Dupilumab / 6wgk

A4DAB093_6wgk_C_D | Source PDB: 6wgk | Chains: C, D | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6756
Max Score
2.4222
Min Score
-3.9137
Total Score
-291.18
Score CDR
-0.1163
Score non-CDR
-0.7608

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLEQPGGSLRLSCAGSGFTFRDYAMTWVRQAPGKGLEWVSSISGSGGNTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAKDRLSITIRPRYYGLDVWGQGTTVTVSSASTKGPSVFPLAPSTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVEDIVMTQSPLSLPVTPGEPASISCRSSQSLLYSIGYNYLDWYLQKSGQSPQLLIYLGSNRASGVPDRFSGSGSGTDFTLKISRVEAEDVGFYYCMQALQTPYTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTQGTTSVTKSFNR input.pdb
Selected Chain(s) C (Heavy), D (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 -3.9137
Maximum Score 2.4222
Average Score -0.6756
Total Score -291.1769

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

Index Residue Chain A4D Score Classification
1 E C -2.1508 Soluble
2 V C -1.4366 Soluble
3 Q C -1.3333 Soluble
4 L C 0.0000 Buried
5 V C 1.1295 Aggregation-prone
6 E C 0.0000 Buried
7 S C -0.4445 Soluble
8 G C -1.0221 Soluble
9 G C -0.8182 Soluble
11 G C -0.7735 Soluble
12 L C -0.4558 Soluble
13 E C -1.2697 Soluble
14 Q C -1.8344 Soluble
15 P C -1.5035 Soluble
16 G C -1.4307 Soluble
17 G C -1.2497 Soluble
18 S C -1.2463 Soluble
19 L C -1.3331 Soluble
20 R C -2.1120 Soluble
21 L C 0.0000 Buried
22 S C -0.3153 Soluble
23 C C 0.0000 Buried
24 A C -0.1669 Soluble
25 G C 0.0000 Buried
26 S C -1.0326 Soluble
27 G C -1.2800 Soluble
28 F C -0.7585 Soluble
29 T C -0.7150 Soluble
30 F C 0.0000 Buried
35 R C -2.0182 Soluble
36 D C -0.5090 Soluble
37 Y C -0.2981 Soluble
38 A C 0.0000 Buried
39 M C 0.0000 Buried
40 T C 0.0000 Buried
41 W C 0.0000 Buried
42 V C 0.0000 Buried
43 R C 0.0000 Buried
44 Q C -0.9547 Soluble
45 A C -1.3202 Soluble
46 P C -1.0221 Soluble
47 G C -1.4724 Soluble
48 K C -2.4178 Soluble
49 G C -1.5931 Soluble
50 L C 0.0000 Buried
51 E C -1.3677 Soluble
52 W C 0.0000 Buried
53 V C 0.0000 Buried
54 S C 0.0000 Buried
55 S C 0.0000 Buried
56 I C 0.0000 Buried
57 S C -0.7245 Soluble
58 G C 0.0000 Buried
59 S C -1.0916 Soluble
62 G C -1.4169 Soluble
63 G C -1.2864 Soluble
64 N C -1.5394 Soluble
65 T C -0.5540 Soluble
66 Y C -0.1856 Soluble
67 Y C -0.6880 Soluble
68 A C -1.4927 Soluble
69 D C -2.5675 Soluble
70 S C -1.8166 Soluble
71 V C 0.0000 Buried
72 K C -2.5097 Soluble
74 G C -1.7517 Soluble
75 R C -1.3517 Soluble
76 F C 0.0000 Buried
77 T C -0.8433 Soluble
78 I C 0.0000 Buried
79 S C -0.5748 Soluble
80 R C -1.2984 Soluble
81 D C -1.9221 Soluble
82 N C -2.2918 Soluble
83 S C -1.8689 Soluble
84 K C -2.3974 Soluble
85 N C -2.1047 Soluble
86 T C 0.0000 Buried
87 L C 0.0000 Buried
88 Y C -0.5833 Soluble
89 L C 0.0000 Buried
90 Q C -1.2701 Soluble
91 M C 0.0000 Buried
92 N C -1.4489 Soluble
93 S C -1.2363 Soluble
94 L C 0.0000 Buried
95 R C -2.1502 Soluble
96 A C -1.5333 Soluble
97 E C -2.1561 Soluble
98 D C 0.0000 Buried
99 T C -0.7586 Soluble
100 A C 0.0000 Buried
101 V C 0.0101 Aggregation-prone
102 Y C 0.0000 Buried
103 Y C 0.0000 Buried
104 C C 0.0000 Buried
105 A C 0.0000 Buried
106 K C 0.0000 Buried
107 D C 0.0000 Buried
108 R C -0.1569 Soluble
109 L C -0.0044 Soluble
110 S C 0.2209 Aggregation-prone
111 I C 1.3713 Aggregation-prone
111A T C 0.9087 Aggregation-prone
111B I C 1.3308 Aggregation-prone
112C R C -0.9591 Soluble
112B P C -0.7417 Soluble
112A R C -0.9963 Soluble
112 Y C 0.0000 Buried
113 Y C 0.6422 Aggregation-prone
114 G C 0.0000 Buried
115 L C 0.0000 Buried
116 D C -0.4788 Soluble
117 V C -0.6010 Soluble
118 W C 0.0000 Buried
119 G C 0.0000 Buried
120 Q C -1.1582 Soluble
121 G C -0.4650 Soluble
122 T C 0.0000 Buried
123 T C -0.2206 Soluble
124 V C 0.0000 Buried
125 T C 0.0000 Buried
126 V C -1.0494 Soluble
127 S C -0.7974 Soluble
128 S C -0.7453 Soluble
129 A C -0.5180 Soluble
130 S C -0.6644 Soluble
131 T C -0.6818 Soluble
132 K C -1.0929 Soluble
133 G C -1.3165 Soluble
134 P C -0.6356 Soluble
135 S C -0.2557 Soluble
136 V C 0.0000 Buried
137 F C -0.5472 Soluble
138 P C -1.0562 Soluble
139 L C 0.0000 Buried
140 A C -0.6913 Soluble
141 P C -0.4110 Soluble
142 S C -0.3759 Soluble
143 T C -0.3600 Soluble
144 A C -0.1328 Soluble
145 A C 0.0000 Buried
146 L C 0.0000 Buried
147 G C 0.0000 Buried
148 C C 0.0000 Buried
149 L C 0.0000 Buried
150 V C 0.0000 Buried
151 K C 0.0000 Buried
152 D C -0.4392 Soluble
153 Y C 0.0000 Buried
154 F C 0.0000 Buried
155 P C 0.0000 Buried
156 E C -0.3430 Soluble
157 P C -0.6110 Soluble
158 V C 0.0000 Buried
159 T C -0.6834 Soluble
160 V C -0.4696 Soluble
161 S C -0.5168 Soluble
162 W C 0.0000 Buried
163 N C -0.9944 Soluble
164 S C -0.7854 Soluble
165 G C -0.5946 Soluble
166 A C -0.2604 Soluble
167 L C -0.0813 Soluble
168 T C -0.1910 Soluble
169 S C -0.2090 Soluble
170 G C -0.2548 Soluble
171 V C 0.1542 Aggregation-prone
172 H C -0.1928 Soluble
173 T C -0.0576 Soluble
174 F C 0.0000 Buried
175 P C -0.2884 Soluble
176 A C 0.2076 Aggregation-prone
177 V C 0.4714 Aggregation-prone
178 L C 0.9510 Aggregation-prone
179 Q C 0.2049 Aggregation-prone
180 S C -0.1054 Soluble
181 S C -0.2460 Soluble
182 G C -0.0067 Soluble
183 L C 0.1333 Aggregation-prone
184 Y C 0.3746 Aggregation-prone
185 S C 0.0000 Buried
186 L C 0.0000 Buried
187 S C 0.0000 Buried
188 S C 0.0000 Buried
189 V C 0.0000 Buried
190 V C 0.0000 Buried
191 T C -0.1601 Soluble
192 V C 0.0000 Buried
193 P C -0.4246 Soluble
194 S C -0.3140 Soluble
195 S C -0.4922 Soluble
196 S C 0.0000 Buried
197 L C -0.5301 Soluble
198 G C -0.8676 Soluble
199 T C -0.8756 Soluble
200 K C -1.5151 Soluble
201 T C -1.4743 Soluble
202 Y C 0.0000 Buried
203 T C -1.8362 Soluble
204 C C 0.0000 Buried
205 N C -1.7364 Soluble
206 V C 0.0000 Buried
207 D C -2.0093 Soluble
208 H C 0.0000 Buried
209 K C -2.3700 Soluble
210 P C -1.3773 Soluble
211 S C -1.6436 Soluble
212 N C -2.2827 Soluble
213 T C -1.9916 Soluble
214 K C -2.6801 Soluble
215 V C -1.7511 Soluble
216 D C -2.7954 Soluble
217 K C -2.3417 Soluble
218 R C -2.9586 Soluble
219 V C 0.0000 Buried
220 E C -2.3759 Soluble
1 D D -1.8207 Soluble
2 I D 0.0000 Buried
3 V D 0.8205 Aggregation-prone
4 M D 0.0000 Buried
5 T D -0.7686 Soluble
6 Q D 0.0000 Buried
7 S D -0.2718 Soluble
8 P D 0.2572 Aggregation-prone
9 L D 1.1433 Aggregation-prone
10 S D 0.4572 Aggregation-prone
11 L D 0.1423 Aggregation-prone
12 P D -0.6675 Soluble
13 V D 0.0000 Buried
14 T D -1.5348 Soluble
15 P D -1.9465 Soluble
16 G D -1.8795 Soluble
17 E D -2.3270 Soluble
18 P D -2.1003 Soluble
19 A D 0.0000 Buried
20 S D -0.7697 Soluble
21 I D 0.0000 Buried
22 S D -1.0251 Soluble
23 C D 0.0000 Buried
24 R D -2.5600 Soluble
25 S D 0.0000 Buried
26 S D -0.9125 Soluble
27 Q D -1.2726 Soluble
28 S D -0.6425 Soluble
29 L D 0.0000 Buried
30 L D 1.7436 Aggregation-prone
31 Y D 2.1337 Aggregation-prone
32 S D 1.9129 Aggregation-prone
34 I D 2.4222 Aggregation-prone
35 G D 1.2347 Aggregation-prone
36 Y D 1.9056 Aggregation-prone
37 N D 0.0000 Buried
38 Y D 0.0000 Buried
39 L D 0.0000 Buried
40 D D 0.0000 Buried
41 W D 0.0000 Buried
42 Y D 0.0000 Buried
43 L D -0.3030 Soluble
44 Q D -0.7308 Soluble
45 K D -1.3216 Soluble
46 S D -1.2125 Soluble
47 G D -1.5444 Soluble
48 Q D -2.0106 Soluble
49 S D -1.3667 Soluble
50 P D 0.0000 Buried
51 Q D -1.3120 Soluble
52 L D 0.0000 Buried
53 L D 0.0000 Buried
54 I D 0.0000 Buried
55 Y D -0.1591 Soluble
56 L D 0.0000 Buried
57 G D 0.0000 Buried
65 S D -0.8678 Soluble
66 N D -1.1669 Soluble
67 R D -1.8269 Soluble
68 A D -0.9742 Soluble
69 S D -0.8567 Soluble
70 G D -0.9018 Soluble
71 V D -1.0234 Soluble
72 P D -1.3241 Soluble
74 D D -2.4076 Soluble
75 R D -2.0174 Soluble
76 F D 0.0000 Buried
77 S D -1.3863 Soluble
78 G D -0.8936 Soluble
79 S D -0.8627 Soluble
80 G D -1.2640 Soluble
83 S D -0.7350 Soluble
84 G D -0.6982 Soluble
85 T D -1.8474 Soluble
86 D D -2.8324 Soluble
87 F D 0.0000 Buried
88 T D -1.2073 Soluble
89 L D 0.0000 Buried
90 K D -1.6102 Soluble
91 I D 0.0000 Buried
92 S D -2.2354 Soluble
93 R D -3.1859 Soluble
94 V D 0.0000 Buried
95 E D -2.6049 Soluble
96 A D -2.3474 Soluble
97 E D -2.8282 Soluble
98 D D 0.0000 Buried
99 V D 0.0000 Buried
100 G D 0.0000 Buried
101 F D 0.4343 Aggregation-prone
102 Y D 0.0000 Buried
103 Y D 0.0000 Buried
104 C D 0.0000 Buried
105 M D 0.0000 Buried
106 Q D 0.0000 Buried
107 A D 0.0000 Buried
108 L D 0.0922 Aggregation-prone
109 Q D -1.2501 Soluble
114 T D -0.9680 Soluble
115 P D -1.0680 Soluble
116 Y D 0.0000 Buried
117 T D -0.3465 Soluble
118 F D -0.0591 Soluble
119 G D 0.0000 Buried
120 Q D -1.2513 Soluble
121 G D 0.0000 Buried
122 T D 0.0000 Buried
123 K D -0.0201 Soluble
124 L D 0.0000 Buried
125 E D -0.8247 Soluble
126 I D 0.0000 Buried
127 K D -1.4001 Soluble
128 R D -0.9984 Soluble
129 T D 0.2178 Aggregation-prone
130 V D 1.2420 Aggregation-prone
131 A D 0.4750 Aggregation-prone
132 A D 0.3628 Aggregation-prone
133 P D 0.0787 Aggregation-prone
134 S D -0.1403 Soluble
135 V D 0.0000 Buried
136 F D 0.1735 Aggregation-prone
137 I D 0.1788 Aggregation-prone
138 F D 0.0000 Buried
139 P D -0.7811 Soluble
140 P D 0.0000 Buried
141 S D -1.3625 Soluble
142 D D -2.5817 Soluble
143 E D -2.2441 Soluble
144 Q D 0.0000 Buried
145 L D -2.1162 Soluble
146 K D -2.5878 Soluble
147 S D -1.6128 Soluble
148 G D -1.2260 Soluble
149 T D -0.8732 Soluble
150 A D 0.0000 Buried
151 S D 0.0000 Buried
152 V D 0.0000 Buried
153 V D 0.0000 Buried
154 C D 0.0000 Buried
155 L D 0.0000 Buried
156 L D 0.0000 Buried
157 N D 0.0000 Buried
158 N D -0.7518 Soluble
159 F D 0.0000 Buried
160 Y D 0.0000 Buried
161 P D -1.3609 Soluble
162 R D -2.8497 Soluble
163 E D -3.1560 Soluble
164 A D -2.3164 Soluble
165 K D -2.3883 Soluble
166 V D -1.1361 Soluble
167 Q D -0.6217 Soluble
168 W D 0.0000 Buried
169 K D -0.8784 Soluble
170 V D 0.0000 Buried
171 D D -2.2667 Soluble
172 N D -1.7621 Soluble
173 A D -0.6210 Soluble
174 L D 0.0826 Aggregation-prone
175 Q D -0.3812 Soluble
176 S D -0.5166 Soluble
177 G D -0.8667 Soluble
178 N D -0.7571 Soluble
179 S D -0.9817 Soluble
180 Q D -1.1819 Soluble
181 E D -1.4927 Soluble
182 S D -0.7463 Soluble
183 V D -0.5965 Soluble
184 T D -0.8151 Soluble
185 E D -1.4815 Soluble
186 Q D 0.0000 Buried
187 D D -1.8133 Soluble
188 S D -2.3726 Soluble
189 K D -2.7205 Soluble
190 D D -1.8503 Soluble
191 S D 0.0000 Buried
192 T D 0.0000 Buried
193 Y D -1.0835 Soluble
194 S D 0.0000 Buried
195 L D 0.0000 Buried
196 S D 0.0000 Buried
197 S D 0.0000 Buried
198 T D -0.5222 Soluble
199 L D 0.0000 Buried
200 T D -0.4219 Soluble
201 L D -0.6778 Soluble
202 S D -1.2816 Soluble
203 K D -2.1932 Soluble
204 A D -2.0008 Soluble
205 D D -2.6171 Soluble
206 Y D 0.0000 Buried
207 E D -3.8917 Soluble
208 K D -3.9137 Soluble
209 H D -3.4733 Soluble
210 K D -3.7967 Soluble
211 V D -2.1212 Soluble
212 Y D 0.0000 Buried
213 A D 0.0000 Buried
214 C D 0.0000 Buried
215 E D -0.6578 Soluble
216 V D 0.0000 Buried
217 T D -1.0539 Soluble
218 Q D -1.1683 Soluble
219 G D -1.0728 Soluble
220 T D -0.4349 Soluble
221 T D -0.2580 Soluble
222 S D -0.3296 Soluble
223 V D 0.2698 Aggregation-prone
224 T D -0.2462 Soluble
225 K D -0.5315 Soluble
226 S D -0.8131 Soluble
227 F D -1.2084 Soluble
228 N D -2.6853 Soluble
229 R D -3.5350 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
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
Load structure at specific pH condition
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 -0.696 3.2708 CSV PDB
4.5 -0.7384 3.2708 CSV PDB
5.0 -0.7898 3.2708 CSV PDB
5.5 -0.8413 3.2708 CSV PDB
6.0 -0.8829 3.2708 CSV PDB
6.5 -0.9054 3.2708 CSV PDB
7.0 -0.9069 3.2708 CSV PDB
7.5 -0.8933 3.2707 CSV PDB
8.0 -0.8708 3.2703 CSV PDB
8.5 -0.8418 3.2691 CSV PDB
9.0 -0.8061 3.2654 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH