Dinutuximab / 4tul

A4DAB086_4tul_H_L | Source PDB: 4tul | Chains: H, L | Done
95.14
Yes
10 Å
Yes
Avg A4D Score
-0.6654
Max Score
1.5571
Min Score
-3.8163
Total Score
-282.14
Score CDR
-0.2931
Score non-CDR
-0.7096

Calculation Parameters

Chain Sequence(s) VQLLQSGPELEKPGASVMISCKASGSFTGYNMNWVRQNIGKSLEWIGAIDPYYGGTSYNQKFKGRATLTVDKSSSTAYMHLKSLTSEDSAVYYCVSGMEYWGQGTSVTVSSAKTTAPSVYPLAPVCSSVTLGCLVKGYFPEPVTLTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVTSSTWPSQSITCNVAHPASSTKVDKKIEPRDVVMTQTPLSLPVSLGDQASISCRSSQSLVHRNGNTYLHWYLQKPGQSPKLLIHKVSNRFSGVPDRFSGSGSGTDFTLKISRVEAEDLGVYFCSQSTHVPPLTFGAGTKLELKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRN 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 -3.8163
Maximum Score 1.5571
Average Score -0.6654
Total Score -282.1414

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

Index Residue Chain A4D Score Classification
2 V H 1.1021 Aggregation-prone
3 Q H -0.3074 Soluble
4 L H 0.0000 Buried
5 L H -0.0399 Soluble
6 Q H 0.0000 Buried
7 S H -0.4084 Soluble
8 G H -0.8513 Soluble
9 P H -0.7847 Soluble
11 E H -0.6239 Soluble
12 L H -0.6831 Soluble
13 E H -1.6120 Soluble
14 K H -2.5027 Soluble
15 P H -1.7730 Soluble
16 G H -1.4309 Soluble
17 A H -1.2104 Soluble
18 S H -0.9549 Soluble
19 V H 0.0000 Buried
20 M H 0.6097 Aggregation-prone
21 I H 0.0000 Buried
22 S H 0.1217 Aggregation-prone
23 C H 0.0000 Buried
24 K H -0.6809 Soluble
25 A H -0.2606 Soluble
26 S H -0.1999 Soluble
27 G H -0.0775 Soluble
28 S H 0.0012 Aggregation-prone
29 F H -0.1145 Soluble
30 T H 0.1370 Aggregation-prone
36 G H -0.1994 Soluble
37 Y H 0.0002 Aggregation-prone
38 N H -0.8719 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 0.1536 Aggregation-prone
46 I H 1.3115 Aggregation-prone
47 G H 0.1308 Aggregation-prone
48 K H -0.2997 Soluble
49 S H -0.2306 Soluble
50 L H 0.0000 Buried
51 E H -0.5730 Soluble
52 W H 0.0000 Buried
53 I H 0.0000 Buried
54 G H 0.0000 Buried
55 A H -0.4780 Soluble
56 I H 0.0000 Buried
57 D H -0.3065 Soluble
58 P H 0.0000 Buried
59 Y H 1.3134 Aggregation-prone
62 Y H 1.5571 Aggregation-prone
63 G H 0.2207 Aggregation-prone
64 G H -0.3818 Soluble
65 T H -0.4799 Soluble
66 S H -0.5400 Soluble
67 Y H -1.0611 Soluble
68 N H -1.8002 Soluble
69 Q H -2.8044 Soluble
70 K H -2.9124 Soluble
71 F H 0.0000 Buried
72 K H -2.8980 Soluble
74 G H -1.9974 Soluble
75 R H -1.8306 Soluble
76 A H 0.0000 Buried
77 T H -0.5654 Soluble
78 L H 0.0000 Buried
79 T H -0.3467 Soluble
80 V H -0.2975 Soluble
81 D H -1.2364 Soluble
82 K H -1.4604 Soluble
83 S H -1.1081 Soluble
84 S H -0.9957 Soluble
85 S H -0.9974 Soluble
86 T H -0.7107 Soluble
87 A H 0.0000 Buried
88 Y H 0.2164 Aggregation-prone
89 M H 0.0000 Buried
90 H H -0.2096 Soluble
91 L H 0.0000 Buried
92 K H -1.3084 Soluble
93 S H -1.2105 Soluble
94 L H 0.0000 Buried
95 T H -1.4892 Soluble
96 S H -1.5195 Soluble
97 E H -1.7679 Soluble
98 D H 0.0000 Buried
99 S H -0.3178 Soluble
100 A H 0.0000 Buried
101 V H 0.4238 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 -0.3849 Soluble
115 M H 0.0000 Buried
116 E H -0.1547 Soluble
117 Y H 0.0132 Aggregation-prone
118 W H 0.0000 Buried
119 G H 0.0000 Buried
120 Q H -1.4349 Soluble
121 G H -0.6806 Soluble
122 T H 0.0000 Buried
123 S H -0.3358 Soluble
124 V H 0.0000 Buried
125 T H -0.7831 Soluble
126 V H 0.0000 Buried
127 S H 0.0000 Buried
128 S H -1.5140 Soluble
129 A H -1.4384 Soluble
130 K H -2.0194 Soluble
131 T H -0.8594 Soluble
132 T H -0.4643 Soluble
133 A H -0.4566 Soluble
134 P H -0.2391 Soluble
135 S H -0.3059 Soluble
136 V H 0.0000 Buried
137 Y H -0.6664 Soluble
138 P H 0.0000 Buried
139 L H 0.0000 Buried
140 A H 0.0000 Buried
141 P H 0.0213 Aggregation-prone
142 V H 0.6199 Aggregation-prone
143 C H 0.3282 Aggregation-prone
144 S H -0.3892 Soluble
145 S H -0.3394 Soluble
146 V H -0.0770 Soluble
147 T H -0.0099 Soluble
148 L H 0.0000 Buried
149 G H 0.0000 Buried
150 C H 0.0000 Buried
151 L H 0.0000 Buried
152 V H 0.0000 Buried
153 K H -0.2741 Soluble
154 G H -0.2338 Soluble
155 Y H 0.0000 Buried
156 F H 0.0000 Buried
157 P H 0.0000 Buried
158 E H -1.0029 Soluble
159 P H -0.8260 Soluble
160 V H -0.4133 Soluble
161 T H -0.3314 Soluble
162 L H -0.0942 Soluble
163 T H -0.4221 Soluble
164 W H 0.0000 Buried
165 N H -1.0408 Soluble
166 S H -0.7838 Soluble
167 G H -0.5799 Soluble
168 S H -0.4769 Soluble
169 L H -0.2351 Soluble
170 S H -0.3934 Soluble
171 S H -0.3708 Soluble
172 G H -0.3137 Soluble
173 V H 0.0699 Aggregation-prone
174 H H -0.1214 Soluble
175 T H 0.1159 Aggregation-prone
176 F H 0.0000 Buried
177 P H -0.0806 Soluble
178 A H 0.0952 Aggregation-prone
179 V H 0.3261 Aggregation-prone
180 L H -0.0056 Soluble
181 Q H -0.7005 Soluble
182 S H -0.7738 Soluble
183 D H -1.2950 Soluble
184 L H -0.4851 Soluble
185 Y H 0.0000 Buried
186 T H 0.0000 Buried
187 L H 0.1787 Aggregation-prone
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 -0.0983 Soluble
193 V H 0.0000 Buried
194 T H -0.3507 Soluble
195 S H -0.6199 Soluble
196 S H -0.6500 Soluble
197 T H -0.7515 Soluble
198 W H 0.0000 Buried
199 P H -1.2418 Soluble
200 S H -1.0321 Soluble
201 Q H -1.5000 Soluble
202 S H -1.4336 Soluble
203 I H 0.0000 Buried
204 T H -1.6547 Soluble
205 C H 0.0000 Buried
206 N H -1.5396 Soluble
207 V H 0.0000 Buried
208 A H -0.9371 Soluble
209 H H 0.0000 Buried
210 P H -0.7582 Soluble
211 A H -0.3301 Soluble
212 S H -0.4275 Soluble
213 S H -0.6688 Soluble
214 T H -0.9051 Soluble
215 K H -2.0030 Soluble
216 V H -1.6449 Soluble
217 D H -2.6568 Soluble
218 K H -2.2668 Soluble
219 K H -2.6220 Soluble
220 I H 0.0000 Buried
221 E H -2.8470 Soluble
222 P H -1.8158 Soluble
223 R H -1.7734 Soluble
1 D L -1.3558 Soluble
2 V L 0.0000 Buried
3 V L 0.8365 Aggregation-prone
4 M L 0.0000 Buried
5 T L -0.3213 Soluble
6 Q L 0.0000 Buried
7 T L 0.0035 Aggregation-prone
8 P L 0.3366 Aggregation-prone
9 L L 0.8932 Aggregation-prone
10 S L 0.2272 Aggregation-prone
11 L L -0.0254 Soluble
12 P L -0.7426 Soluble
13 V L 0.0000 Buried
14 S L -1.0951 Soluble
15 L L -0.5113 Soluble
16 G L -1.8101 Soluble
17 D L -2.0863 Soluble
18 Q L -2.3235 Soluble
19 A L 0.0000 Buried
20 S L -0.7768 Soluble
21 I L 0.0000 Buried
22 S L -0.9061 Soluble
23 C L 0.0000 Buried
24 R L -2.4646 Soluble
25 S L 0.0000 Buried
26 S L -0.9093 Soluble
27 Q L -1.2398 Soluble
28 S L -0.7768 Soluble
29 L L 0.0000 Buried
30 V L 0.1477 Aggregation-prone
31 H L -1.1830 Soluble
32 R L -2.4649 Soluble
34 N L -2.3393 Soluble
35 G L -1.5270 Soluble
36 N L -1.0541 Soluble
37 T L -0.4342 Soluble
38 Y L -0.0981 Soluble
39 L L 0.0000 Buried
40 H L -0.6871 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 -1.5086 Soluble
46 P L -1.4489 Soluble
47 G L -1.4180 Soluble
48 Q L -2.0419 Soluble
49 S L -1.4166 Soluble
50 P L 0.0000 Buried
51 K L -1.1573 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 H L -1.2471 Soluble
56 K L -1.4109 Soluble
57 V L -0.9451 Soluble
65 S L -1.1410 Soluble
66 N L -1.6754 Soluble
67 R L -1.8645 Soluble
68 F L -0.8399 Soluble
69 S L -0.5817 Soluble
70 G L -0.8057 Soluble
71 V L -1.0098 Soluble
72 P L -1.3241 Soluble
74 D L -2.2436 Soluble
75 R L -2.1374 Soluble
76 F L 0.0000 Buried
77 S L -1.2204 Soluble
78 G L 0.0000 Buried
79 S L -0.9582 Soluble
80 G L -1.1752 Soluble
83 S L -0.8974 Soluble
84 G L -0.7523 Soluble
85 T L -1.7226 Soluble
86 D L -2.8091 Soluble
87 F L 0.0000 Buried
88 T L -1.0523 Soluble
89 L L 0.0000 Buried
90 K L -1.4361 Soluble
91 I L 0.0000 Buried
92 S L -2.5853 Soluble
93 R L -3.0692 Soluble
94 V L 0.0000 Buried
95 E L -2.6064 Soluble
96 A L -1.5238 Soluble
97 E L -2.3907 Soluble
98 D L 0.0000 Buried
99 L L -0.8322 Soluble
100 G L -0.8859 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 0.1685 Aggregation-prone
108 T L 0.0000 Buried
109 H L -0.0872 Soluble
113 V L 0.6956 Aggregation-prone
114 P L 0.0061 Aggregation-prone
115 P L 0.0000 Buried
116 L L 0.1010 Aggregation-prone
117 T L 0.1218 Aggregation-prone
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 A L 0.1118 Aggregation-prone
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -0.4322 Soluble
124 L L 0.0000 Buried
125 E L -0.7289 Soluble
126 L L -1.0595 Soluble
127 K L -2.0579 Soluble
128 R L -2.0555 Soluble
129 A L -1.5266 Soluble
130 D L -2.4710 Soluble
131 A L -1.2985 Soluble
132 A L -0.7028 Soluble
133 P L 0.0000 Buried
134 T L -0.2670 Soluble
135 V L 0.0000 Buried
136 S L -0.0647 Soluble
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L -0.0635 Soluble
140 P L 0.0000 Buried
141 S L 0.0000 Buried
142 S L -0.8759 Soluble
143 E L -1.1652 Soluble
144 Q L 0.0000 Buried
145 L L -0.6308 Soluble
146 T L -0.5861 Soluble
147 S L -0.7007 Soluble
148 G L -1.2539 Soluble
149 G L -1.0159 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 -0.7752 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.9784 Soluble
162 K L -1.9483 Soluble
163 D L -2.4299 Soluble
164 I L -1.5959 Soluble
165 N L -1.7789 Soluble
166 V L -0.8560 Soluble
167 K L -2.0114 Soluble
168 W L 0.0000 Buried
169 K L -2.1423 Soluble
170 I L 0.0000 Buried
171 D L -2.4087 Soluble
172 G L -1.7924 Soluble
173 S L -2.1033 Soluble
174 E L -3.2574 Soluble
175 R L -2.7049 Soluble
176 Q L -2.6790 Soluble
177 N L -2.1356 Soluble
178 G L -1.0299 Soluble
179 V L -0.7237 Soluble
180 L L 0.0000 Buried
181 N L 0.0549 Aggregation-prone
182 S L 0.0000 Buried
183 W L 0.3693 Aggregation-prone
184 T L -0.7359 Soluble
185 D L -1.9640 Soluble
186 Q L -1.7387 Soluble
187 D L -2.0440 Soluble
188 S L -1.7759 Soluble
189 K L -2.3487 Soluble
190 D L -1.9420 Soluble
191 S L -1.9709 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 -0.3967 Soluble
201 L L 0.0000 Buried
202 T L -1.5572 Soluble
203 K L -2.5104 Soluble
204 D L -3.5289 Soluble
205 E L -3.1050 Soluble
206 Y L 0.0000 Buried
207 E L -3.8163 Soluble
208 R L -3.7155 Soluble
209 H L -2.9989 Soluble
210 N L -2.6870 Soluble
211 S L -1.8677 Soluble
212 Y L 0.0000 Buried
213 T L -1.1643 Soluble
214 C L 0.0000 Buried
215 E L -0.8163 Soluble
216 A L 0.0000 Buried
217 T L -1.0935 Soluble
218 H L 0.0000 Buried
219 K L -2.3799 Soluble
220 T L -1.2944 Soluble
221 S L -0.7320 Soluble
222 T L -0.6076 Soluble
223 S L -0.4167 Soluble
224 P L -0.3516 Soluble
225 I L 0.3838 Aggregation-prone
226 V L 0.3968 Aggregation-prone
227 K L -0.6752 Soluble
228 S L -0.7977 Soluble
229 F L 0.0000 Buried
230 N L -2.1316 Soluble
231 R L -2.0563 Soluble
232 N L -2.1224 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 -0.6606 2.9146 CSV PDB
4.5 -0.7078 2.8293 CSV PDB
5.0 -0.7616 2.7348 CSV PDB
5.5 -0.8123 2.6385 CSV PDB
6.0 -0.8498 2.544 CSV PDB
6.5 -0.8666 2.4523 CSV PDB
7.0 -0.8629 2.3633 CSV PDB
7.5 -0.8454 2.2964 CSV PDB
8.0 -0.8198 2.3498 CSV PDB
8.5 -0.7868 2.4036 CSV PDB
9.0 -0.7452 2.4531 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH