Dinutuximab / 4tuj

A4DAB086_4tuj_A_B | Source PDB: 4tuj | Chains: A, B | Done
95.14
Yes
10 Å
Yes
Avg A4D Score
-0.6712
Max Score
1.529
Min Score
-4.2556
Total Score
-284.59
Score CDR
-0.274
Score non-CDR
-0.7195

Calculation Parameters

Chain Sequence(s) EVQLLQSGPELEKPGASVMISCKASGSSFTGYNMNWVRQNIGKSLEWIGAIDPYYGGTSYNQKFKGRATLTVDKSSSTAYMHLKSLTSEDSAVYYCVSGMEYWGQGTSVTVSSAKTTAPSVYPLAPVTGSSVTLGCLVKGYFPEPVTLTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVTSSTWPSQSITCNVAHPASSTKVDKKIEPDVVMTQTPLSLPVSLGDQASISCRSSQSLVHRNGNTYLHWYLQKPGQSPKLLIHKVSNRFSGVPDRFSGSGSGTDFTLKISRVEAEDLGVYFCSQSTHVPPLTFGAGTKLELKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNR 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 -4.2556
Maximum Score 1.529
Average Score -0.6712
Total Score -284.5897

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

Index Residue Chain A4D Score Classification
1 E A -1.9846 Soluble
2 V A -0.9548 Soluble
3 Q A -1.6736 Soluble
4 L A 0.0000 Buried
5 L A -0.4416 Soluble
6 Q A 0.0000 Buried
7 S A -0.5454 Soluble
8 G A -0.7838 Soluble
9 P A -0.5755 Soluble
11 E A -0.4432 Soluble
12 L A -0.2723 Soluble
13 E A -1.2438 Soluble
14 K A -2.2798 Soluble
15 P A -1.7879 Soluble
16 G A -1.4385 Soluble
17 A A -1.3279 Soluble
18 S A -1.0398 Soluble
19 V A 0.0000 Buried
20 M A 0.1840 Aggregation-prone
21 I A 0.0000 Buried
22 S A -0.0950 Soluble
23 C A 0.0000 Buried
24 K A -1.5222 Soluble
25 A A -0.7623 Soluble
26 S A -0.8347 Soluble
27 G A -0.9818 Soluble
28 S A -0.9959 Soluble
29 S A -0.2645 Soluble
30 F A 1.4679 Aggregation-prone
35 T A 1.1537 Aggregation-prone
36 G A 0.0000 Buried
37 Y A 1.3520 Aggregation-prone
38 N A -0.0038 Soluble
39 M A 0.0000 Buried
40 N A 0.0000 Buried
41 W A 0.0000 Buried
42 V A 0.0000 Buried
43 R A -0.4945 Soluble
44 Q A 0.0000 Buried
45 N A -0.4447 Soluble
46 I A 1.2179 Aggregation-prone
47 G A -0.1291 Soluble
48 K A -0.6594 Soluble
49 S A -0.5294 Soluble
50 L A 0.0000 Buried
51 E A -0.5655 Soluble
52 W A 0.0000 Buried
53 I A 0.0000 Buried
54 G A 0.0000 Buried
55 A A -0.1843 Soluble
56 I A 0.0000 Buried
57 D A 0.1388 Aggregation-prone
58 P A 0.1439 Aggregation-prone
59 Y A 1.2631 Aggregation-prone
62 Y A 1.2779 Aggregation-prone
63 G A -0.0112 Soluble
64 G A -0.2552 Soluble
65 T A -0.3040 Soluble
66 S A -0.0925 Soluble
67 Y A -0.3828 Soluble
68 N A 0.0000 Buried
69 Q A -2.4840 Soluble
70 K A -2.6730 Soluble
71 F A 0.0000 Buried
72 K A -2.8402 Soluble
74 G A -2.0420 Soluble
75 R A -1.9555 Soluble
76 A A 0.0000 Buried
77 T A -0.3219 Soluble
78 L A 0.0000 Buried
79 T A -0.2910 Soluble
80 V A -0.6179 Soluble
81 D A -1.6553 Soluble
82 K A -1.8885 Soluble
83 S A -1.3381 Soluble
84 S A -1.3023 Soluble
85 S A -1.4339 Soluble
86 T A -1.1598 Soluble
87 A A 0.0000 Buried
88 Y A 0.1587 Aggregation-prone
89 M A 0.0000 Buried
90 H A -0.2844 Soluble
91 L A 0.0000 Buried
92 K A -1.6241 Soluble
93 S A -1.3125 Soluble
94 L A 0.0000 Buried
95 T A -1.5155 Soluble
96 S A -1.5320 Soluble
97 E A -2.0656 Soluble
98 D A 0.0000 Buried
99 S A -0.5692 Soluble
100 A A -0.2542 Soluble
101 V A 0.0034 Aggregation-prone
102 Y A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 V A 0.0000 Buried
106 S A 0.0000 Buried
107 G A 0.2980 Aggregation-prone
115 M A -0.1433 Soluble
116 E A -0.5592 Soluble
117 Y A -0.7547 Soluble
118 W A -0.5112 Soluble
119 G A 0.0000 Buried
120 Q A -1.4066 Soluble
121 G A -0.7083 Soluble
122 T A 0.0000 Buried
123 S A -0.4865 Soluble
124 V A 0.0000 Buried
125 T A -0.6944 Soluble
126 V A 0.0000 Buried
127 S A -1.4180 Soluble
128 S A -1.5706 Soluble
129 A A -1.6111 Soluble
130 K A -2.1301 Soluble
131 T A -0.9798 Soluble
132 T A -0.4866 Soluble
133 A A -0.4648 Soluble
134 P A -0.0499 Soluble
135 S A -0.3917 Soluble
136 V A 0.0000 Buried
137 Y A 0.0000 Buried
138 P A -1.2133 Soluble
139 L A 0.0000 Buried
140 A A -0.3234 Soluble
141 P A 0.5836 Aggregation-prone
142 V A 1.5290 Aggregation-prone
143 T A -0.3149 Soluble
144 G A -0.6204 Soluble
145 S A -0.5094 Soluble
146 S A -0.3118 Soluble
147 V A -0.0474 Soluble
148 T A 0.0000 Buried
149 L A 0.0000 Buried
150 G A 0.0000 Buried
151 C A 0.0000 Buried
152 L A 0.0000 Buried
153 V A 0.0000 Buried
154 K A -0.2452 Soluble
155 G A -0.3175 Soluble
156 Y A 0.0000 Buried
157 F A 0.0000 Buried
158 P A -0.8639 Soluble
159 E A -0.9621 Soluble
160 P A -0.7771 Soluble
161 V A -0.3802 Soluble
162 T A -0.3088 Soluble
163 L A -0.2841 Soluble
164 T A -0.4227 Soluble
165 W A 0.0000 Buried
166 N A -0.9770 Soluble
167 S A -0.7533 Soluble
168 G A -0.5090 Soluble
169 S A -0.4520 Soluble
170 L A -0.1512 Soluble
171 S A -0.3659 Soluble
172 S A -0.5000 Soluble
173 G A -0.2983 Soluble
174 V A 0.0530 Aggregation-prone
175 H A -0.2241 Soluble
176 T A 0.0232 Aggregation-prone
177 F A 0.0000 Buried
178 P A -0.1256 Soluble
179 A A 0.1639 Aggregation-prone
180 V A 0.4998 Aggregation-prone
181 L A 0.2370 Aggregation-prone
182 Q A -0.6133 Soluble
183 S A -1.1845 Soluble
184 D A -1.8852 Soluble
185 L A -0.7961 Soluble
186 Y A -0.1325 Soluble
187 T A 0.0000 Buried
188 L A 0.0000 Buried
189 S A 0.0000 Buried
190 S A 0.0000 Buried
191 S A 0.0000 Buried
192 V A 0.0000 Buried
193 T A 0.0158 Aggregation-prone
194 V A 0.0681 Aggregation-prone
195 T A -0.2121 Soluble
196 S A -0.3705 Soluble
197 S A -0.4392 Soluble
198 T A -0.4556 Soluble
199 W A 0.0000 Buried
200 P A -1.0607 Soluble
201 S A -0.7246 Soluble
202 Q A -0.8607 Soluble
203 S A -1.1995 Soluble
204 I A 0.0000 Buried
205 T A -1.5622 Soluble
206 C A 0.0000 Buried
207 N A -1.5085 Soluble
208 V A 0.0000 Buried
209 A A -0.9647 Soluble
210 H A 0.0000 Buried
211 P A -0.7583 Soluble
212 A A -0.3479 Soluble
213 S A -0.4587 Soluble
214 S A -0.6938 Soluble
215 T A -0.9176 Soluble
216 K A -2.0145 Soluble
217 V A -1.6443 Soluble
218 D A -2.5542 Soluble
219 K A -1.9733 Soluble
220 K A -2.4494 Soluble
221 I A 0.0000 Buried
222 E A -2.4054 Soluble
223 P A -1.0938 Soluble
1 D B -1.3830 Soluble
2 V B 0.0000 Buried
3 V B 0.8700 Aggregation-prone
4 M B 0.0000 Buried
5 T B -0.0423 Soluble
6 Q B 0.0000 Buried
7 T B 0.1558 Aggregation-prone
8 P B 0.5509 Aggregation-prone
9 L B 1.3796 Aggregation-prone
10 S B 0.5591 Aggregation-prone
11 L B 0.2477 Aggregation-prone
12 P B -0.5658 Soluble
13 V B 0.0000 Buried
14 S B -1.1730 Soluble
15 L B -0.8738 Soluble
16 G B -1.7438 Soluble
17 D B -2.1735 Soluble
18 Q B -2.5908 Soluble
19 A B 0.0000 Buried
20 S B -0.8736 Soluble
21 I B 0.0000 Buried
22 S B -0.6782 Soluble
23 C B 0.0000 Buried
24 R B -1.6727 Soluble
25 S B 0.0000 Buried
26 S B -0.8803 Soluble
27 Q B -1.5124 Soluble
28 S B -0.9152 Soluble
29 L B 0.0000 Buried
30 V B -0.2501 Soluble
31 H B -1.5081 Soluble
32 R B -2.6082 Soluble
34 N B -2.4454 Soluble
35 G B -1.6590 Soluble
36 N B -1.1568 Soluble
37 T B -0.5935 Soluble
38 Y B -0.1775 Soluble
39 L B 0.0000 Buried
40 H B -0.6947 Soluble
41 W B 0.0000 Buried
42 Y B 0.0000 Buried
43 L B 0.0000 Buried
44 Q B 0.0000 Buried
45 K B -1.5088 Soluble
46 P B -1.2515 Soluble
47 G B -1.3055 Soluble
48 Q B -1.7254 Soluble
50 P B 0.0000 Buried
51 K B -0.9200 Soluble
52 L B 0.0000 Buried
53 L B 0.0000 Buried
54 I B 0.0000 Buried
55 H B -1.3089 Soluble
56 K B -1.2966 Soluble
57 V B -0.9249 Soluble
65 S B -1.1504 Soluble
66 N B -1.6057 Soluble
67 R B -2.0823 Soluble
68 F B -0.9816 Soluble
69 S B -0.8709 Soluble
70 G B -0.8521 Soluble
71 V B -1.0329 Soluble
72 P B -1.3054 Soluble
74 D B -2.2066 Soluble
75 R B -2.1292 Soluble
76 F B 0.0000 Buried
77 S B -1.1831 Soluble
78 G B 0.0000 Buried
79 S B -0.9083 Soluble
80 G B -1.0941 Soluble
83 S B -0.8112 Soluble
84 G B -0.8258 Soluble
85 T B -1.4410 Soluble
86 D B -2.1817 Soluble
87 F B 0.0000 Buried
88 T B -0.9157 Soluble
89 L B 0.0000 Buried
90 K B -1.4469 Soluble
91 I B 0.0000 Buried
92 S B -2.3366 Soluble
93 R B -2.9668 Soluble
94 V B 0.0000 Buried
95 E B -1.9902 Soluble
96 A B -1.0526 Soluble
97 E B -2.0451 Soluble
98 D B 0.0000 Buried
99 L B -0.5425 Soluble
100 G B 0.0000 Buried
101 V B 0.0000 Buried
102 Y B 0.0000 Buried
103 F B 0.0000 Buried
104 C B 0.0000 Buried
105 S B 0.0000 Buried
106 Q B 0.0000 Buried
107 S B 0.0930 Aggregation-prone
108 T B 0.0000 Buried
109 H B -0.3253 Soluble
113 V B 0.7592 Aggregation-prone
114 P B 0.1539 Aggregation-prone
115 P B 0.0000 Buried
116 L B 0.0000 Buried
117 T B 0.0938 Aggregation-prone
118 F B 0.0000 Buried
119 G B 0.0000 Buried
120 A B 0.1393 Aggregation-prone
121 G B 0.0267 Aggregation-prone
122 T B 0.0000 Buried
123 K B 0.1065 Aggregation-prone
124 L B 0.0000 Buried
125 E B 0.0000 Buried
126 L B -0.7421 Soluble
127 K B -2.0263 Soluble
128 R B -2.0082 Soluble
129 A B -1.5436 Soluble
130 D B -2.5580 Soluble
131 A B -1.3570 Soluble
132 A B -0.6743 Soluble
133 P B 0.0000 Buried
134 T B -0.1897 Soluble
135 V B 0.0253 Aggregation-prone
136 S B 0.1695 Aggregation-prone
137 I B 0.0000 Buried
138 F B 0.0000 Buried
139 P B -0.2478 Soluble
140 P B 0.0000 Buried
141 S B -0.8696 Soluble
142 S B -1.0301 Soluble
143 E B -1.8528 Soluble
144 Q B 0.0000 Buried
145 L B -1.0792 Soluble
146 T B -0.8098 Soluble
147 S B -0.7920 Soluble
148 G B -1.0589 Soluble
149 G B -0.9531 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 F B 0.0000 Buried
156 L B 0.0000 Buried
157 N B 0.0000 Buried
158 N B -0.7379 Soluble
159 F B 0.0000 Buried
160 Y B 0.0000 Buried
161 P B -2.3088 Soluble
162 K B -2.6580 Soluble
163 D B -2.7876 Soluble
164 I B -1.7169 Soluble
165 N B -1.7438 Soluble
166 V B -0.7185 Soluble
167 K B -1.5953 Soluble
168 W B 0.0000 Buried
169 K B -2.3573 Soluble
170 I B 0.0000 Buried
171 D B -2.9556 Soluble
172 G B -1.9254 Soluble
173 S B -2.1954 Soluble
174 E B -3.3159 Soluble
175 R B -2.5700 Soluble
176 Q B -2.5879 Soluble
177 N B -2.1009 Soluble
178 G B -0.9688 Soluble
179 V B -0.5840 Soluble
180 L B -0.0933 Soluble
181 N B 0.0150 Aggregation-prone
182 S B 0.2797 Aggregation-prone
183 W B 0.1857 Aggregation-prone
184 T B -0.8624 Soluble
185 D B -2.0516 Soluble
186 Q B -1.7213 Soluble
187 D B -1.8758 Soluble
188 S B -1.6644 Soluble
189 K B -2.2125 Soluble
190 D B -1.6303 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 M B 0.0000 Buried
196 S B 0.0000 Buried
197 S B 0.0000 Buried
198 T B 0.0000 Buried
199 L B 0.0000 Buried
200 T B -0.2650 Soluble
201 L B 0.0000 Buried
202 T B -1.5614 Soluble
203 K B -2.3786 Soluble
204 D B -3.4386 Soluble
205 E B -2.8401 Soluble
206 Y B 0.0000 Buried
207 E B -4.2556 Soluble
208 R B -4.1921 Soluble
209 H B -3.6452 Soluble
210 N B -3.6586 Soluble
211 S B -2.4896 Soluble
212 Y B 0.0000 Buried
213 T B -1.2135 Soluble
214 C B 0.0000 Buried
215 E B -0.7024 Soluble
216 A B 0.0000 Buried
217 T B -1.0452 Soluble
218 H B 0.0000 Buried
219 K B -2.4913 Soluble
220 T B -1.3071 Soluble
221 S B -0.7330 Soluble
222 T B -0.6081 Soluble
223 S B -0.4161 Soluble
224 P B -0.4440 Soluble
225 I B 0.3413 Aggregation-prone
226 V B 0.3477 Aggregation-prone
227 K B -0.5681 Soluble
228 S B -0.7832 Soluble
229 F B 0.0000 Buried
230 N B -2.6393 Soluble
231 R B -3.4439 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
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 -0.6808 3.548 CSV PDB
4.5 -0.7283 3.4803 CSV PDB
5.0 -0.7832 3.4037 CSV PDB
5.5 -0.8352 3.3301 CSV PDB
6.0 -0.8733 3.2714 CSV PDB
6.5 -0.8898 3.2361 CSV PDB
7.0 -0.8849 3.2202 CSV PDB
7.5 -0.866 3.2144 CSV PDB
8.0 -0.8389 3.2124 CSV PDB
8.5 -0.8047 3.2115 CSV PDB
9.0 -0.7627 3.2105 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH