Dupilumab / 6wgk

A4DAB093_6wgk_A_B | Source PDB: 6wgk | Chains: A, B | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6595
Max Score
2.257
Min Score
-3.6133
Total Score
-285.56
Score CDR
-0.1365
Score non-CDR
-0.7388

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLEQPGGSLRLSCAGSGFTFRDYAMTWVRQAPGKGLEWVSSISGSGGNTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAKDRLSITIRPRYYGLDVWGQGTTVTVSSASTKGPSVFPLAPESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVEDIVMTQSPLSLPVTPGEPASISCRSSQSLLYSIGYNYLDWYLQKSGQSPQLLIYLGSNRASGVPDRFSGSGSGTDFTLKISRVEAEDVGFYYCMQALQTPYTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTQGTTSVTKSFNRG 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 -3.6133
Maximum Score 2.257
Average Score -0.6595
Total Score -285.5641

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

Index Residue Chain A4D Score Classification
1 E A -2.1292 Soluble
2 V A -1.3761 Soluble
3 Q A -1.3267 Soluble
4 L A 0.0000 Buried
5 V A 1.0815 Aggregation-prone
6 E A 0.0000 Buried
7 S A -0.4066 Soluble
8 G A -0.8925 Soluble
9 G A -0.8721 Soluble
11 G A -0.7449 Soluble
12 L A -0.4743 Soluble
13 E A -1.2939 Soluble
14 Q A -1.8942 Soluble
15 P A -1.6404 Soluble
16 G A -1.5357 Soluble
17 G A -1.3082 Soluble
18 S A -1.3826 Soluble
19 L A -1.2512 Soluble
20 R A -2.1055 Soluble
21 L A 0.0000 Buried
22 S A -0.3740 Soluble
23 C A 0.0000 Buried
24 A A -0.1359 Soluble
25 G A 0.0000 Buried
26 S A -1.0061 Soluble
27 G A -1.1974 Soluble
28 F A -0.7407 Soluble
29 T A -0.7066 Soluble
30 F A 0.0000 Buried
35 R A -2.1570 Soluble
36 D A -0.4608 Soluble
37 Y A -0.2637 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 -0.9599 Soluble
45 A A -1.3181 Soluble
46 P A -1.0187 Soluble
47 G A -1.4700 Soluble
48 K A -2.3855 Soluble
49 G A -1.5072 Soluble
50 L A 0.0000 Buried
51 E A -1.3561 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 -0.7264 Soluble
58 G A 0.0000 Buried
59 S A -1.0224 Soluble
62 G A -1.4298 Soluble
63 G A -1.3140 Soluble
64 N A -1.5458 Soluble
65 T A -0.5666 Soluble
66 Y A -0.1965 Soluble
67 Y A -0.6967 Soluble
68 A A -1.5012 Soluble
69 D A -2.5782 Soluble
70 S A -1.8418 Soluble
71 V A 0.0000 Buried
72 K A -2.5318 Soluble
74 G A -1.7852 Soluble
75 R A -1.4225 Soluble
76 F A 0.0000 Buried
77 T A -0.8742 Soluble
78 I A 0.0000 Buried
79 S A -0.4270 Soluble
80 R A -1.2313 Soluble
81 D A -1.7629 Soluble
82 N A -2.2325 Soluble
83 S A -1.8263 Soluble
84 K A -2.5398 Soluble
85 N A -2.0560 Soluble
86 T A 0.0000 Buried
87 L A 0.0000 Buried
88 Y A -0.5875 Soluble
89 L A 0.0000 Buried
90 Q A -1.2901 Soluble
91 M A 0.0000 Buried
92 N A -1.5488 Soluble
93 S A -1.3279 Soluble
94 L A 0.0000 Buried
95 R A -2.4943 Soluble
96 A A -1.7554 Soluble
97 E A -2.2775 Soluble
98 D A 0.0000 Buried
99 T A -0.8601 Soluble
100 A A 0.0000 Buried
101 V A -0.0176 Soluble
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 -0.1780 Soluble
109 L A 0.0396 Aggregation-prone
110 S A 0.2566 Aggregation-prone
111 I A 1.5294 Aggregation-prone
111A T A 1.0199 Aggregation-prone
111B I A 1.4149 Aggregation-prone
112C R A -0.8337 Soluble
112B P A -0.4912 Soluble
112A R A -0.7717 Soluble
112 Y A 0.0000 Buried
113 Y A 0.2399 Aggregation-prone
114 G A 0.0000 Buried
115 L A 0.0000 Buried
116 D A -0.4512 Soluble
117 V A -0.4547 Soluble
118 W A 0.0000 Buried
119 G A 0.0000 Buried
120 Q A -1.2001 Soluble
121 G A -0.5254 Soluble
122 T A -0.2035 Soluble
123 T A -0.1469 Soluble
124 V A 0.0000 Buried
125 T A 0.0000 Buried
126 V A 0.0000 Buried
127 S A -0.9228 Soluble
128 S A -0.8306 Soluble
129 A A -0.5633 Soluble
130 S A -0.6864 Soluble
131 T A -0.6883 Soluble
132 K A -1.2696 Soluble
133 G A -1.3599 Soluble
134 P A -0.5722 Soluble
135 S A -0.3925 Soluble
136 V A 0.0000 Buried
137 F A 0.0000 Buried
138 P A -1.1559 Soluble
139 L A 0.0000 Buried
140 A A -0.7476 Soluble
141 P A -0.4292 Soluble
142 E A -1.9982 Soluble
143 S A -1.2535 Soluble
144 T A -0.9084 Soluble
145 A A -0.4903 Soluble
146 A A 0.0000 Buried
147 L A 0.0000 Buried
148 G A 0.0000 Buried
149 C A 0.0000 Buried
150 L A 0.0000 Buried
151 V A 0.0000 Buried
152 K A 0.0000 Buried
153 D A -0.4454 Soluble
154 Y A 0.0000 Buried
155 F A 0.0000 Buried
156 P A 0.0000 Buried
157 E A -0.3096 Soluble
158 P A -0.5436 Soluble
159 V A -0.4876 Soluble
160 T A -0.4129 Soluble
161 V A -0.0882 Soluble
162 S A -0.3849 Soluble
163 W A 0.0000 Buried
164 N A -0.8531 Soluble
165 S A -0.7162 Soluble
166 G A -0.5367 Soluble
167 A A -0.1971 Soluble
168 L A 0.0255 Aggregation-prone
169 T A -0.1159 Soluble
170 S A -0.1411 Soluble
171 G A -0.2105 Soluble
172 V A 0.2572 Aggregation-prone
173 H A -0.1569 Soluble
174 T A -0.0333 Soluble
175 F A 0.0000 Buried
176 P A -0.2818 Soluble
177 A A 0.2028 Aggregation-prone
178 V A 0.4398 Aggregation-prone
179 L A 1.1582 Aggregation-prone
180 Q A 0.2730 Aggregation-prone
181 S A -0.1105 Soluble
182 S A -0.2306 Soluble
183 G A 0.0016 Aggregation-prone
184 L A 0.1362 Aggregation-prone
185 Y A 0.4368 Aggregation-prone
186 S A 0.0000 Buried
187 L A 0.0000 Buried
188 S A 0.0000 Buried
189 S A 0.0000 Buried
190 V A 0.0000 Buried
191 V A 0.0000 Buried
192 T A -0.1241 Soluble
193 V A 0.0000 Buried
194 P A -0.5472 Soluble
195 S A -0.6264 Soluble
196 S A -0.5164 Soluble
197 S A -0.5893 Soluble
198 L A -0.5677 Soluble
199 G A -0.9013 Soluble
200 T A -0.9007 Soluble
201 K A -1.5377 Soluble
202 T A -1.4751 Soluble
203 Y A 0.0000 Buried
204 T A -1.7671 Soluble
205 C A 0.0000 Buried
206 N A -1.5241 Soluble
207 V A 0.0000 Buried
208 D A 0.0000 Buried
209 H A 0.0000 Buried
210 K A -2.6375 Soluble
211 P A -1.5500 Soluble
212 S A -1.7892 Soluble
213 N A -2.4821 Soluble
214 T A -2.1614 Soluble
215 K A -2.5944 Soluble
216 V A -1.7643 Soluble
217 D A -2.6578 Soluble
218 K A -2.2677 Soluble
219 R A -2.9166 Soluble
220 V A 0.0000 Buried
221 E A -2.3602 Soluble
1 D B -1.8742 Soluble
2 I B 0.0000 Buried
3 V B 0.8058 Aggregation-prone
4 M B 0.0000 Buried
5 T B -0.5115 Soluble
6 Q B 0.0000 Buried
7 S B -0.2747 Soluble
8 P B 0.2830 Aggregation-prone
9 L B 1.1893 Aggregation-prone
10 S B 0.4878 Aggregation-prone
11 L B 0.0976 Aggregation-prone
12 P B -0.7749 Soluble
13 V B 0.0000 Buried
14 T B -1.6980 Soluble
15 P B -2.0967 Soluble
16 G B -2.1043 Soluble
17 E B -2.5228 Soluble
18 P B -2.1414 Soluble
19 A B 0.0000 Buried
20 S B -0.6909 Soluble
21 I B 0.0000 Buried
22 S B -1.0123 Soluble
23 C B 0.0000 Buried
24 R B -2.4818 Soluble
25 S B 0.0000 Buried
26 S B -0.9837 Soluble
27 Q B -1.5703 Soluble
28 S B -0.8365 Soluble
29 L B 0.0000 Buried
30 L B 1.5609 Aggregation-prone
31 Y B 1.9600 Aggregation-prone
32 S B 1.6849 Aggregation-prone
34 I B 2.2570 Aggregation-prone
35 G B 0.9999 Aggregation-prone
36 Y B 1.4540 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 -0.1427 Soluble
44 Q B -0.5576 Soluble
45 K B -1.1591 Soluble
46 S B -1.1039 Soluble
47 G B -1.4953 Soluble
48 Q B -1.9920 Soluble
49 S B -1.3373 Soluble
50 P B 0.0000 Buried
51 Q B -1.1157 Soluble
52 L B 0.0000 Buried
53 L B 0.0000 Buried
54 I B 0.0000 Buried
55 Y B -0.2591 Soluble
56 L B 0.0000 Buried
57 G B 0.0000 Buried
65 S B -0.9913 Soluble
66 N B -1.4141 Soluble
67 R B -2.0175 Soluble
68 A B -1.0567 Soluble
69 S B -0.8448 Soluble
70 G B -0.9120 Soluble
71 V B -0.9972 Soluble
72 P B -1.3282 Soluble
74 D B -2.2244 Soluble
75 R B -1.9928 Soluble
76 F B 0.0000 Buried
77 S B -1.3244 Soluble
78 G B 0.0000 Buried
79 S B -0.8914 Soluble
80 G B -1.3090 Soluble
83 S B -0.8167 Soluble
84 G B -0.8180 Soluble
85 T B -1.8991 Soluble
86 D B -2.8416 Soluble
87 F B 0.0000 Buried
88 T B -1.1585 Soluble
89 L B 0.0000 Buried
90 K B -1.4002 Soluble
91 I B 0.0000 Buried
92 S B -2.2158 Soluble
93 R B -3.0985 Soluble
94 V B 0.0000 Buried
95 E B -2.6706 Soluble
96 A B -2.2980 Soluble
97 E B -2.5174 Soluble
98 D B 0.0000 Buried
99 V B 0.0000 Buried
100 G B 0.0000 Buried
101 F B 0.7888 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 -0.0637 Soluble
109 Q B -1.2573 Soluble
114 T B -0.7786 Soluble
115 P B -1.0539 Soluble
116 Y B 0.0000 Buried
117 T B -0.3335 Soluble
118 F B 0.0101 Aggregation-prone
119 G B 0.0000 Buried
120 Q B -0.9377 Soluble
121 G B 0.0000 Buried
122 T B 0.0000 Buried
123 K B 0.0000 Buried
124 L B 0.0000 Buried
125 E B -0.8200 Soluble
126 I B 0.0000 Buried
127 K B -1.4711 Soluble
128 R B -1.0569 Soluble
129 T B 0.1995 Aggregation-prone
130 V B 1.2198 Aggregation-prone
131 A B 0.6297 Aggregation-prone
132 A B 0.3706 Aggregation-prone
133 P B 0.0838 Aggregation-prone
134 S B -0.2697 Soluble
135 V B 0.0587 Aggregation-prone
136 F B 0.1201 Aggregation-prone
137 I B 0.1314 Aggregation-prone
138 F B 0.0000 Buried
139 P B -0.5875 Soluble
140 P B 0.0000 Buried
141 S B -1.4591 Soluble
142 D B -2.6850 Soluble
143 E B -2.4329 Soluble
144 Q B 0.0000 Buried
145 L B -2.0565 Soluble
146 K B -2.6133 Soluble
147 S B -1.6187 Soluble
148 G B -1.0178 Soluble
149 T B -0.8069 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 -0.8398 Soluble
159 F B 0.0000 Buried
160 Y B 0.0000 Buried
161 P B -1.4107 Soluble
162 R B -2.8456 Soluble
163 E B -3.1956 Soluble
164 A B -2.2848 Soluble
165 K B -2.3534 Soluble
166 V B -1.0045 Soluble
167 Q B -0.3633 Soluble
168 W B 0.0000 Buried
169 K B -0.3009 Soluble
170 V B 0.0000 Buried
171 D B -1.5692 Soluble
172 N B -1.2801 Soluble
173 A B -0.0872 Soluble
174 L B 0.8919 Aggregation-prone
175 Q B -0.0001 Buried
176 S B -0.3441 Soluble
177 G B -0.8854 Soluble
178 N B -0.8202 Soluble
179 S B -1.1012 Soluble
180 Q B -1.3630 Soluble
181 E B -1.9750 Soluble
182 S B -0.9759 Soluble
183 V B -0.6904 Soluble
184 T B -0.6881 Soluble
185 E B -1.2275 Soluble
186 Q B 0.0000 Buried
187 D B -1.8902 Soluble
188 S B -2.2642 Soluble
189 K B -2.6704 Soluble
190 D B -1.8274 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 -0.6525 Soluble
199 L B 0.0000 Buried
200 T B -0.4376 Soluble
201 L B -0.6740 Soluble
202 S B -1.1944 Soluble
203 K B -1.9475 Soluble
204 A B -1.8529 Soluble
205 D B -2.5163 Soluble
206 Y B 0.0000 Buried
207 E B -3.5537 Soluble
208 K B -3.6133 Soluble
209 H B -3.0182 Soluble
210 K B -3.1399 Soluble
211 V B -1.4846 Soluble
212 Y B 0.0000 Buried
213 A B 0.0000 Buried
214 C B 0.0000 Buried
215 E B -0.7278 Soluble
216 V B 0.0000 Buried
217 T B -1.0655 Soluble
218 Q B -1.1720 Soluble
219 G B -1.0942 Soluble
220 T B -0.4347 Soluble
221 T B -0.2628 Soluble
222 S B -0.3620 Soluble
223 V B 0.1903 Aggregation-prone
224 T B -0.3248 Soluble
225 K B -0.6877 Soluble
226 S B -0.7071 Soluble
227 F B -0.9343 Soluble
228 N B -2.1013 Soluble
229 R B -2.4752 Soluble
230 G B -1.7652 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
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Downloads
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 -0.67 2.9325 CSV PDB
4.5 -0.7129 2.9325 CSV PDB
5.0 -0.764 2.9325 CSV PDB
5.5 -0.8145 2.9325 CSV PDB
6.0 -0.8543 2.9325 CSV PDB
6.5 -0.8747 2.9325 CSV PDB
7.0 -0.8741 2.9325 CSV PDB
7.5 -0.8587 2.9325 CSV PDB
8.0 -0.8346 2.9323 CSV PDB
8.5 -0.8039 2.9319 CSV PDB
9.0 -0.7665 2.9304 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH