Dupilumab / 6wgk

A4DAB093_6wgk_G_H | Source PDB: 6wgk | Chains: G, H | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6669
Max Score
2.3042
Min Score
-3.806
Total Score
-284.11
Score CDR
-0.2542
Score non-CDR
-0.7854

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLEQPGGSLRLSCAGSGFTFRDYAMTWVRQAPGKGLEWVSSISGSGGNTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAKDRLSITPRYYGLDVWGQGTTVTVSSASTKGPSVFPLAPTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVEDIVMTQSPLSLPVTPGEPASISCRSSQSLLYSIGYNYLDWYLQKSGQSPQLLIYLGSNRASGVPDRFSGSGSGTDFTLKISRVEAEDVGFYYCMQALQTPYTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTQGTTSVTKSF input.pdb
Selected Chain(s) G (Heavy), H (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 -3.806
Maximum Score 2.3042
Average Score -0.6669
Total Score -284.1136

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

Index Residue Chain A4D Score Classification
1 E G -2.1264 Soluble
2 V G -1.3533 Soluble
3 Q G -1.3720 Soluble
4 L G 0.0000 Buried
5 V G 1.1089 Aggregation-prone
6 E G 0.0000 Buried
7 S G -0.4524 Soluble
8 G G -1.0401 Soluble
9 G G -0.7596 Soluble
11 G G -0.7517 Soluble
12 L G -0.3916 Soluble
13 E G -1.2610 Soluble
14 Q G -1.8932 Soluble
15 P G -1.8504 Soluble
16 G G -1.5164 Soluble
17 G G -1.2763 Soluble
18 S G -1.3479 Soluble
19 L G -1.3127 Soluble
20 R G -2.1665 Soluble
21 L G 0.0000 Buried
22 S G -0.3795 Soluble
23 C G 0.0000 Buried
24 A G -0.1557 Soluble
25 G G 0.0000 Buried
26 S G -1.0351 Soluble
27 G G -1.1835 Soluble
28 F G -0.7461 Soluble
29 T G -0.7478 Soluble
30 F G 0.0000 Buried
35 R G -1.9788 Soluble
36 D G -0.3813 Soluble
37 Y G -0.3165 Soluble
38 A G 0.0000 Buried
39 M G 0.0000 Buried
40 T G 0.0000 Buried
41 W G 0.0000 Buried
42 V G 0.0000 Buried
43 R G 0.0000 Buried
44 Q G -0.9134 Soluble
45 A G -1.2761 Soluble
46 P G -1.0134 Soluble
47 G G -1.4771 Soluble
48 K G -2.4078 Soluble
49 G G -1.5765 Soluble
50 L G 0.0000 Buried
51 E G -1.2445 Soluble
52 W G 0.0000 Buried
53 V G 0.0000 Buried
54 S G 0.0000 Buried
55 S G 0.0000 Buried
56 I G 0.0000 Buried
57 S G -0.6978 Soluble
58 G G 0.0000 Buried
59 S G -1.0850 Soluble
62 G G -1.3496 Soluble
63 G G -1.2874 Soluble
64 N G -1.4985 Soluble
65 T G -0.5004 Soluble
66 Y G -0.0853 Soluble
67 Y G -0.6212 Soluble
68 A G 0.0000 Buried
69 D G -2.5700 Soluble
70 S G -1.7140 Soluble
71 V G 0.0000 Buried
72 K G -2.4288 Soluble
74 G G -1.6412 Soluble
75 R G 0.0000 Buried
76 F G 0.0000 Buried
77 T G -0.7599 Soluble
78 I G 0.0000 Buried
79 S G -0.6479 Soluble
80 R G -1.3196 Soluble
81 D G -1.8867 Soluble
82 N G -2.2764 Soluble
83 S G -1.8851 Soluble
84 K G -2.4387 Soluble
85 N G -2.1942 Soluble
86 T G -1.2182 Soluble
87 L G 0.0000 Buried
88 Y G -0.5774 Soluble
89 L G 0.0000 Buried
90 Q G -1.2727 Soluble
91 M G 0.0000 Buried
92 N G -1.4558 Soluble
93 S G -1.2456 Soluble
94 L G 0.0000 Buried
95 R G -2.3862 Soluble
96 A G -1.7580 Soluble
97 E G -2.2398 Soluble
98 D G 0.0000 Buried
99 T G -0.8264 Soluble
100 A G 0.0000 Buried
101 V G 0.0659 Aggregation-prone
102 Y G 0.0000 Buried
103 Y G 0.0000 Buried
104 C G 0.0000 Buried
105 A G 0.0000 Buried
106 K G 0.0000 Buried
107 D G 0.0000 Buried
108 R G -0.3608 Soluble
109 L G -0.1037 Soluble
110 S G 0.1437 Aggregation-prone
111 I G 1.3546 Aggregation-prone
111A T G 0.4992 Aggregation-prone
112B P G -0.7346 Soluble
112A R G -1.4806 Soluble
112 Y G 0.0000 Buried
113 Y G 0.2612 Aggregation-prone
114 G G 0.0000 Buried
115 L G 0.0000 Buried
116 D G -0.2860 Soluble
117 V G -0.6423 Soluble
118 W G 0.0000 Buried
119 G G 0.0000 Buried
120 Q G -1.1739 Soluble
121 G G -0.5111 Soluble
122 T G -0.2196 Soluble
123 T G -0.1339 Soluble
124 V G 0.0000 Buried
125 T G 0.0000 Buried
126 V G 0.0000 Buried
127 S G -0.9486 Soluble
128 S G -0.8819 Soluble
129 A G -0.5919 Soluble
130 S G -0.7433 Soluble
131 T G -0.8236 Soluble
132 K G -1.5152 Soluble
133 G G -1.6315 Soluble
134 P G -0.7642 Soluble
135 S G -0.4301 Soluble
136 V G 0.0000 Buried
137 F G -0.5597 Soluble
138 P G -1.0380 Soluble
139 L G 0.0000 Buried
140 A G -0.4582 Soluble
141 P G -0.3867 Soluble
142 T G -0.2869 Soluble
143 A G -0.1353 Soluble
144 A G 0.0000 Buried
145 L G 0.0000 Buried
146 G G 0.0000 Buried
147 C G 0.0000 Buried
148 L G 0.0000 Buried
149 V G 0.0000 Buried
150 K G 0.0000 Buried
151 D G -0.5982 Soluble
152 Y G 0.0000 Buried
153 F G 0.0000 Buried
154 P G 0.0000 Buried
155 E G -0.5382 Soluble
156 P G -0.6715 Soluble
157 V G -0.6788 Soluble
158 T G -0.5822 Soluble
159 V G -0.4044 Soluble
160 S G -0.4824 Soluble
161 W G 0.0000 Buried
162 N G -0.9380 Soluble
163 S G -0.7422 Soluble
164 G G -0.5414 Soluble
165 A G -0.2401 Soluble
166 L G -0.0831 Soluble
167 T G -0.1859 Soluble
168 S G -0.2000 Soluble
169 G G -0.2304 Soluble
170 V G 0.1486 Aggregation-prone
171 H G -0.3071 Soluble
172 T G -0.0030 Soluble
173 F G 0.0000 Buried
174 P G -0.3050 Soluble
175 A G 0.4461 Aggregation-prone
176 V G 0.6024 Aggregation-prone
177 L G 1.2408 Aggregation-prone
178 Q G 0.2229 Aggregation-prone
179 S G -0.0912 Soluble
180 S G -0.2801 Soluble
181 G G -0.0857 Soluble
182 L G 0.0404 Aggregation-prone
183 Y G 0.3857 Aggregation-prone
184 S G 0.0000 Buried
185 L G 0.0000 Buried
186 S G 0.0000 Buried
187 S G 0.0000 Buried
188 V G 0.0000 Buried
189 V G 0.0000 Buried
190 T G -0.1443 Soluble
191 V G 0.0000 Buried
192 P G -0.4736 Soluble
193 S G -0.3877 Soluble
194 S G -0.4893 Soluble
195 S G 0.0000 Buried
196 L G -0.5605 Soluble
197 G G -1.0419 Soluble
198 T G -0.7864 Soluble
199 K G -1.5191 Soluble
200 T G -1.4223 Soluble
201 Y G 0.0000 Buried
202 T G -1.8868 Soluble
203 C G 0.0000 Buried
204 N G -1.6592 Soluble
205 V G 0.0000 Buried
206 D G -2.0634 Soluble
207 H G 0.0000 Buried
208 K G -2.8339 Soluble
209 P G -1.6846 Soluble
210 S G -1.9615 Soluble
211 N G -2.5766 Soluble
212 T G -2.1669 Soluble
213 K G -2.8114 Soluble
214 V G -1.7897 Soluble
215 D G -2.7215 Soluble
216 K G -2.3156 Soluble
217 R G -2.8572 Soluble
218 V G 0.0000 Buried
219 E G -2.5142 Soluble
1 D H -1.8885 Soluble
2 I H 0.0000 Buried
3 V H 0.7605 Aggregation-prone
4 M H 0.0000 Buried
5 T H -0.7097 Soluble
6 Q H 0.0000 Buried
7 S H -0.2336 Soluble
8 P H 0.2845 Aggregation-prone
9 L H 1.1918 Aggregation-prone
10 S H 0.4428 Aggregation-prone
11 L H 0.0413 Aggregation-prone
12 P H -0.7716 Soluble
13 V H 0.0000 Buried
14 T H -1.6676 Soluble
15 P H -2.0089 Soluble
16 G H -2.0071 Soluble
17 E H -2.7120 Soluble
18 P H -2.2526 Soluble
19 A H -1.3044 Soluble
20 S H -0.7075 Soluble
21 I H 0.0000 Buried
22 S H -1.0896 Soluble
23 C H 0.0000 Buried
24 R H -2.3709 Soluble
25 S H 0.0000 Buried
26 S H -0.9900 Soluble
27 Q H -1.5613 Soluble
28 S H -0.8499 Soluble
29 L H 0.0000 Buried
30 L H 1.3863 Aggregation-prone
31 Y H 1.9450 Aggregation-prone
32 S H 1.7661 Aggregation-prone
34 I H 2.3042 Aggregation-prone
35 G H 1.1055 Aggregation-prone
36 Y H 1.6122 Aggregation-prone
37 N H 0.9143 Aggregation-prone
38 Y H 0.0000 Buried
39 L H 0.0000 Buried
40 D H 0.0000 Buried
41 W H 0.0000 Buried
42 Y H 0.0000 Buried
43 L H 0.0000 Buried
44 Q H -0.9535 Soluble
45 K H -1.7594 Soluble
46 S H -1.6181 Soluble
47 G H -1.7204 Soluble
48 Q H -2.1313 Soluble
49 S H -1.4402 Soluble
50 P H 0.0000 Buried
51 Q H -1.3208 Soluble
52 L H 0.0000 Buried
53 L H 0.0000 Buried
54 I H 0.0000 Buried
55 Y H -0.1277 Soluble
56 L H 0.1864 Aggregation-prone
57 G H 0.0000 Buried
65 S H -0.7671 Soluble
66 N H -1.0815 Soluble
67 R H -1.6430 Soluble
68 A H -0.8801 Soluble
69 S H -0.7622 Soluble
70 G H -0.8614 Soluble
71 V H -0.9605 Soluble
72 P H -1.3011 Soluble
74 D H -2.3756 Soluble
75 R H -1.9804 Soluble
76 F H 0.0000 Buried
77 S H -1.3014 Soluble
78 G H 0.0000 Buried
79 S H -0.7892 Soluble
80 G H -1.1249 Soluble
83 S H -0.6672 Soluble
84 G H -0.7171 Soluble
85 T H -1.6753 Soluble
86 D H -2.2215 Soluble
87 F H 0.0000 Buried
88 T H -1.0635 Soluble
89 L H 0.0000 Buried
90 K H -1.5329 Soluble
91 I H 0.0000 Buried
92 S H -2.2807 Soluble
93 R H -3.2929 Soluble
94 V H 0.0000 Buried
95 E H -2.4097 Soluble
96 A H -2.0911 Soluble
97 E H -2.3976 Soluble
98 D H 0.0000 Buried
99 V H 0.0000 Buried
100 G H 0.0000 Buried
101 F H 0.3616 Aggregation-prone
102 Y H 0.0000 Buried
103 Y H 0.0000 Buried
104 C H 0.0000 Buried
105 M H 0.0000 Buried
106 Q H 0.0000 Buried
107 A H 0.0000 Buried
108 L H -0.0029 Soluble
109 Q H -1.2053 Soluble
114 T H -0.7568 Soluble
115 P H -1.0600 Soluble
116 Y H 0.0000 Buried
117 T H -0.3264 Soluble
118 F H -0.0313 Soluble
119 G H 0.0000 Buried
120 Q H -1.1910 Soluble
121 G H 0.0000 Buried
122 T H 0.0000 Buried
123 K H 0.2398 Aggregation-prone
124 L H 0.0000 Buried
125 E H -1.0258 Soluble
126 I H 0.0000 Buried
127 K H -1.3128 Soluble
128 R H -0.9237 Soluble
129 T H 0.2633 Aggregation-prone
130 V H 1.2514 Aggregation-prone
131 A H 0.6744 Aggregation-prone
132 A H 0.4108 Aggregation-prone
133 P H 0.1423 Aggregation-prone
134 S H -0.0093 Soluble
135 V H 0.1443 Aggregation-prone
136 F H 0.1636 Aggregation-prone
137 I H 0.2630 Aggregation-prone
138 F H 0.0000 Buried
139 P H -0.1368 Soluble
140 P H 0.0000 Buried
141 S H -1.3753 Soluble
142 D H -2.6326 Soluble
143 E H -2.3739 Soluble
144 Q H 0.0000 Buried
145 L H -2.0526 Soluble
146 K H -2.6140 Soluble
147 S H -1.6192 Soluble
148 G H -1.1723 Soluble
149 T H -0.8339 Soluble
150 A H 0.0000 Buried
151 S H 0.0000 Buried
152 V H 0.0000 Buried
153 V H 0.0000 Buried
154 C H 0.0000 Buried
155 L H 0.0000 Buried
156 L H 0.0000 Buried
157 N H 0.0000 Buried
158 N H -0.6125 Soluble
159 F H 0.0000 Buried
160 Y H 0.0000 Buried
161 P H -1.3732 Soluble
162 R H -2.7260 Soluble
163 E H -3.1693 Soluble
164 A H -2.3037 Soluble
165 K H -2.3833 Soluble
166 V H -1.1315 Soluble
167 Q H -0.4922 Soluble
168 W H 0.0000 Buried
169 K H -0.3959 Soluble
170 V H 0.0000 Buried
171 D H -1.5782 Soluble
172 N H -1.3708 Soluble
173 A H -0.1572 Soluble
174 L H 0.7852 Aggregation-prone
175 Q H -0.2751 Soluble
176 S H -0.6811 Soluble
177 G H -1.4070 Soluble
178 N H -1.8180 Soluble
179 S H -1.6211 Soluble
180 Q H -1.6998 Soluble
181 E H -1.6009 Soluble
182 S H -0.8565 Soluble
183 V H -0.7219 Soluble
184 T H -1.1747 Soluble
185 E H -2.1933 Soluble
186 Q H 0.0000 Buried
187 D H -2.1604 Soluble
188 S H -2.4527 Soluble
189 K H -2.6547 Soluble
190 D H -1.8660 Soluble
191 S H 0.0000 Buried
192 T H 0.0000 Buried
193 Y H 0.0000 Buried
194 S H 0.0000 Buried
195 L H 0.0000 Buried
196 S H 0.0000 Buried
197 S H 0.0000 Buried
198 T H -0.7977 Soluble
199 L H 0.0000 Buried
200 T H -0.8054 Soluble
201 L H -0.9257 Soluble
202 S H -1.3453 Soluble
203 K H -2.2033 Soluble
204 A H -2.1228 Soluble
205 D H -2.8444 Soluble
206 Y H -2.5892 Soluble
207 E H -3.6679 Soluble
208 K H -3.8060 Soluble
209 H H -2.9926 Soluble
210 K H -2.4773 Soluble
211 V H -0.6649 Soluble
212 Y H 0.0000 Buried
213 A H -0.2765 Soluble
214 C H 0.0000 Buried
215 E H -0.4986 Soluble
216 V H 0.0000 Buried
217 T H -1.0315 Soluble
218 Q H -1.1703 Soluble
219 G H -1.0567 Soluble
220 T H -0.4225 Soluble
221 T H -0.2425 Soluble
222 S H -0.3113 Soluble
223 V H 0.2968 Aggregation-prone
224 T H -0.2680 Soluble
225 K H -0.4789 Soluble
226 S H -0.0064 Soluble
227 F H 0.6122 Aggregation-prone

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 -0.6593 3.1777 CSV PDB
4.5 -0.7035 3.1777 CSV PDB
5.0 -0.7555 3.1777 CSV PDB
5.5 -0.8063 3.1777 CSV PDB
6.0 -0.8454 3.1777 CSV PDB
6.5 -0.8639 3.1777 CSV PDB
7.0 -0.8606 3.1776 CSV PDB
7.5 -0.8422 3.1776 CSV PDB
8.0 -0.8148 3.1775 CSV PDB
8.5 -0.7804 3.177 CSV PDB
9.0 -0.7392 3.1756 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH