.5374 Soluble
17 G A -1.2862 Soluble
18 S A -1.2011 Soluble
19 L A -1.2396 Soluble
20 R A -2.0541 Soluble
21 L A 0.0000 Buried
22 S A -0.4461 Soluble
23 C A 0.0000 Buried
24 A A -0.1722 Soluble
25 G A -0.3704 Soluble
26 S A -0.5925 Soluble
27 G A -0.7214 Soluble
28 F A -0.2500 Soluble
29 T A -0.6214 Soluble
30 F A 0.0000 Buried
35 R A -1.6674 Soluble
36 D A -0.4437 Soluble
37 Y A -0.3394 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 -0.8124 Soluble
44 Q A -1.0716 Soluble
45 A A -1.3452 Soluble
46 P A -1.0350 Soluble
47 G A -1.4887 Soluble
48 K A -2.5053 Soluble
49 G A -1.7781 Soluble
50 L A 0.0000 Buried
51 E A -1.7101 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 -0.7489 Soluble
58 G A 0.0000 Buried
59 S A -0.9616 Soluble
62 G A -1.2840 Soluble
63 G A -1.2739 Soluble
64 N A -1.4741 Soluble
65 T A -0.4401 Soluble
66 Y A 0.0590 Aggregation-prone
67 Y A -0.5024 Soluble
68 A A -1.3378 Soluble
69 D A -2.4483 Soluble
70 S A -1.6444 Soluble
71 V A 0.0000 Buried
72 K A -2.5645 Soluble
74 G A -1.7770 Soluble
75 R A -1.5470 Soluble
76 F A 0.0000 Buried
77 T A -0.7467 Soluble
78 I A 0.0000 Buried
79 S A -0.3647 Soluble
80 R A -1.1130 Soluble
81 D A -1.6595 Soluble
82 N A -2.0522 Soluble
83 S A -1.7633 Soluble
84 K A -2.3296 Soluble
85 N A -2.0097 Soluble
86 T A -1.1381 Soluble
87 L A 0.0000 Buried
88 Y A -0.5579 Soluble
89 L A 0.0000 Buried
90 Q A -1.1395 Soluble
91 M A 0.0000 Buried
92 N A -1.3109 Soluble
93 S A -1.2674 Soluble
94 L A 0.0000 Buried
95 R A -2.4801 Soluble
96 A A -1.8739 Soluble
97 E A -2.2533 Soluble
98 D A 0.0000 Buried
99 T A -0.9026 Soluble
100 A A 0.0000 Buried
101 V A 0.1125 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 -0.2547 Soluble
107 D A 0.0000 Buried
108 R A -0.4751 Soluble
109 L A 0.0000 Buried
110 S A 0.0768 Aggregation-prone
111 I A 1.1098 Aggregation-prone
111A T A 0.9167 Aggregation-prone
111B I A 1.3814 Aggregation-prone
112C R A -0.7539 Soluble
112B P A -0.7428 Soluble
112A R A -0.9255 Soluble
112 Y A 0.0000 Buried
113 Y A 0.0650 Aggregation-prone
114 G A 0.0000 Buried
115 L A 0.0000 Buried
116 D A -0.7748 Soluble
117 V A -0.4792 Soluble
118 W A -0.3826 Soluble
119 G A 0.0000 Buried
120 Q A -1.1950 Soluble
121 G A -0.5402 Soluble
122 T A -0.4412 Soluble
123 T A 0.0000 Buried
124 V A 0.0000 Buried
125 T A 0.0000 Buried
126 V A 0.0000 Buried
127 S A -0.9082 Soluble
128 S A -0.6902 Soluble
129 A A -0.5571 Soluble
130 S A -0.7441 Soluble
131 T A -0.8899 Soluble
132 K A -1.6351 Soluble
133 G A -1.6031 Soluble
134 P A -0.7527 Soluble
135 S A -0.3439 Soluble
136 V A 0.0000 Buried
137 F A -0.5981 Soluble
138 P A -1.0435 Soluble
139 L A 0.0000 Buried
140 A A -0.4961 Soluble
141 P A -0.5226 Soluble
142 C A -1.0013 Soluble
143 S A -1.4298 Soluble
144 R A -2.5409 Soluble
145 S A -1.4790 Soluble
146 E A -2.2437 Soluble
147 S A -1.2375 Soluble
148 T A -0.7839 Soluble
149 A A -0.5277 Soluble
150 A A 0.0000 Buried
151 L A 0.0000 Buried
152 G A 0.0000 Buried
153 C A 0.0000 Buried
154 L A 0.0000 Buried
155 V A 0.0000 Buried
156 K A 0.0000 Buried
157 D A -0.5917 Soluble
158 Y A 0.0000 Buried
159 F A -0.4032 Soluble
160 P A 0.0000 Buried
161 E A -0.3840 Soluble
162 P A -0.4943 Soluble
163 V A -0.5016 Soluble
164 T A -0.4793 Soluble
165 V A -0.0253 Soluble
166 S A -0.3396 Soluble
167 W A 0.0000 Buried
168 N A -0.8683 Soluble
169 S A -0.6922 Soluble
170 G A -0.5406 Soluble
171 A A -0.2282 Soluble
172 L A 0.0123 Aggregation-prone
173 T A -0.1139 Soluble
174 S A -0.1197 Soluble
175 G A -0.0949 Soluble
176 V A 0.2706 Aggregation-prone
177 H A -0.0533 Soluble
178 T A 0.0235 Aggregation-prone
179 F A 0.0000 Buried
180 P A -0.4673 Soluble
181 A A 0.2349 Aggregation-prone
182 V A 0.5352 Aggregation-prone
183 L A 1.4004 Aggregation-prone
184 Q A 0.3105 Aggregation-prone
185 S A -0.0388 Soluble
186 S A -0.2622 Soluble
187 G A -0.0383 Soluble
188 L A 0.1116 Aggregation-prone
189 Y A 0.4275 Aggregation-prone
190 S A 0.2650 Aggregation-prone
191 L A 0.0000 Buried
192 S A 0.0000 Buried
193 S A 0.0000 Buried
194 V A 0.0000 Buried
195 V A 0.0000 Buried
196 T A -0.0820 Soluble
197 V A 0.0000 Buried
198 P A -0.4908 Soluble
199 S A -0.6776 Soluble
200 S A -0.6605 Soluble
201 S A -0.5535 Soluble
202 L A -0.4506 Soluble
203 G A -0.7053 Soluble
204 T A -0.9660 Soluble
205 K A -1.7168 Soluble
206 T A -1.5037 Soluble
207 Y A 0.0000 Buried
208 T A 0.0000 Buried
209 C A 0.0000 Buried
210 N A 0.0000 Buried
211 V A 0.0000 Buried
212 D A -1.7091 Soluble
213 H A 0.0000 Buried
214 K A -2.7660 Soluble
215 P A -1.5861 Soluble
216 S A -1.8536 Soluble
217 N A -2.4810 Soluble
218 T A -2.0882 Soluble
219 K A -2.6424 Soluble
220 V A -1.5122 Soluble
221 D A -2.6829 Soluble
222 K A -2.2633 Soluble
223 R A -2.8896 Soluble
224 V A 0.0000 Buried
225 E A -2.2296 Soluble
1 D B -1.7484 Soluble
2 I B 0.0000 Buried
3 V B 0.8355 Aggregation-prone
4 M B 0.0000 Buried
5 T B -0.6091 Soluble
6 Q B 0.0000 Buried
7 S B -0.4567 Soluble
8 P B -0.2139 Soluble
9 L B 0.1237 Aggregation-prone
10 S B -0.3274 Soluble
11 L B 0.0000 Buried
12 P B -0.9014 Soluble
13 V B -1.0945 Soluble
14 T B -1.7421 Soluble
15 P B -1.9572 Soluble
16 G B -2.0748 Soluble
17 E B -2.7185 Soluble
18 P B -2.2079 Soluble
19 A B 0.0000 Buried
20 S B -0.7530 Soluble
21 I B 0.0000 Buried
22 S B -0.9655 Soluble
23 C B 0.0000 Buried
24 R B -1.9865 Soluble
25 S B 0.0000 Buried
26 S B -0.9168 Soluble
27 Q B -1.5700 Soluble
28 S B -0.7519 Soluble
29 L B 0.0000 Buried
30 L B 1.4581 Aggregation-prone
31 Y B 2.0816 Aggregation-prone
32 S B 1.7047 Aggregation-prone
34 I B 2.2515 Aggregation-prone
35 G B 0.9969 Aggregation-prone
36 Y B 1.4238 Aggregation-prone
37 N B 0.0000 Buried
38 Y B 0.6750 Aggregation-prone
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 -0.3967 Soluble
44 Q B 0.0000 Buried
45 K B -1.4161 Soluble
46 S B -1.1571 Soluble
47 G B -1.5246 Soluble
48 Q B -1.9744 Soluble
49 S B -1.3566 Soluble
50 P B 0.0000 Buried
51 Q B -1.2948 Soluble
52 L B 0.0000 Buried
53 L B 0.0000 Buried
54 I B 0.0000 Buried
55 Y B -0.1569 Soluble
56 L B 0.1661 Aggregation-prone
57 G B 0.0000 Buried
65 S B -0.7756 Soluble
66 N B -1.0918 Soluble
67 R B -1.8062 Soluble
68 A B -1.0732 Soluble
69 S B -0.8818 Soluble
70 G B -0.9949 Soluble
71 V B -1.1075 Soluble
72 P B -1.3362 Soluble
74 D B -2.2084 Soluble
75 R B -1.9471 Soluble
76 F B 0.0000 Buried
77 S B -1.3432 Soluble
78 G B -0.8303 Soluble
79 S B -0.7680 Soluble
80 G B -1.0564 Soluble
83 S B -0.6243 Soluble
84 G B -0.7216 Soluble
85 T B -1.6360 Soluble
86 D B -2.2234 Soluble
87 F B 0.0000 Buried
88 T B -1.0231 Soluble
89 L B 0.0000 Buried
90 K B -1.6057 Soluble
91 I B 0.0000 Buried
92 S B -2.2947 Soluble
93 R B -3.1622 Soluble
94 V B 0.0000 Buried
95 E B -2.7425 Soluble
96 A B -2.4955 Soluble
97 E B -2.8422 Soluble
98 D B 0.0000 Buried
99 V B 0.0000 Buried
100 G B 0.0000 Buried
101 F B -0.2832 Soluble
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 0.1560 Aggregation-prone
109 Q B -1.3252 Soluble
114 T B -0.7430 Soluble
115 P B -1.0413 Soluble
116 Y B 0.0000 Buried
117 T B -0.3846 Soluble
118 F B -0.1135 Soluble
119 G B 0.0000 Buried
120 Q B -1.2552 Soluble
121 G B 0.0000 Buried
122 T B 0.0000 Buried
123 K B -1.0048 Soluble
124 L B 0.0000 Buried
125 E B -1.4125 Soluble
126 I B 0.0000 Buried
127 K B -1.6838 Soluble
128 R B -1.1192 Soluble
129 T B 0.1514 Aggregation-prone
130 V B 1.3666 Aggregation-prone
131 A B 0.6949 Aggregation-prone
132 A B 0.3242 Aggregation-prone
133 P B 0.1064 Aggregation-prone
134 S B -0.0885 Soluble
135 V B 0.0000 Buried
136 F B -0.1069 Soluble
137 I B 0.0000 Buried
138 F B 0.0000 Buried
139 P B -0.4939 Soluble
140 P B 0.0000 Buried
141 S B -1.3890 Soluble
142 D B -2.5994 Soluble
143 E B -2.3869 Soluble
144 Q B 0.0000 Buried
145 L B -1.7999 Soluble
146 K B -2.5035 Soluble
147 S B -1.5430 Soluble
148 G B -1.1457 Soluble
149 T B -0.7274 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 -0.5186 Soluble
159 F B 0.0000 Buried
160 Y B 0.0000 Buried
161 P B -1.4510 Soluble
162 R B -2.9726 Soluble
163 E B -3.1001 Soluble
164 A B -2.2119 Soluble
165 K B -2.2326 Soluble
166 V B -1.0330 Soluble
167 Q B -0.3895 Soluble
168 W B 0.0000 Buried
169 K B -0.4481 Soluble
170 V B 0.0000 Buried
171 D B -1.1727 Soluble
172 N B -1.1291 Soluble
173 A B -0.1384 Soluble
174 L B 0.7883 Aggregation-prone
175 Q B -0.1540 Soluble
176 S B -0.3714 Soluble
177 G B -0.9032 Soluble
178 N B -0.7951 Soluble
179 S B -1.1744 Soluble
180 Q B -1.4573 Soluble
181 E B -2.0222 Soluble
182 S B -1.0127 Soluble
183 V B -0.7672 Soluble
184 T B -0.7626 Soluble
185 E B -1.5032 Soluble
186 Q B 0.0000 Buried
187 D B -1.8865 Soluble
188 S B -2.4251 Soluble
189 K B -2.7520 Soluble
190 D B -1.9931 Soluble
191 S B 0.0000 Buried
192 T B 0.0000 Buried
193 Y B -1.0733 Soluble
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 -0.7618 Soluble
199 L B 0.0000 Buried
200 T B -0.3931 Soluble
201 L B -0.5736 Soluble
202 S B -1.1138 Soluble
203 K B -1.9621 Soluble
204 A B -1.7376 Soluble
205 D B -2.4760 Soluble
206 Y B 0.0000 Buried
207 E B -3.6765 Soluble
208 K B -3.4823 Soluble
209 H B -2.8320 Soluble
210 K B -3.2058 Soluble
211 V B -1.1081 Soluble
212 Y B 0.0000 Buried
213 A B 0.0000 Buried
214 C B 0.0000 Buried
215 E B -0.7755 Soluble
216 V B 0.0000 Buried
217 T B -0.9939 Soluble
218 Q B -1.2790 Soluble
219 G B -0.8265 Soluble
220 T B -0.4075 Soluble
221 T B -0.2488 Soluble
222 S B -0.4160 Soluble
223 V B 0.1481 Aggregation-prone
224 T B -0.4363 Soluble
225 K B -0.9306 Soluble
226 S B -0.6236 Soluble
227 F B 0.0000 Buried
228 N B -1.9708 Soluble
229 R B -2.7278 Soluble
230 G B -2.2507 Soluble
231 E B -2.9849 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 -0.7292 3.1092 CSV PDB
4.5 -0.7741 3.1092 CSV PDB
5.0 -0.8282 3.1092 CSV PDB
5.5 -0.8814 3.1092 CSV PDB
6.0 -0.9218 3.1092 CSV PDB
6.5 -0.9397 3.1092 CSV PDB
7.0 -0.934 3.1092 CSV PDB
7.5 -0.9123 3.1092 CSV PDB
8.0 -0.8818 3.1091 CSV PDB
8.5 -0.8453 3.1087 CSV PDB
9.0 -0.8028 3.1075 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH