Dupilumab / 6wgj

A4DAB093_6wgj_E_F | Source PDB: 6wgj | Chains: E, F | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6765
Max Score
2.3267
Min Score
-3.292
Total Score
-286.82
Score CDR
-0.1162
Score non-CDR
-0.7635

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLEQPGGSLRLSCAGSGFTFRDYAMTWVRQAPGKGLEWVSSISGSGGNTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAKDRLSITIRPRYYGLDVWGQGTTVTVSSASTKGPSVFPLAPTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSKTYTCNVDHKPSNTKVDKRVEDIVMTQSPLSLPVTPGEPASISCRSSQSLLYSIGYNYLDWYLQKSGQSPQLLIYLGSNRASGVPDRFSGSGSGTDFTLKISRVEAEDVGFYYCMQALQTPYTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYHKVYACEVTQGTTSVTKSFNRG input.pdb
Selected Chain(s) E (Heavy), F (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 -3.292
Maximum Score 2.3267
Average Score -0.6765
Total Score -286.821

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

Index Residue Chain A4D Score Classification
1 E E -1.8279 Soluble
2 V E -0.7260 Soluble
3 Q E -0.6043 Soluble
4 L E 0.0000 Buried
5 V E 1.1049 Aggregation-prone
6 E E 0.0000 Buried
7 S E -0.4303 Soluble
8 G E -0.8935 Soluble
9 G E -0.8320 Soluble
11 G E -0.7342 Soluble
12 L E -0.4258 Soluble
13 E E -1.2539 Soluble
14 Q E -1.9163 Soluble
15 P E -1.8879 Soluble
16 G E -1.5203 Soluble
17 G E -1.3289 Soluble
18 S E -1.3600 Soluble
19 L E -1.2006 Soluble
20 R E -1.9315 Soluble
21 L E 0.0000 Buried
22 S E -0.3984 Soluble
23 C E 0.0000 Buried
24 A E -0.0940 Soluble
25 G E -0.4729 Soluble
26 S E -0.5823 Soluble
27 G E -0.9634 Soluble
28 F E -0.5735 Soluble
29 T E -0.6731 Soluble
30 F E 0.0000 Buried
35 R E -2.1578 Soluble
36 D E -0.3923 Soluble
37 Y E -0.2863 Soluble
38 A E 0.0000 Buried
39 M E 0.0000 Buried
40 T E 0.0000 Buried
41 W E 0.0000 Buried
42 V E 0.0000 Buried
43 R E 0.0000 Buried
44 Q E -0.9670 Soluble
45 A E -1.3127 Soluble
46 P E -1.0910 Soluble
47 G E -1.4878 Soluble
48 K E -2.4433 Soluble
49 G E -1.6528 Soluble
50 L E 0.0000 Buried
51 E E -1.2504 Soluble
52 W E 0.0000 Buried
53 V E 0.0000 Buried
54 S E 0.0000 Buried
55 S E 0.0000 Buried
56 I E 0.0000 Buried
57 S E -0.7100 Soluble
58 G E 0.0000 Buried
59 S E -1.0757 Soluble
62 G E -1.3396 Soluble
63 G E -1.2579 Soluble
64 N E -1.4846 Soluble
65 T E -0.4644 Soluble
66 Y E -0.0175 Soluble
67 Y E -0.6047 Soluble
68 A E 0.0000 Buried
69 D E -2.5378 Soluble
70 S E -1.6996 Soluble
71 V E 0.0000 Buried
72 K E -2.4780 Soluble
74 G E -1.7319 Soluble
75 R E -1.4052 Soluble
76 F E 0.0000 Buried
77 T E -0.7661 Soluble
78 I E 0.0000 Buried
79 S E -0.6696 Soluble
80 R E -1.3777 Soluble
81 D E -2.1000 Soluble
82 N E -2.3269 Soluble
83 S E -1.9091 Soluble
84 K E -2.6302 Soluble
85 N E -2.1799 Soluble
86 T E -1.3006 Soluble
87 L E 0.0000 Buried
88 Y E 0.0000 Buried
89 L E 0.0000 Buried
90 Q E -1.1532 Soluble
91 M E 0.0000 Buried
92 N E -1.5076 Soluble
93 S E -1.3208 Soluble
94 L E 0.0000 Buried
95 R E -2.2910 Soluble
96 A E -1.7286 Soluble
97 E E -2.1982 Soluble
98 D E 0.0000 Buried
99 T E -0.8322 Soluble
100 A E 0.0000 Buried
101 V E 0.0017 Aggregation-prone
102 Y E 0.0000 Buried
103 Y E 0.0000 Buried
104 C E 0.0000 Buried
105 A E 0.0000 Buried
106 K E 0.0000 Buried
107 D E 0.0000 Buried
108 R E -0.2795 Soluble
109 L E -0.0250 Soluble
110 S E 0.1557 Aggregation-prone
111 I E 1.5444 Aggregation-prone
111A T E 0.9215 Aggregation-prone
111B I E 1.2869 Aggregation-prone
112C R E -0.9679 Soluble
112B P E -0.8187 Soluble
112A R E -1.4606 Soluble
112 Y E 0.0000 Buried
113 Y E 0.3724 Aggregation-prone
114 G E 0.0000 Buried
115 L E 0.0000 Buried
116 D E -0.2026 Soluble
117 V E -0.0642 Soluble
118 W E 0.0000 Buried
119 G E 0.0000 Buried
120 Q E -1.1522 Soluble
121 G E 0.0000 Buried
122 T E -0.2023 Soluble
123 T E -0.3433 Soluble
124 V E 0.0000 Buried
125 T E -0.7232 Soluble
126 V E 0.0000 Buried
127 S E -1.0875 Soluble
128 S E -0.7823 Soluble
129 A E -0.5199 Soluble
130 S E -0.7057 Soluble
131 T E -0.9173 Soluble
132 K E -1.3380 Soluble
133 G E -1.5010 Soluble
134 P E 0.0000 Buried
135 S E -0.3365 Soluble
136 V E 0.0000 Buried
137 F E -0.6216 Soluble
138 P E -1.0841 Soluble
139 L E 0.0000 Buried
140 A E -0.4503 Soluble
141 P E -0.3373 Soluble
142 T E -0.2297 Soluble
143 A E -0.1191 Soluble
144 A E 0.0000 Buried
145 L E -0.0647 Soluble
146 G E 0.0000 Buried
147 C E 0.0000 Buried
148 L E 0.0000 Buried
149 V E 0.0000 Buried
150 K E 0.0000 Buried
151 D E -0.5075 Soluble
152 Y E 0.0000 Buried
153 F E -0.3662 Soluble
154 P E 0.0000 Buried
155 E E -0.6065 Soluble
156 P E -0.7434 Soluble
157 V E -0.6819 Soluble
158 T E -0.5347 Soluble
159 V E -0.3423 Soluble
160 S E -0.4272 Soluble
161 W E 0.0000 Buried
162 N E -0.8424 Soluble
163 S E -0.7022 Soluble
164 G E -0.5503 Soluble
165 A E -0.2355 Soluble
166 L E -0.0246 Soluble
167 T E -0.1280 Soluble
168 S E -0.1669 Soluble
169 G E -0.1731 Soluble
170 V E 0.1933 Aggregation-prone
171 H E -0.2787 Soluble
172 T E 0.0125 Aggregation-prone
173 F E 0.0000 Buried
174 P E -0.3806 Soluble
175 A E 0.0085 Aggregation-prone
176 V E 0.2585 Aggregation-prone
177 L E 1.0073 Aggregation-prone
178 Q E 0.1701 Aggregation-prone
179 S E -0.0865 Soluble
180 S E -0.2495 Soluble
181 G E 0.0131 Aggregation-prone
182 L E 0.0264 Aggregation-prone
183 Y E 0.3374 Aggregation-prone
184 S E 0.1644 Aggregation-prone
185 L E 0.0000 Buried
186 S E 0.0000 Buried
187 S E 0.0000 Buried
188 V E 0.0000 Buried
189 V E 0.0000 Buried
190 T E -0.1268 Soluble
191 V E 0.0000 Buried
192 P E -0.3840 Soluble
193 S E -0.6341 Soluble
194 K E -1.7286 Soluble
195 T E -1.5293 Soluble
196 Y E -1.2894 Soluble
197 T E -1.8014 Soluble
198 C E 0.0000 Buried
199 N E 0.0000 Buried
200 V E 0.0000 Buried
201 D E -1.7860 Soluble
202 H E 0.0000 Buried
203 K E -2.7636 Soluble
204 P E -1.6084 Soluble
205 S E -1.8462 Soluble
206 N E -2.4550 Soluble
207 T E -2.0911 Soluble
208 K E -2.6133 Soluble
209 V E -1.4636 Soluble
210 D E -2.6278 Soluble
211 K E -2.1635 Soluble
212 R E -2.8720 Soluble
213 V E 0.0000 Buried
214 E E -2.3494 Soluble
1 D F -1.8867 Soluble
2 I F 0.0000 Buried
3 V F 0.7719 Aggregation-prone
4 M F 0.0000 Buried
5 T F -0.7528 Soluble
6 Q F 0.0000 Buried
7 S F -0.2629 Soluble
8 P F 0.1903 Aggregation-prone
9 L F 1.0016 Aggregation-prone
10 S F 0.2751 Aggregation-prone
11 L F -0.0742 Soluble
12 P F -0.8311 Soluble
13 V F 0.0000 Buried
14 T F -1.5545 Soluble
15 P F -1.8726 Soluble
16 G F -1.8357 Soluble
17 E F -2.2746 Soluble
18 P F -2.0777 Soluble
19 A F -1.2014 Soluble
20 S F -0.7092 Soluble
21 I F 0.0000 Buried
22 S F -1.1077 Soluble
23 C F 0.0000 Buried
24 R F -2.5710 Soluble
25 S F -1.2955 Soluble
26 S F -1.0415 Soluble
27 Q F -1.6523 Soluble
28 S F -0.9876 Soluble
29 L F 0.0000 Buried
30 L F 1.5231 Aggregation-prone
31 Y F 2.0942 Aggregation-prone
32 S F 1.7130 Aggregation-prone
34 I F 2.3267 Aggregation-prone
35 G F 1.0509 Aggregation-prone
36 Y F 1.5607 Aggregation-prone
37 N F 0.9172 Aggregation-prone
38 Y F 0.0000 Buried
39 L F 0.0000 Buried
40 D F 0.0000 Buried
41 W F 0.0000 Buried
42 Y F 0.0000 Buried
43 L F 0.0000 Buried
44 Q F -0.9857 Soluble
45 K F -1.8452 Soluble
46 S F -1.6066 Soluble
47 G F -1.6853 Soluble
48 Q F -2.1218 Soluble
49 S F -1.3779 Soluble
50 P F 0.0000 Buried
51 Q F -1.1659 Soluble
52 L F 0.0000 Buried
53 L F 0.0000 Buried
54 I F 0.0000 Buried
55 Y F -0.1353 Soluble
56 L F 0.0000 Buried
57 G F 0.0000 Buried
65 S F -0.9092 Soluble
66 N F -1.1446 Soluble
67 R F -1.8803 Soluble
68 A F 0.0000 Buried
69 S F -1.0592 Soluble
70 G F -1.0439 Soluble
71 V F 0.0000 Buried
72 P F -1.4082 Soluble
74 D F -2.4926 Soluble
75 R F -2.0498 Soluble
76 F F 0.0000 Buried
77 S F -1.4768 Soluble
78 G F -0.9270 Soluble
79 S F -0.9316 Soluble
80 G F -1.3539 Soluble
83 S F -1.0915 Soluble
84 G F -0.8998 Soluble
85 T F -1.9846 Soluble
86 D F -2.8853 Soluble
87 F F 0.0000 Buried
88 T F -1.2053 Soluble
89 L F 0.0000 Buried
90 K F -1.6058 Soluble
91 I F 0.0000 Buried
92 S F -2.2413 Soluble
93 R F -3.1441 Soluble
94 V F 0.0000 Buried
95 E F -2.2941 Soluble
96 A F -2.1227 Soluble
97 E F -2.4911 Soluble
98 D F 0.0000 Buried
99 V F 0.0000 Buried
100 G F -1.0885 Soluble
101 F F 0.1552 Aggregation-prone
102 Y F 0.0000 Buried
103 Y F 0.0000 Buried
104 C F 0.0000 Buried
105 M F 0.0000 Buried
106 Q F 0.0000 Buried
107 A F 0.0000 Buried
108 L F -0.0131 Soluble
109 Q F -1.2995 Soluble
114 T F -0.6888 Soluble
115 P F -1.0154 Soluble
116 Y F 0.0000 Buried
117 T F -0.3248 Soluble
118 F F -0.0531 Soluble
119 G F 0.0000 Buried
120 Q F -1.1551 Soluble
121 G F 0.0000 Buried
122 T F 0.0000 Buried
123 K F -0.2297 Soluble
124 L F 0.0000 Buried
125 E F -1.1540 Soluble
126 I F 0.0000 Buried
127 K F -1.3676 Soluble
128 R F -0.9717 Soluble
129 T F 0.2491 Aggregation-prone
130 V F 1.2707 Aggregation-prone
131 A F 0.6551 Aggregation-prone
132 A F 0.3853 Aggregation-prone
133 P F 0.0672 Aggregation-prone
134 S F -0.1249 Soluble
135 V F 0.0000 Buried
136 F F 0.0026 Aggregation-prone
137 I F -0.0357 Soluble
138 F F 0.0000 Buried
139 P F -0.7623 Soluble
140 P F -0.8280 Soluble
141 S F -1.4376 Soluble
142 D F -2.6843 Soluble
143 E F -2.4968 Soluble
144 Q F 0.0000 Buried
145 L F -2.0257 Soluble
146 K F -2.7023 Soluble
147 S F -1.7110 Soluble
148 G F -1.3659 Soluble
149 T F -1.0548 Soluble
150 A F 0.0000 Buried
151 S F 0.0000 Buried
152 V F 0.0000 Buried
153 V F 0.0000 Buried
154 C F 0.0000 Buried
155 L F 0.0000 Buried
156 L F 0.0000 Buried
157 N F -0.2981 Soluble
158 N F -0.7612 Soluble
159 F F 0.0000 Buried
160 Y F 0.0000 Buried
161 P F -1.2565 Soluble
162 R F -2.6541 Soluble
163 E F -3.0259 Soluble
164 A F -2.2392 Soluble
165 K F -2.3882 Soluble
166 V F -1.2789 Soluble
167 Q F -0.5858 Soluble
168 W F 0.0000 Buried
169 K F -0.5993 Soluble
170 V F 0.0000 Buried
171 D F -1.9409 Soluble
172 N F -1.6347 Soluble
173 A F -0.3984 Soluble
174 L F 0.6923 Aggregation-prone
175 Q F -0.1051 Soluble
176 S F -0.4586 Soluble
177 G F -0.8966 Soluble
178 N F -0.8142 Soluble
179 S F -1.1989 Soluble
180 Q F -1.4978 Soluble
181 E F -2.0142 Soluble
182 S F -1.0773 Soluble
183 V F -0.8196 Soluble
184 T F -1.0508 Soluble
185 E F -2.1225 Soluble
186 Q F 0.0000 Buried
187 D F -2.1918 Soluble
188 S F -2.4702 Soluble
189 K F -2.6905 Soluble
190 D F -1.8606 Soluble
191 S F 0.0000 Buried
192 T F 0.0000 Buried
193 Y F 0.0000 Buried
194 S F 0.0000 Buried
195 L F 0.0000 Buried
196 S F 0.0000 Buried
197 S F 0.0000 Buried
198 T F -0.6842 Soluble
199 L F 0.0000 Buried
200 T F -0.5711 Soluble
201 L F -0.8159 Soluble
202 S F -1.2909 Soluble
203 K F -1.9058 Soluble
204 A F -1.4874 Soluble
205 D F -2.2722 Soluble
206 Y F 0.0000 Buried
207 H F -2.8094 Soluble
208 K F -3.2920 Soluble
209 V F -2.1177 Soluble
210 Y F 0.0000 Buried
211 A F -0.9024 Soluble
212 C F 0.0000 Buried
213 E F -0.6078 Soluble
214 V F 0.0000 Buried
215 T F -1.0674 Soluble
216 Q F -1.1095 Soluble
217 G F -1.0413 Soluble
218 T F -0.4277 Soluble
219 T F -0.2241 Soluble
220 S F -0.3255 Soluble
221 V F 0.2546 Aggregation-prone
222 T F -0.3508 Soluble
223 K F -0.6968 Soluble
224 S F -0.8543 Soluble
225 F F -1.2457 Soluble
226 N F -2.6608 Soluble
227 R F -3.1586 Soluble
228 G F -1.8946 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
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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
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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 -0.6935 3.1224 CSV PDB
4.5 -0.7377 3.1224 CSV PDB
5.0 -0.7895 3.1224 CSV PDB
5.5 -0.8398 3.1224 CSV PDB
6.0 -0.8783 3.1224 CSV PDB
6.5 -0.8966 3.1224 CSV PDB
7.0 -0.8944 3.1224 CSV PDB
7.5 -0.8784 3.1223 CSV PDB
8.0 -0.8545 3.1221 CSV PDB
8.5 -0.8238 3.1215 CSV PDB
9.0 -0.7862 3.1196 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH