Dinutuximab / 4tuk

A4DAB086_4tuk_H_L | Source PDB: 4tuk | Chains: H, L | Done
95.14
Yes
10 Å
Yes
Avg A4D Score
-0.6549
Max Score
1.5375
Min Score
-3.9982
Total Score
-275.73
Score CDR
-0.3192
Score non-CDR
-0.6961

Calculation Parameters

Chain Sequence(s) VQLLQSGPELEKPGAVMISCKASGSSFTGYNMNWVRQNIGKSLEWIGAIDPYYGGTSYNQKFKGRATLTVDKSSSTAYMHLKSLTSEDSAVYYCVSGMEYWGQGTSVTVSSAKTTAPSVYPLAPVGSSVTLGCLVKGYFPEPVTLTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVTSSTWPSQSITCNVAHPASSTKVDKKIEPRDVVMTQTPLSLPVSLGDQASISCRSSQSLVHRNGNTYLHWYLQKPGQSPKLLIHKVSNRFSGVPDRFSGSGSGTDFTLKISRVEAEDLGVYFCSQSTHVPPLTFGAGTKLELKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRN input.pdb
Selected Chain(s) H (Heavy), L (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 -3.9982
Maximum Score 1.5375
Average Score -0.6549
Total Score -275.7281

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

Index Residue Chain A4D Score Classification
2 V H 0.7403 Aggregation-prone
3 Q H -0.4957 Soluble
4 L H 0.0000 Buried
5 L H 0.0506 Aggregation-prone
6 Q H 0.0000 Buried
7 S H -0.3202 Soluble
8 G H -0.7122 Soluble
9 P H -0.5217 Soluble
11 E H -0.0786 Soluble
12 L H -0.0479 Soluble
13 E H -0.9886 Soluble
14 K H -2.1716 Soluble
15 P H -1.7025 Soluble
16 G H -1.5039 Soluble
17 A H -1.2679 Soluble
19 V H -0.0178 Soluble
20 M H 0.7885 Aggregation-prone
22 S H 0.2169 Aggregation-prone
23 C H 0.0000 Buried
24 K H -0.6640 Soluble
25 A H -0.3393 Soluble
26 S H -0.3175 Soluble
27 G H -0.2398 Soluble
28 S H -0.2159 Soluble
29 S H -0.0670 Soluble
30 F H -0.3458 Soluble
35 T H 0.0662 Aggregation-prone
36 G H -0.3012 Soluble
37 Y H -0.1989 Soluble
38 N H -0.8534 Soluble
39 M H 0.0000 Buried
40 N H 0.0000 Buried
41 W H 0.0000 Buried
42 V H 0.0000 Buried
43 R H 0.0000 Buried
44 Q H 0.0000 Buried
45 N H 0.0335 Aggregation-prone
46 I H 1.2285 Aggregation-prone
47 G H 0.0668 Aggregation-prone
48 K H -0.3829 Soluble
49 S H -0.3178 Soluble
50 L H 0.0000 Buried
51 E H -0.5749 Soluble
52 W H 0.0000 Buried
53 I H 0.0000 Buried
54 G H 0.0000 Buried
55 A H -0.4054 Soluble
56 I H 0.0000 Buried
57 D H -0.1018 Soluble
58 P H 0.0000 Buried
59 Y H 1.3633 Aggregation-prone
62 Y H 1.5375 Aggregation-prone
63 G H 0.2118 Aggregation-prone
64 G H 0.0063 Aggregation-prone
65 T H -0.2569 Soluble
66 S H -0.5017 Soluble
67 Y H -1.1294 Soluble
68 N H -1.7442 Soluble
69 Q H -2.8536 Soluble
70 K H -2.9386 Soluble
71 F H 0.0000 Buried
72 K H -3.0148 Soluble
74 G H -2.1149 Soluble
75 R H -2.1618 Soluble
76 A H 0.0000 Buried
77 T H -0.6320 Soluble
78 L H 0.0000 Buried
79 T H -0.2992 Soluble
80 V H -0.4062 Soluble
81 D H -1.6553 Soluble
82 K H -1.8048 Soluble
83 S H -1.3469 Soluble
84 S H -1.1636 Soluble
85 S H -1.1782 Soluble
86 T H 0.0000 Buried
87 A H 0.0000 Buried
88 Y H 0.3638 Aggregation-prone
89 M H 0.0000 Buried
90 H H -0.1144 Soluble
91 L H 0.0000 Buried
92 K H -1.9705 Soluble
93 S H -1.5148 Soluble
94 L H 0.0000 Buried
95 T H -1.5478 Soluble
96 S H -1.5943 Soluble
97 E H -1.7769 Soluble
98 D H 0.0000 Buried
99 S H -0.2834 Soluble
100 A H 0.0000 Buried
101 V H 0.3065 Aggregation-prone
102 Y H 0.0000 Buried
103 Y H 0.0000 Buried
104 C H 0.0000 Buried
105 V H 0.0000 Buried
106 S H 0.0000 Buried
107 G H -0.4317 Soluble
115 M H 0.0000 Buried
116 E H -0.2397 Soluble
117 Y H -0.0758 Soluble
118 W H -0.3616 Soluble
119 G H 0.0000 Buried
120 Q H -1.3898 Soluble
121 G H -0.6330 Soluble
122 T H -0.3985 Soluble
123 S H -0.2157 Soluble
124 V H 0.0000 Buried
125 T H -0.4000 Soluble
126 V H 0.0000 Buried
127 S H 0.0000 Buried
128 S H -1.3981 Soluble
129 A H -1.3948 Soluble
130 K H -1.9401 Soluble
131 T H -0.9463 Soluble
132 T H -0.4771 Soluble
133 A H -0.4976 Soluble
134 P H -0.0732 Soluble
135 S H -0.2379 Soluble
136 V H 0.0000 Buried
137 Y H -0.4124 Soluble
138 P H -0.8600 Soluble
139 L H 0.0000 Buried
140 A H 0.0000 Buried
141 P H 0.1739 Aggregation-prone
142 V H 0.8742 Aggregation-prone
143 G H -0.6163 Soluble
144 S H -0.5501 Soluble
145 S H -0.3971 Soluble
146 V H -0.0985 Soluble
147 T H 0.0499 Aggregation-prone
148 L H 0.0000 Buried
149 G H 0.0000 Buried
151 L H 0.0000 Buried
152 V H 0.0000 Buried
153 K H -0.2090 Soluble
154 G H -0.2271 Soluble
155 Y H 0.0000 Buried
156 F H 0.0000 Buried
157 P H -0.5629 Soluble
158 E H -0.6673 Soluble
159 P H -0.6522 Soluble
160 V H -0.3481 Soluble
161 T H -0.2850 Soluble
162 L H -0.2792 Soluble
163 T H -0.4321 Soluble
164 W H 0.0000 Buried
165 N H -1.1776 Soluble
166 S H -0.8225 Soluble
167 G H -0.6015 Soluble
168 S H -0.5090 Soluble
169 L H -0.2324 Soluble
170 S H -0.3814 Soluble
171 S H -0.5125 Soluble
172 G H -0.4112 Soluble
173 V H 0.1526 Aggregation-prone
174 H H 0.0000 Buried
175 T H 0.1431 Aggregation-prone
176 F H 0.0000 Buried
177 P H -0.1026 Soluble
178 A H 0.1448 Aggregation-prone
179 V H 0.3908 Aggregation-prone
180 L H 0.1762 Aggregation-prone
181 Q H -0.5495 Soluble
182 S H -0.7583 Soluble
183 D H -1.2061 Soluble
184 L H -0.4733 Soluble
185 Y H 0.0000 Buried
186 T H 0.0000 Buried
187 L H 0.0000 Buried
188 S H 0.0000 Buried
189 S H 0.0000 Buried
190 S H 0.0000 Buried
191 V H 0.0000 Buried
192 T H 0.0243 Aggregation-prone
193 V H 0.0466 Aggregation-prone
194 T H -0.2805 Soluble
195 S H -0.4433 Soluble
196 S H -0.5649 Soluble
197 T H -0.6812 Soluble
198 W H 0.0000 Buried
199 P H -1.1902 Soluble
200 S H -1.0424 Soluble
201 Q H -1.5178 Soluble
202 S H -1.5908 Soluble
203 I H 0.0000 Buried
204 T H 0.0000 Buried
205 C H 0.0000 Buried
206 N H -1.5777 Soluble
207 V H 0.0000 Buried
208 A H -0.9421 Soluble
209 H H 0.0000 Buried
210 P H -0.7386 Soluble
211 A H -0.3150 Soluble
212 S H -0.4604 Soluble
213 S H -0.6877 Soluble
214 T H -0.9316 Soluble
215 K H -2.0321 Soluble
216 V H -1.7175 Soluble
217 D H -2.7307 Soluble
218 K H -2.2695 Soluble
219 K H -2.9002 Soluble
220 I H 0.0000 Buried
221 E H -2.9637 Soluble
222 P H -1.9760 Soluble
223 R H -2.0159 Soluble
1 D L -1.3629 Soluble
2 V L 0.0000 Buried
3 V L 0.7972 Aggregation-prone
4 M L 0.0000 Buried
5 T L -0.3351 Soluble
6 Q L -0.2314 Soluble
7 T L -0.0742 Soluble
8 P L 0.4908 Aggregation-prone
9 L L 1.3080 Aggregation-prone
10 S L 0.4250 Aggregation-prone
11 L L 0.0986 Aggregation-prone
12 P L -0.7343 Soluble
13 V L 0.0000 Buried
14 S L -1.0814 Soluble
15 L L -0.6191 Soluble
16 G L -1.4124 Soluble
17 D L -2.1176 Soluble
18 Q L -2.6538 Soluble
19 A L 0.0000 Buried
20 S L -0.8759 Soluble
21 I L 0.0000 Buried
22 S L -0.9445 Soluble
23 C L 0.0000 Buried
24 R L -2.1931 Soluble
25 S L 0.0000 Buried
26 S L -0.7668 Soluble
27 Q L -1.0476 Soluble
28 S L -0.6064 Soluble
29 L L 0.0000 Buried
30 V L -0.0056 Soluble
31 H L -1.3389 Soluble
32 R L -2.5233 Soluble
34 N L -2.3946 Soluble
35 G L -1.6207 Soluble
36 N L -1.1486 Soluble
37 T L -0.5421 Soluble
38 Y L -0.1135 Soluble
39 L L 0.0000 Buried
40 H L -0.6518 Soluble
41 W L 0.0000 Buried
42 Y L 0.0000 Buried
43 L L 0.0000 Buried
44 Q L 0.0000 Buried
45 K L -1.5780 Soluble
46 P L -1.4771 Soluble
47 G L -1.4348 Soluble
48 Q L -2.0605 Soluble
49 S L -1.4113 Soluble
50 P L 0.0000 Buried
51 K L -1.2006 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 H L -1.2694 Soluble
56 K L -1.2515 Soluble
57 V L -0.9332 Soluble
65 S L -1.2053 Soluble
66 N L -1.7883 Soluble
67 R L -2.3440 Soluble
68 F L -1.1881 Soluble
69 S L -0.7381 Soluble
70 G L -0.9745 Soluble
71 V L 0.0000 Buried
72 P L -1.4245 Soluble
74 D L -2.3404 Soluble
75 R L -2.3446 Soluble
76 F L 0.0000 Buried
77 S L -1.4547 Soluble
78 G L 0.0000 Buried
79 S L -0.7623 Soluble
80 G L -0.9422 Soluble
83 S L -0.6516 Soluble
84 G L -0.6058 Soluble
85 T L -1.2592 Soluble
86 D L -1.8478 Soluble
87 F L 0.0000 Buried
88 T L -0.9112 Soluble
89 L L 0.0000 Buried
90 K L -1.6123 Soluble
91 I L 0.0000 Buried
92 S L -2.5040 Soluble
93 R L -3.0357 Soluble
94 V L 0.0000 Buried
95 E L -2.3781 Soluble
96 A L -1.2076 Soluble
97 E L -2.1686 Soluble
98 D L 0.0000 Buried
99 L L -0.7190 Soluble
100 G L -0.9169 Soluble
101 V L 0.0000 Buried
102 Y L 0.0000 Buried
103 F L 0.0000 Buried
104 C L 0.0000 Buried
105 S L 0.0000 Buried
106 Q L 0.0000 Buried
107 S L 0.1384 Aggregation-prone
108 T L 0.0000 Buried
109 H L -0.0840 Soluble
113 V L 0.6983 Aggregation-prone
114 P L -0.0407 Soluble
115 P L -0.5960 Soluble
116 L L 0.0000 Buried
117 T L 0.0727 Aggregation-prone
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 A L 0.1179 Aggregation-prone
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -0.3629 Soluble
124 L L 0.0000 Buried
125 E L -0.7173 Soluble
126 L L -0.7605 Soluble
127 K L -1.9733 Soluble
128 R L -1.9352 Soluble
129 A L -1.4680 Soluble
130 D L -2.4272 Soluble
131 A L -1.2599 Soluble
132 A L -0.6990 Soluble
133 P L 0.0000 Buried
134 T L -0.2425 Soluble
135 V L 0.0000 Buried
136 S L -0.1247 Soluble
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L 0.0000 Buried
140 P L 0.0000 Buried
141 S L 0.0000 Buried
142 S L -0.7413 Soluble
143 E L -0.8528 Soluble
144 Q L 0.0000 Buried
145 L L -0.8071 Soluble
146 T L -0.4961 Soluble
147 S L -0.5593 Soluble
148 G L -0.9788 Soluble
149 G L -0.8766 Soluble
150 A L 0.0000 Buried
151 S L 0.0000 Buried
152 V L 0.0000 Buried
153 V L 0.0000 Buried
154 C L 0.0000 Buried
155 F L 0.0000 Buried
156 L L 0.0000 Buried
157 N L 0.0000 Buried
158 N L -0.6697 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.8844 Soluble
162 K L -1.8635 Soluble
163 D L -2.4019 Soluble
164 I L -1.5931 Soluble
165 N L -1.7498 Soluble
166 V L -0.8213 Soluble
167 K L -1.9953 Soluble
168 W L 0.0000 Buried
169 K L -2.1969 Soluble
170 I L 0.0000 Buried
171 D L -2.6182 Soluble
172 G L -1.8963 Soluble
173 S L -2.2546 Soluble
174 E L -3.3687 Soluble
175 R L -2.9349 Soluble
176 Q L -2.7961 Soluble
177 N L -2.2135 Soluble
178 G L -1.1303 Soluble
179 V L -0.8094 Soluble
180 L L -0.1702 Soluble
181 N L 0.0838 Aggregation-prone
182 S L 0.0000 Buried
183 W L 0.3818 Aggregation-prone
184 T L -0.6762 Soluble
185 D L -1.9241 Soluble
186 Q L -1.6124 Soluble
187 D L -1.8531 Soluble
188 S L -1.7355 Soluble
189 K L -2.3328 Soluble
190 D L -1.8185 Soluble
191 S L -1.8251 Soluble
192 T L 0.0000 Buried
193 Y L 0.0000 Buried
194 S L 0.0000 Buried
195 M L 0.0000 Buried
196 S L 0.0000 Buried
197 S L 0.0000 Buried
198 T L 0.0000 Buried
199 L L 0.0000 Buried
200 T L -0.3349 Soluble
201 L L 0.0000 Buried
202 T L -1.6286 Soluble
203 K L -2.4707 Soluble
204 D L -3.4816 Soluble
205 E L -2.8797 Soluble
206 Y L 0.0000 Buried
207 E L -3.9982 Soluble
208 R L -3.8582 Soluble
209 H L -3.0241 Soluble
210 N L -2.6892 Soluble
211 S L -1.8865 Soluble
212 Y L 0.0000 Buried
213 T L -1.1399 Soluble
214 C L 0.0000 Buried
215 E L 0.0000 Buried
216 A L 0.0000 Buried
217 T L -0.9921 Soluble
218 H L 0.0000 Buried
219 K L -2.3916 Soluble
220 T L -1.3531 Soluble
221 S L -0.8118 Soluble
223 S L -0.3529 Soluble
224 P L -0.0833 Soluble
225 I L 0.6524 Aggregation-prone
226 V L 0.9037 Aggregation-prone
227 K L -0.3500 Soluble
228 S L -0.5215 Soluble
229 F L 0.0000 Buried
230 N L -2.0017 Soluble
231 R L -2.1038 Soluble
232 N L -2.0401 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 -0.7079 2.9574 CSV PDB
4.5 -0.7506 2.8736 CSV PDB
5.0 -0.7993 2.7792 CSV PDB
5.5 -0.8456 2.6812 CSV PDB
6.0 -0.88 2.5833 CSV PDB
6.5 -0.8944 2.4876 CSV PDB
7.0 -0.8878 2.395 CSV PDB
7.5 -0.8664 2.3057 CSV PDB
8.0 -0.8356 2.2358 CSV PDB
8.5 -0.7969 2.2983 CSV PDB
9.0 -0.7495 2.3593 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH