Dupilumab / 6wgj

A4DAB093_6wgj_C_D | Source PDB: 6wgj | Chains: C, D | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7383
Max Score
2.3348
Min Score
-3.7991
Total Score
-317.48
Score CDR
-0.2847
Score non-CDR
-0.8062

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLEQPGGSLRLSCAGSGFTFRDYAMTWVRQAPGKGLEWVSSISGSGGNTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAKDRLSTIRPRYYGLDVWGQGTTVTVSSASTKGPSVFPLAESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGKTYTCNVDHKPSNTKVDKRVEDIVMTQSPLSLPVTPGEPASISCRSSQSLLYSIGYNYLDWYLQKSGQSPQLLIYLGSNRASGVPDRFSGSGSGTDFTLKISRVEAEDVGFYYCMQALQTPYTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTQGTTSVTKSFNRG 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 -3.7991
Maximum Score 2.3348
Average Score -0.7383
Total Score -317.4771

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

Index Residue Chain A4D Score Classification
1 E C -2.1151 Soluble
2 V C -1.4416 Soluble
3 Q C -1.3688 Soluble
4 L C 0.0000 Buried
5 V C 1.1321 Aggregation-prone
6 E C 0.0000 Buried
7 S C -0.3729 Soluble
8 G C -0.9283 Soluble
9 G C -0.7461 Soluble
11 G C -0.7550 Soluble
12 L C -0.5822 Soluble
13 E C -1.4130 Soluble
14 Q C -1.9299 Soluble
15 P C -1.5896 Soluble
16 G C -1.4710 Soluble
17 G C -1.3007 Soluble
18 S C -1.3569 Soluble
19 L C -1.2506 Soluble
20 R C -1.9772 Soluble
21 L C 0.0000 Buried
22 S C -0.2583 Soluble
23 C C 0.0000 Buried
24 A C -0.1296 Soluble
25 G C 0.0000 Buried
26 S C -0.9912 Soluble
27 G C -1.1984 Soluble
28 F C -0.8513 Soluble
29 T C -1.0158 Soluble
30 F C 0.0000 Buried
35 R C -2.7745 Soluble
36 D C -2.0143 Soluble
37 Y C -1.1219 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 -0.9161 Soluble
45 A C -1.3001 Soluble
46 P C -1.0007 Soluble
47 G C -1.4728 Soluble
48 K C -2.4278 Soluble
49 G C -1.6277 Soluble
50 L C 0.0000 Buried
51 E C -1.3720 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 -1.1315 Soluble
58 G C 0.0000 Buried
59 S C -1.6066 Soluble
62 G C -1.4563 Soluble
63 G C -1.2999 Soluble
64 N C -1.5325 Soluble
65 T C -0.5597 Soluble
66 Y C -0.1918 Soluble
67 Y C -0.6723 Soluble
68 A C 0.0000 Buried
69 D C -2.5678 Soluble
70 S C -1.7927 Soluble
71 V C 0.0000 Buried
72 K C -2.4944 Soluble
74 G C -1.7445 Soluble
75 R C -1.3128 Soluble
76 F C 0.0000 Buried
77 T C -0.7883 Soluble
78 I C 0.0000 Buried
79 S C -0.4584 Soluble
80 R C -1.3367 Soluble
81 D C -2.0018 Soluble
82 N C -2.2983 Soluble
83 S C -1.7526 Soluble
84 K C -2.1203 Soluble
85 N C -2.0787 Soluble
86 T C 0.0000 Buried
87 L C 0.0000 Buried
88 Y C -0.5078 Soluble
89 L C 0.0000 Buried
90 Q C -1.0845 Soluble
91 M C 0.0000 Buried
92 N C -1.4096 Soluble
93 S C -1.2355 Soluble
94 L C 0.0000 Buried
95 R C -2.2815 Soluble
96 A C -1.6236 Soluble
97 E C -2.2048 Soluble
98 D C 0.0000 Buried
99 T C -0.8177 Soluble
100 A C 0.0000 Buried
101 V C 0.1122 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 -0.6114 Soluble
109 L C -0.6816 Soluble
110 S C -0.8823 Soluble
111 T C 0.1499 Aggregation-prone
111A I C 1.3813 Aggregation-prone
111B R C -0.2563 Soluble
112B P C -0.5869 Soluble
112A R C -1.0493 Soluble
112 Y C 0.0000 Buried
113 Y C 0.1247 Aggregation-prone
114 G C 0.0000 Buried
115 L C 0.0000 Buried
116 D C -0.7314 Soluble
117 V C -0.7739 Soluble
118 W C 0.0000 Buried
119 G C 0.0000 Buried
120 Q C -1.1690 Soluble
121 G C -0.3997 Soluble
122 T C 0.0000 Buried
123 T C -0.2362 Soluble
124 V C 0.0000 Buried
125 T C -0.7100 Soluble
126 V C 0.0000 Buried
127 S C -0.9191 Soluble
128 S C -0.7930 Soluble
129 A C -0.6074 Soluble
130 S C -0.7770 Soluble
131 T C -1.0118 Soluble
132 K C -1.9207 Soluble
133 G C -1.8823 Soluble
134 P C -0.9436 Soluble
135 S C -0.3714 Soluble
136 V C 0.0000 Buried
137 F C -0.7375 Soluble
138 P C -1.1711 Soluble
139 L C 0.0000 Buried
140 A C -0.6039 Soluble
141 E C -1.9937 Soluble
142 S C -1.3072 Soluble
143 T C -0.8644 Soluble
144 A C -0.3339 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 -0.7392 Soluble
153 Y C 0.0000 Buried
154 F C 0.0000 Buried
155 P C 0.0000 Buried
156 E C -0.6060 Soluble
157 P C -0.8069 Soluble
158 V C 0.0000 Buried
159 T C -0.9252 Soluble
160 V C -0.5786 Soluble
161 S C -0.5274 Soluble
162 W C 0.0000 Buried
163 N C -0.8625 Soluble
164 S C -0.6735 Soluble
165 G C -0.4787 Soluble
166 A C -0.1928 Soluble
167 L C -0.0419 Soluble
168 T C -0.1735 Soluble
169 S C -0.2165 Soluble
170 G C -0.3263 Soluble
171 V C 0.1415 Aggregation-prone
172 H C -0.2038 Soluble
173 T C -0.0298 Soluble
174 F C 0.0000 Buried
175 P C -0.3417 Soluble
176 A C 0.0113 Aggregation-prone
177 V C 0.2808 Aggregation-prone
178 L C 0.8995 Aggregation-prone
179 Q C 0.1402 Aggregation-prone
180 S C -0.1079 Soluble
181 S C -0.2529 Soluble
182 G C -0.0064 Soluble
183 L C -0.0020 Soluble
184 Y C 0.2676 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 -0.1827 Soluble
192 V C 0.0000 Buried
193 P C -0.6044 Soluble
194 S C -0.6145 Soluble
195 S C -0.5553 Soluble
196 S C -0.6844 Soluble
197 L C -0.5897 Soluble
198 G C -0.9361 Soluble
199 K C -1.7292 Soluble
200 T C -1.6162 Soluble
201 Y C 0.0000 Buried
202 T C -1.7179 Soluble
203 C C 0.0000 Buried
204 N C -1.6758 Soluble
205 V C 0.0000 Buried
206 D C -2.6466 Soluble
207 H C 0.0000 Buried
208 K C -2.9830 Soluble
209 P C -1.8035 Soluble
210 S C -2.0646 Soluble
211 N C -2.6799 Soluble
212 T C -2.3314 Soluble
213 K C -2.9629 Soluble
214 V C -1.8306 Soluble
215 D C -2.4935 Soluble
216 K C -2.3051 Soluble
217 R C -2.8490 Soluble
218 V C 0.0000 Buried
219 E C -2.3188 Soluble
1 D D -1.7720 Soluble
2 I D -0.3286 Soluble
3 V D 0.8821 Aggregation-prone
4 M D 0.0000 Buried
5 T D -0.6268 Soluble
6 Q D 0.0000 Buried
7 S D -0.4236 Soluble
8 P D -0.0296 Soluble
9 L D 0.5077 Aggregation-prone
10 S D 0.0293 Aggregation-prone
11 L D -0.2084 Soluble
12 P D -0.8832 Soluble
13 V D 0.0000 Buried
14 T D -1.5939 Soluble
15 P D -2.0390 Soluble
16 G D -1.9467 Soluble
17 E D -2.3044 Soluble
18 P D -2.2693 Soluble
19 A D 0.0000 Buried
20 S D -0.8821 Soluble
21 I D 0.0000 Buried
22 S D -1.1196 Soluble
23 C D 0.0000 Buried
24 R D -2.4824 Soluble
25 S D 0.0000 Buried
26 S D -0.9278 Soluble
27 Q D -1.5150 Soluble
28 S D -0.8183 Soluble
29 L D 0.0000 Buried
30 L D 1.6232 Aggregation-prone
31 Y D 2.0859 Aggregation-prone
32 S D 1.7817 Aggregation-prone
34 I D 2.3348 Aggregation-prone
35 G D 1.1378 Aggregation-prone
36 Y D 1.7730 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 0.0000 Buried
44 Q D -0.9840 Soluble
45 K D -1.6518 Soluble
46 S D -1.3169 Soluble
47 G D -1.5941 Soluble
48 Q D -2.1347 Soluble
49 S D -1.4675 Soluble
50 P D 0.0000 Buried
51 Q D -1.4054 Soluble
52 L D 0.0000 Buried
53 L D 0.0000 Buried
54 I D 0.0000 Buried
55 Y D -0.0553 Soluble
56 L D 0.2444 Aggregation-prone
57 G D 0.0000 Buried
65 S D -0.7861 Soluble
66 N D -1.0428 Soluble
67 R D -1.5473 Soluble
68 A D -0.9306 Soluble
69 S D -0.8075 Soluble
70 G D -0.8720 Soluble
71 V D -0.9841 Soluble
72 P D -1.2947 Soluble
74 D D -2.3888 Soluble
75 R D -2.2424 Soluble
76 F D 0.0000 Buried
77 S D -1.5753 Soluble
78 G D 0.0000 Buried
79 S D -1.0493 Soluble
80 G D -1.2291 Soluble
83 S D -0.7299 Soluble
84 G D -0.8149 Soluble
85 T D -1.9220 Soluble
86 D D -2.8245 Soluble
87 F D 0.0000 Buried
88 T D -1.3183 Soluble
89 L D 0.0000 Buried
90 K D -2.1830 Soluble
91 I D 0.0000 Buried
92 S D -2.4692 Soluble
93 R D -3.3556 Soluble
94 V D 0.0000 Buried
95 E D -2.9408 Soluble
96 A D -2.4406 Soluble
97 E D -2.7268 Soluble
98 D D 0.0000 Buried
99 V D 0.0000 Buried
100 G D 0.0000 Buried
101 F D 0.1387 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 0.0621 Aggregation-prone
109 Q D -1.3161 Soluble
114 T D -0.7384 Soluble
115 P D -1.0346 Soluble
116 Y D 0.0000 Buried
117 T D -0.2959 Soluble
118 F D -0.0185 Soluble
119 G D 0.0000 Buried
120 Q D -1.3700 Soluble
121 G D 0.0000 Buried
122 T D 0.0000 Buried
123 K D -0.4293 Soluble
124 L D 0.0000 Buried
125 E D -1.0817 Soluble
126 I D 0.0000 Buried
127 K D -1.4921 Soluble
128 R D -0.9954 Soluble
129 T D 0.2545 Aggregation-prone
130 V D 1.2821 Aggregation-prone
131 A D 0.6735 Aggregation-prone
132 A D 0.3481 Aggregation-prone
133 P D 0.0317 Aggregation-prone
134 S D -0.2332 Soluble
135 V D 0.0000 Buried
136 F D 0.1077 Aggregation-prone
137 I D 0.1437 Aggregation-prone
138 F D 0.0000 Buried
139 P D -0.5782 Soluble
140 P D -0.8826 Soluble
141 S D -1.6821 Soluble
142 D D -3.0689 Soluble
143 E D -3.1992 Soluble
144 Q D 0.0000 Buried
145 L D -2.4273 Soluble
146 K D -2.9129 Soluble
147 S D -1.8200 Soluble
148 G D -1.2856 Soluble
149 T D -0.9347 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 -0.3604 Soluble
158 N D -0.8090 Soluble
159 F D 0.0000 Buried
160 Y D 0.0000 Buried
161 P D -1.3694 Soluble
162 R D -2.7722 Soluble
163 E D -3.1269 Soluble
164 A D -2.3002 Soluble
165 K D -2.3527 Soluble
166 V D -1.1076 Soluble
167 Q D -0.4920 Soluble
168 W D 0.0000 Buried
169 K D -0.5054 Soluble
170 V D 0.0000 Buried
171 D D -2.0028 Soluble
172 N D -1.5468 Soluble
173 A D -0.2355 Soluble
174 L D 0.7575 Aggregation-prone
175 Q D -0.2460 Soluble
176 S D -0.5987 Soluble
177 G D -1.2364 Soluble
178 N D -1.5111 Soluble
179 S D -1.4637 Soluble
180 Q D -1.5818 Soluble
181 E D -1.9663 Soluble
182 S D -0.9630 Soluble
183 V D -0.6514 Soluble
184 T D -0.7040 Soluble
185 E D -1.2945 Soluble
186 Q D 0.0000 Buried
187 D D -1.7535 Soluble
188 S D -2.3615 Soluble
189 K D -2.7125 Soluble
190 D D -1.7882 Soluble
191 S D 0.0000 Buried
192 T D 0.0000 Buried
193 Y D 0.0000 Buried
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 -0.7794 Soluble
199 L D 0.0000 Buried
200 T D -0.7039 Soluble
201 L D -0.9601 Soluble
202 S D -1.2465 Soluble
203 K D -2.2872 Soluble
204 A D -2.1477 Soluble
205 D D -2.9280 Soluble
206 Y D 0.0000 Buried
207 E D -3.7991 Soluble
208 K D -3.7685 Soluble
209 H D -3.3068 Soluble
210 K D -3.3544 Soluble
211 V D -1.8457 Soluble
212 Y D 0.0000 Buried
213 A D 0.0000 Buried
214 C D 0.0000 Buried
215 E D -0.5004 Soluble
216 V D 0.0000 Buried
217 T D -1.0667 Soluble
218 Q D -1.4059 Soluble
219 G D -1.1126 Soluble
220 T D -0.4435 Soluble
221 T D -0.2392 Soluble
222 S D -0.3220 Soluble
223 V D 0.3037 Aggregation-prone
224 T D -0.3052 Soluble
225 K D -0.7319 Soluble
226 S D -0.7929 Soluble
227 F D -1.0454 Soluble
228 N D -2.2661 Soluble
229 R D -2.5589 Soluble
230 G D -1.8083 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
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 -0.7383 3.1765 CSV PDB
4.5 -0.7865 3.1765 CSV PDB
5.0 -0.845 3.1765 CSV PDB
5.5 -0.9034 3.1765 CSV PDB
6.0 -0.9504 3.1765 CSV PDB
6.5 -0.9765 3.1764 CSV PDB
7.0 -0.98 3.1764 CSV PDB
7.5 -0.967 3.1763 CSV PDB
8.0 -0.9446 3.1761 CSV PDB
8.5 -0.9148 3.1753 CSV PDB
9.0 -0.8776 3.1728 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH