Dinutuximab / 4trp

A4DAB086_4trp_H_L | Source PDB: 4trp | Chains: H, L | Done
95.14
Yes
10 Å
Yes
Avg A4D Score
-0.7177
Max Score
1.4802
Min Score
-4.0145
Total Score
-297.84
Score CDR
-0.4224
Score non-CDR
-0.7509

Calculation Parameters

Chain Sequence(s) EVQLLQSGPELEKPGAVMISCKASGSYNMNWVRQNIGKSLEWIGAIDPYYGGTSYNQKFKGRATLTVDKSSSTAYMHLKSLTSEDSAVYYCVSGMEYWGQGTSVTVSSAKTTAPSVYPLAPVSSVTLGCLVKGYFPEPTLTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVTSSTWPSQSITCNVAHPASSTKVDKKIEPRDVVMTQTPLSLPVSLGDQASISCRSSQSLVHRNGNTYLHWYLQKPGPKLLIHKVSNRFSGVPDRFSGSGSGTDFTLKISRVEAEDLGVYFCSQSTHVPPLTFGAGTKLELKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNYTEATHKTSTSPIVKSFNRNE 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 -4.0145
Maximum Score 1.4802
Average Score -0.7177
Total Score -297.8415

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

Index Residue Chain A4D Score Classification
1 E H -2.2744 Soluble
2 V H -1.4825 Soluble
3 Q H -1.7981 Soluble
4 L H 0.0000 Buried
5 L H -0.2018 Soluble
6 Q H 0.0000 Buried
7 S H -0.4270 Soluble
8 G H -0.7049 Soluble
9 P H -0.5286 Soluble
11 E H -0.2134 Soluble
12 L H 0.0925 Aggregation-prone
13 E H -1.0750 Soluble
14 K H -2.2246 Soluble
15 P H -1.8574 Soluble
16 G H -1.5334 Soluble
17 A H -1.3362 Soluble
19 V H 0.0000 Buried
20 M H 0.3637 Aggregation-prone
21 I H 0.0000 Buried
22 S H 0.0117 Aggregation-prone
23 C H 0.0000 Buried
24 K H -1.3274 Soluble
25 A H -0.9924 Soluble
26 S H -1.2004 Soluble
27 G H -1.3521 Soluble
28 S H -0.8424 Soluble
37 Y H 0.6743 Aggregation-prone
38 N H -0.6125 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 -0.0179 Soluble
46 I H 1.1677 Aggregation-prone
47 G H -0.1011 Soluble
48 K H -0.7354 Soluble
49 S H -0.4463 Soluble
50 L H 0.0000 Buried
51 E H -0.6242 Soluble
52 W H 0.0000 Buried
53 I H 0.0000 Buried
54 G H 0.0000 Buried
55 A H -0.5266 Soluble
56 I H 0.0000 Buried
57 D H 0.0937 Aggregation-prone
58 P H 0.1855 Aggregation-prone
59 Y H 1.3793 Aggregation-prone
62 Y H 1.4802 Aggregation-prone
63 G H 0.1272 Aggregation-prone
64 G H -0.2575 Soluble
65 T H -0.4010 Soluble
66 S H -0.4349 Soluble
67 Y H -1.0464 Soluble
68 N H -1.8127 Soluble
69 Q H -2.8341 Soluble
70 K H -2.9514 Soluble
71 F H 0.0000 Buried
72 K H -2.9608 Soluble
74 G H -2.3123 Soluble
75 R H -2.2169 Soluble
76 A H 0.0000 Buried
77 T H -0.7075 Soluble
78 L H 0.0000 Buried
79 T H -0.3162 Soluble
80 V H -0.4213 Soluble
81 D H -1.5620 Soluble
82 K H -1.8247 Soluble
83 S H -1.3565 Soluble
84 S H -1.3299 Soluble
85 S H -1.5251 Soluble
86 T H 0.0000 Buried
87 A H 0.0000 Buried
88 Y H 0.1686 Aggregation-prone
89 M H 0.0000 Buried
90 H H -0.3702 Soluble
91 L H 0.0000 Buried
92 K H -2.0897 Soluble
93 S H -1.6230 Soluble
94 L H 0.0000 Buried
95 T H -1.5282 Soluble
96 S H -1.6162 Soluble
97 E H -1.7729 Soluble
98 D H 0.0000 Buried
99 S H -0.3010 Soluble
100 A H 0.0000 Buried
101 V H 0.3873 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 -0.3189 Soluble
115 M H -0.4903 Soluble
116 E H -0.9524 Soluble
117 Y H -1.0223 Soluble
118 W H -0.6061 Soluble
119 G H 0.0000 Buried
120 Q H -1.1605 Soluble
121 G H -0.4725 Soluble
122 T H 0.0000 Buried
123 S H -0.1816 Soluble
124 V H 0.0000 Buried
125 T H -0.4685 Soluble
126 V H 0.0000 Buried
127 S H 0.0000 Buried
128 S H -1.4190 Soluble
129 A H -1.4189 Soluble
130 K H -2.0453 Soluble
131 T H -0.9668 Soluble
132 T H -0.4740 Soluble
133 A H -0.5093 Soluble
134 P H -0.1980 Soluble
135 S H -0.1970 Soluble
136 V H -0.2470 Soluble
137 Y H -0.3329 Soluble
138 P H -0.9747 Soluble
139 L H 0.0000 Buried
140 A H 0.0000 Buried
141 P H 0.2171 Aggregation-prone
142 V H 0.8910 Aggregation-prone
143 S H -0.3484 Soluble
144 S H -0.2797 Soluble
145 V H -0.0144 Soluble
146 T H 0.0361 Aggregation-prone
147 L H 0.0000 Buried
148 G H 0.0000 Buried
149 C H 0.0000 Buried
150 L H 0.0000 Buried
151 V H 0.0000 Buried
152 K H -0.1611 Soluble
153 G H -0.2459 Soluble
154 Y H 0.0000 Buried
155 F H 0.0000 Buried
156 P H -0.6944 Soluble
157 E H -0.9114 Soluble
158 P H -0.8519 Soluble
160 T H -0.3855 Soluble
161 L H -0.3238 Soluble
162 T H -0.4302 Soluble
163 W H 0.0000 Buried
164 N H -1.0330 Soluble
165 S H -0.7948 Soluble
166 G H -0.5955 Soluble
167 S H -0.4861 Soluble
168 L H -0.2198 Soluble
169 S H -0.3711 Soluble
170 S H -0.5022 Soluble
171 G H -0.2596 Soluble
172 V H 0.1288 Aggregation-prone
173 H H 0.0000 Buried
174 T H 0.1168 Aggregation-prone
175 F H 0.0000 Buried
176 P H -0.1180 Soluble
177 A H 0.1058 Aggregation-prone
178 V H 0.3563 Aggregation-prone
179 L H 0.1104 Aggregation-prone
180 Q H -0.6647 Soluble
181 S H -0.8046 Soluble
182 D H -1.2670 Soluble
183 L H -0.5068 Soluble
184 Y H 0.0000 Buried
185 T H 0.0000 Buried
186 L H 0.2339 Aggregation-prone
187 S H 0.0000 Buried
188 S H 0.0000 Buried
189 S H 0.0000 Buried
190 V H 0.0000 Buried
191 T H 0.0203 Aggregation-prone
192 V H 0.0074 Aggregation-prone
193 T H -0.2270 Soluble
194 S H -0.4035 Soluble
195 S H -0.6095 Soluble
196 T H -0.6770 Soluble
197 W H 0.0000 Buried
198 P H -1.2282 Soluble
199 S H -1.0186 Soluble
200 Q H -1.4725 Soluble
201 S H -1.4240 Soluble
202 I H 0.0000 Buried
203 T H -1.5939 Soluble
204 C H 0.0000 Buried
205 N H -1.4415 Soluble
206 V H 0.0000 Buried
207 A H -0.9605 Soluble
208 H H 0.0000 Buried
209 P H -0.8003 Soluble
210 A H -0.3844 Soluble
211 S H -0.4705 Soluble
212 S H -0.6868 Soluble
213 T H -0.9109 Soluble
214 K H -1.9603 Soluble
215 V H -1.4643 Soluble
216 D H -2.4999 Soluble
217 K H -1.9751 Soluble
218 K H -2.5528 Soluble
219 I H 0.0000 Buried
220 E H -2.8697 Soluble
221 P H -1.7857 Soluble
222 R H -2.0924 Soluble
1 D L -1.3319 Soluble
2 V L 0.0000 Buried
3 V L 0.8528 Aggregation-prone
4 M L 0.0000 Buried
5 T L -0.3278 Soluble
6 Q L 0.0000 Buried
7 T L 0.0416 Aggregation-prone
8 P L 0.5352 Aggregation-prone
9 L L 1.3418 Aggregation-prone
10 S L 0.3406 Aggregation-prone
11 L L 0.1312 Aggregation-prone
12 P L -0.7333 Soluble
13 V L 0.0000 Buried
14 S L -1.1098 Soluble
15 L L -0.5368 Soluble
16 G L -1.3656 Soluble
17 D L -2.0167 Soluble
18 Q L -2.7247 Soluble
19 A L 0.0000 Buried
20 S L -1.1164 Soluble
21 I L 0.0000 Buried
22 S L -1.0298 Soluble
23 C L 0.0000 Buried
24 R L -2.5765 Soluble
25 S L 0.0000 Buried
26 S L -0.9490 Soluble
27 Q L -1.3727 Soluble
28 S L -0.9932 Soluble
29 L L 0.0000 Buried
30 V L -0.4879 Soluble
31 H L -1.6041 Soluble
32 R L -2.6712 Soluble
34 N L -2.4953 Soluble
35 G L -1.7566 Soluble
36 N L -1.2611 Soluble
37 T L -0.7135 Soluble
38 Y L -0.1948 Soluble
39 L L 0.0000 Buried
40 H L -0.6643 Soluble
41 W L 0.0000 Buried
42 Y L 0.0000 Buried
43 L L 0.0000 Buried
44 Q L -1.1925 Soluble
45 K L -1.6648 Soluble
46 P L -1.3230 Soluble
47 G L -0.9626 Soluble
50 P L -1.1766 Soluble
51 K L -1.4954 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 H L -1.2662 Soluble
56 K L -1.2104 Soluble
57 V L -0.9226 Soluble
65 S L -1.2442 Soluble
66 N L -1.7260 Soluble
67 R L -2.1993 Soluble
68 F L -1.1541 Soluble
69 S L -0.9210 Soluble
70 G L -0.9505 Soluble
71 V L 0.0000 Buried
72 P L -1.4638 Soluble
74 D L -2.4041 Soluble
75 R L -2.4363 Soluble
76 F L 0.0000 Buried
77 S L -1.7159 Soluble
78 G L -1.2391 Soluble
79 S L -1.1465 Soluble
80 G L -1.3307 Soluble
83 S L -1.0669 Soluble
84 G L -1.0762 Soluble
85 T L -1.8802 Soluble
86 D L -2.8906 Soluble
87 F L 0.0000 Buried
88 T L -1.3276 Soluble
89 L L 0.0000 Buried
90 K L -2.2674 Soluble
91 I L 0.0000 Buried
92 S L -2.6355 Soluble
93 R L -3.0856 Soluble
94 V L 0.0000 Buried
95 E L -2.1019 Soluble
96 A L -1.1001 Soluble
97 E L -2.2345 Soluble
98 D L 0.0000 Buried
99 L L -0.7855 Soluble
100 G L 0.0000 Buried
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 0.2367 Aggregation-prone
108 T L 0.0000 Buried
109 H L -0.0089 Soluble
113 V L 0.9440 Aggregation-prone
114 P L 0.1037 Aggregation-prone
115 P L 0.0000 Buried
116 L L 0.0000 Buried
117 T L 0.2204 Aggregation-prone
118 F L 0.4135 Aggregation-prone
119 G L 0.0000 Buried
120 A L 0.1509 Aggregation-prone
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -0.1987 Soluble
124 L L 0.0000 Buried
125 E L -0.6935 Soluble
126 L L -0.7797 Soluble
127 K L -2.0693 Soluble
128 R L -2.0230 Soluble
129 A L -1.5358 Soluble
130 D L -2.5568 Soluble
131 A L -1.3634 Soluble
132 A L -0.6790 Soluble
133 P L 0.0000 Buried
134 T L -0.2636 Soluble
135 V L 0.0000 Buried
136 S L 0.0216 Aggregation-prone
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L -0.0988 Soluble
140 P L 0.0000 Buried
141 S L 0.0000 Buried
142 S L -0.8167 Soluble
143 E L -0.9223 Soluble
144 Q L 0.0000 Buried
145 L L -0.6004 Soluble
146 T L -0.5337 Soluble
147 S L -0.5970 Soluble
148 G L -0.9355 Soluble
149 G L -0.8605 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 -0.7517 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -2.3251 Soluble
162 K L -2.5855 Soluble
163 D L -2.7971 Soluble
164 I L -1.7900 Soluble
165 N L -1.7103 Soluble
166 V L -0.8256 Soluble
167 K L -1.9800 Soluble
168 W L 0.0000 Buried
169 K L -2.3098 Soluble
170 I L 0.0000 Buried
171 D L -2.9966 Soluble
172 G L -2.0370 Soluble
173 S L -2.3473 Soluble
174 E L -3.2628 Soluble
175 R L -2.5935 Soluble
176 Q L -2.1683 Soluble
178 G L -0.7277 Soluble
179 V L -0.4817 Soluble
180 L L -0.0468 Soluble
181 N L 0.0712 Aggregation-prone
182 S L 0.0000 Buried
183 W L 0.0141 Aggregation-prone
184 T L -0.9059 Soluble
185 D L -2.0964 Soluble
186 Q L -1.7651 Soluble
187 D L -1.8418 Soluble
188 S L -1.6664 Soluble
189 K L -2.2439 Soluble
190 D L -1.7017 Soluble
191 S L -1.8671 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 -0.2154 Soluble
201 L L 0.0000 Buried
202 T L -1.4567 Soluble
203 K L -2.4411 Soluble
204 D L -3.4304 Soluble
205 E L -2.8289 Soluble
206 Y L 0.0000 Buried
207 E L -4.0145 Soluble
208 R L -3.8328 Soluble
209 H L -3.0987 Soluble
210 N L -2.9283 Soluble
212 Y L 0.0000 Buried
213 T L -1.2903 Soluble
215 E L -0.8160 Soluble
216 A L 0.0000 Buried
217 T L -1.0533 Soluble
218 H L 0.0000 Buried
219 K L -2.4634 Soluble
220 T L -1.2806 Soluble
221 S L -0.7013 Soluble
222 T L -0.5877 Soluble
223 S L -0.3754 Soluble
224 P L -0.2068 Soluble
225 I L 0.3941 Aggregation-prone
226 V L 0.3663 Aggregation-prone
227 K L -0.8197 Soluble
228 S L -0.6834 Soluble
229 F L 0.0000 Buried
230 N L -2.4459 Soluble
231 R L -2.4428 Soluble
232 N L -3.0267 Soluble
233 E L -2.7008 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 -0.7624 2.2273 CSV PDB
4.5 -0.8106 2.1789 CSV PDB
5.0 -0.8669 2.1269 CSV PDB
5.5 -0.9205 2.0738 CSV PDB
6.0 -0.9598 2.0203 CSV PDB
6.5 -0.9763 1.9669 CSV PDB
7.0 -0.969 1.9874 CSV PDB
7.5 -0.9448 2.0819 CSV PDB
8.0 -0.9105 2.1833 CSV PDB
8.5 -0.8678 2.2864 CSV PDB
9.0 -0.8162 2.3879 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH