Dinutuximab / 4tuo

A4DAB086_4tuo_C_D | Source PDB: 4tuo | Chains: C, D | Done
95.14
Yes
10 Å
Yes
Avg A4D Score
-0.7042
Max Score
1.4325
Min Score
-3.9524
Total Score
-302.08
Score CDR
-0.3851
Score non-CDR
-0.7425

Calculation Parameters

Chain Sequence(s) QLLQSGPELEKPGASVMISCKASGSSFTGYNMNWVRQNIGKSLEWIGAIDPYYGGTSYNQKFKGRATLTVDKSSSTAYMHLKSLTSEDSAVYYCVSGMEYWGQGTSVTVSSAKTTAPSVYPLAPVCGDTTGSSVTLGCLVKGYFPEPVTLTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVTSSTWPSQSITCNVAHPASSTKVDKKIEPRDVVMTQTPLSLPVSLGDQASISCRSSQSLVHRNGNTYLHWYLQKPGQSPKLLIHKVSNRFSGVPDRFSGSGSGTDFTLKISRVEAEDLGVYFCSQSTHVPPLTFGAGTKLELKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRN 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 -3.9524
Maximum Score 1.4325
Average Score -0.7042
Total Score -302.082

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

Index Residue Chain A4D Score Classification
3 Q C -1.2227 Soluble
4 L C -0.5477 Soluble
5 L C -0.3422 Soluble
6 Q C 0.0000 Buried
7 S C -0.4142 Soluble
8 G C -0.7094 Soluble
9 P C -0.4069 Soluble
11 E C -0.1637 Soluble
12 L C -0.0449 Soluble
13 E C -1.3095 Soluble
14 K C -2.2455 Soluble
15 P C -1.7231 Soluble
16 G C -1.5274 Soluble
17 A C -1.4329 Soluble
18 S C -1.1693 Soluble
19 V C 0.0000 Buried
20 M C 0.4636 Aggregation-prone
21 I C 0.0000 Buried
22 S C 0.0444 Aggregation-prone
23 C C 0.0000 Buried
24 K C -1.1325 Soluble
25 A C -0.9072 Soluble
26 S C -0.9345 Soluble
27 G C -1.0167 Soluble
28 S C -0.7203 Soluble
29 S C -0.5713 Soluble
30 F C -0.5298 Soluble
35 T C 0.0675 Aggregation-prone
36 G C -0.1306 Soluble
37 Y C 0.1749 Aggregation-prone
38 N C -0.5430 Soluble
39 M C 0.0000 Buried
40 N 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 0.0000 Buried
45 N C -0.1399 Soluble
46 I C 1.0979 Aggregation-prone
47 G C -0.2932 Soluble
48 K C -1.1078 Soluble
49 S C -0.6747 Soluble
50 L C 0.0000 Buried
51 E C -0.4244 Soluble
52 W C 0.0000 Buried
53 I C 0.0000 Buried
54 G C 0.0000 Buried
55 A C 0.0000 Buried
56 I C 0.0000 Buried
57 D C -0.0770 Soluble
58 P C 0.0000 Buried
59 Y C 1.3498 Aggregation-prone
62 Y C 1.4325 Aggregation-prone
63 G C 0.2010 Aggregation-prone
64 G C -0.3276 Soluble
65 T C -0.4063 Soluble
66 S C -0.5550 Soluble
67 Y C -1.0815 Soluble
68 N C -1.8730 Soluble
69 Q C -2.8311 Soluble
70 K C -2.9038 Soluble
71 F C 0.0000 Buried
72 K C -2.9487 Soluble
74 G C -2.1438 Soluble
75 R C -2.2003 Soluble
76 A C 0.0000 Buried
77 T C -0.6871 Soluble
78 L C 0.0000 Buried
79 T C -0.3467 Soluble
80 V C -0.6036 Soluble
81 D C -1.6498 Soluble
82 K C -1.9460 Soluble
83 S C -1.3360 Soluble
84 S C -1.2584 Soluble
85 S C -1.3800 Soluble
86 T C -0.9916 Soluble
87 A C 0.0000 Buried
88 Y C 0.1946 Aggregation-prone
89 M C 0.0000 Buried
90 H C -0.2772 Soluble
91 L C 0.0000 Buried
92 K C -1.9707 Soluble
93 S C -1.5175 Soluble
94 L C 0.0000 Buried
95 T C -1.5566 Soluble
96 S C -1.7255 Soluble
97 E C -1.7032 Soluble
98 D C 0.0000 Buried
99 S C 0.0000 Buried
100 A C 0.0000 Buried
101 V C 0.3118 Aggregation-prone
102 Y C 0.0000 Buried
103 Y C 0.0000 Buried
104 C C 0.0000 Buried
105 V C 0.0000 Buried
106 S C 0.0000 Buried
107 G C -0.0295 Soluble
115 M C 0.0000 Buried
116 E C 0.1780 Aggregation-prone
117 Y C 0.5294 Aggregation-prone
118 W C -0.0209 Soluble
119 G C 0.0000 Buried
120 Q C -1.3280 Soluble
121 G C -0.7238 Soluble
122 T C 0.0000 Buried
123 S C -0.1669 Soluble
124 V C 0.0000 Buried
125 T C -0.4317 Soluble
126 V C 0.0000 Buried
127 S C 0.0000 Buried
128 S C -1.4209 Soluble
129 A C -1.3609 Soluble
130 K C -1.9535 Soluble
131 T C -1.0067 Soluble
132 T C -0.4847 Soluble
133 A C -0.5257 Soluble
134 P C 0.0000 Buried
135 S C -0.3833 Soluble
136 V C 0.0000 Buried
137 Y C -0.6198 Soluble
138 P C -1.3617 Soluble
139 L C 0.0000 Buried
140 A C 0.0000 Buried
141 P C -0.7097 Soluble
142 V C -0.5581 Soluble
143 C C -0.5127 Soluble
144 G C -1.1393 Soluble
145 D C -1.7983 Soluble
146 T C -1.0676 Soluble
147 T C -0.9708 Soluble
148 G C -0.9159 Soluble
149 S C -0.5781 Soluble
150 S C -0.4220 Soluble
151 V C -0.1222 Soluble
152 T C 0.0000 Buried
153 L C 0.0000 Buried
154 G C 0.0000 Buried
155 C C 0.0000 Buried
156 L C 0.0000 Buried
157 V C 0.0000 Buried
158 K C -0.3135 Soluble
159 G C -0.3750 Soluble
160 Y C 0.0000 Buried
161 F C 0.0000 Buried
162 P C -0.7787 Soluble
163 E C -1.0374 Soluble
164 P C -0.7964 Soluble
165 V C -0.4147 Soluble
166 T C -0.3141 Soluble
167 L C -0.3112 Soluble
168 T C -0.4289 Soluble
169 W C 0.0000 Buried
170 N C -1.0104 Soluble
171 S C -0.8123 Soluble
172 G C -0.5936 Soluble
173 S C -0.4916 Soluble
174 L C -0.2166 Soluble
175 S C -0.3836 Soluble
176 S C -0.3135 Soluble
177 G C -0.2559 Soluble
178 V C 0.1272 Aggregation-prone
179 H C -0.1029 Soluble
180 T C 0.1068 Aggregation-prone
181 F C 0.0000 Buried
182 P C -0.1220 Soluble
183 A C 0.0207 Aggregation-prone
184 V C 0.3509 Aggregation-prone
185 L C 0.0731 Aggregation-prone
186 Q C -1.0179 Soluble
187 S C -0.9198 Soluble
188 D C -1.1563 Soluble
189 L C -0.6299 Soluble
190 Y C -0.2313 Soluble
191 T C 0.0000 Buried
192 L C 0.0000 Buried
193 S C 0.0000 Buried
194 S C 0.0000 Buried
195 S C 0.0000 Buried
196 V C 0.0000 Buried
197 T C 0.0099 Aggregation-prone
198 V C 0.0464 Aggregation-prone
199 T C -0.2850 Soluble
200 S C -0.4466 Soluble
201 S C -0.5428 Soluble
202 T C -0.5920 Soluble
203 W C -0.8745 Soluble
204 P C -1.1527 Soluble
205 S C -0.9551 Soluble
206 Q C -1.4175 Soluble
207 S C -1.3576 Soluble
208 I C 0.0000 Buried
209 T C -1.5359 Soluble
210 C C 0.0000 Buried
211 N C -1.4894 Soluble
212 V C 0.0000 Buried
213 A C -0.9020 Soluble
214 H C 0.0000 Buried
215 P C -0.7621 Soluble
216 A C -0.5425 Soluble
217 S C -0.4573 Soluble
218 S C -0.6909 Soluble
219 T C -0.8963 Soluble
220 K C -2.0116 Soluble
221 V C -1.5688 Soluble
222 D C -2.5535 Soluble
223 K C -2.1792 Soluble
224 K C -2.4581 Soluble
225 I C 0.0000 Buried
226 E C -2.8306 Soluble
227 P C -1.9591 Soluble
228 R C -2.0739 Soluble
1 D D -1.4697 Soluble
2 V D 0.0000 Buried
3 V D 0.8833 Aggregation-prone
4 M D 0.0000 Buried
5 T D 0.0066 Aggregation-prone
6 Q D 0.0000 Buried
7 T D 0.1406 Aggregation-prone
8 P D 0.4515 Aggregation-prone
9 L D 1.2208 Aggregation-prone
10 S D 0.2091 Aggregation-prone
11 L D 0.1662 Aggregation-prone
12 P D -0.5146 Soluble
13 V D 0.0000 Buried
14 S D -1.0753 Soluble
15 L D -0.5137 Soluble
16 G D -1.5722 Soluble
17 D D -2.1465 Soluble
18 Q D -2.5683 Soluble
19 A D 0.0000 Buried
20 S D -0.8944 Soluble
21 I D 0.0000 Buried
22 S D -0.6782 Soluble
23 C D 0.0000 Buried
24 R D -1.6325 Soluble
25 S D 0.0000 Buried
26 S D -0.8729 Soluble
27 Q D -1.5036 Soluble
28 S D -0.9529 Soluble
29 L D 0.0000 Buried
30 V D -0.4613 Soluble
31 H D -1.5266 Soluble
32 R D -2.6407 Soluble
34 N D -2.4772 Soluble
35 G D -1.7285 Soluble
36 N D -1.2199 Soluble
37 T D -0.6461 Soluble
38 Y D -0.1194 Soluble
39 L D 0.0000 Buried
40 H 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 0.0000 Buried
45 K D -1.4817 Soluble
46 P D -1.2509 Soluble
47 G D -1.4416 Soluble
48 Q D -2.0810 Soluble
49 S D -1.3037 Soluble
50 P D 0.0000 Buried
51 K D -1.0643 Soluble
52 L D 0.0000 Buried
53 L D 0.0000 Buried
54 I D 0.0000 Buried
55 H D -0.9364 Soluble
56 K D -0.9663 Soluble
57 V D -0.7490 Soluble
65 S D -0.9917 Soluble
66 N D -1.3526 Soluble
67 R D -1.6314 Soluble
68 F D -0.7463 Soluble
69 S D -0.5926 Soluble
70 G D -0.8615 Soluble
71 V D 0.0000 Buried
72 P D -1.3525 Soluble
74 D D -2.2396 Soluble
75 R D -2.1296 Soluble
76 F D 0.0000 Buried
77 S D -1.1906 Soluble
78 G D -0.8227 Soluble
79 S D -0.8064 Soluble
80 G D -1.0717 Soluble
83 S D -0.8383 Soluble
84 G D -0.8939 Soluble
85 T D -1.4866 Soluble
86 D D -2.2195 Soluble
87 F D 0.0000 Buried
88 T D -0.8909 Soluble
89 L D 0.0000 Buried
90 K D -1.3838 Soluble
91 I D 0.0000 Buried
92 S D -2.4609 Soluble
93 R D -2.9710 Soluble
94 V D 0.0000 Buried
95 E D -2.3736 Soluble
96 A D -1.1658 Soluble
97 E D -2.2087 Soluble
98 D D 0.0000 Buried
99 L D -0.4831 Soluble
100 G D 0.0000 Buried
101 V D -0.0813 Soluble
102 Y D 0.0000 Buried
103 F D 0.0000 Buried
104 C D 0.0000 Buried
105 S D 0.0000 Buried
106 Q D 0.0000 Buried
107 S D 0.0689 Aggregation-prone
108 T D -0.4251 Soluble
109 H D -0.3505 Soluble
113 V D 0.3288 Aggregation-prone
114 P D -0.2819 Soluble
115 P D -0.7730 Soluble
116 L D 0.0000 Buried
117 T D 0.1194 Aggregation-prone
118 F D 0.4351 Aggregation-prone
119 G D 0.0000 Buried
120 A D 0.2132 Aggregation-prone
121 G D 0.0435 Aggregation-prone
122 T D 0.0000 Buried
123 K D 0.0785 Aggregation-prone
124 L D 0.0000 Buried
125 E D 0.0000 Buried
126 L D -0.7197 Soluble
127 K D -2.0433 Soluble
128 R D -2.0580 Soluble
129 A D -1.5557 Soluble
130 D D -2.5668 Soluble
131 A D -1.3643 Soluble
132 A D -0.7106 Soluble
133 P D 0.0000 Buried
134 T D -0.2236 Soluble
135 V D 0.0000 Buried
136 S D -0.1336 Soluble
137 I D 0.0000 Buried
138 F D 0.0000 Buried
139 P D -0.3066 Soluble
140 P D 0.0000 Buried
141 S D 0.0000 Buried
142 S D -1.3152 Soluble
143 E D -1.9276 Soluble
144 Q D 0.0000 Buried
145 L D -1.1240 Soluble
146 T D -0.8779 Soluble
147 S D -0.8166 Soluble
148 G D -1.1210 Soluble
149 G D -1.0021 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 F D 0.0000 Buried
156 L D 0.0000 Buried
157 N D 0.0000 Buried
158 N D -0.8075 Soluble
159 F D 0.0000 Buried
160 Y D 0.0000 Buried
161 P D -2.2654 Soluble
162 K D -2.5093 Soluble
163 D D -2.7427 Soluble
164 I D -1.7827 Soluble
165 N D -1.7973 Soluble
166 V D -0.7443 Soluble
167 K D -1.8254 Soluble
168 W D 0.0000 Buried
169 K D -2.2979 Soluble
170 I D 0.0000 Buried
171 D D -2.3953 Soluble
172 G D -1.9103 Soluble
173 S D -2.1916 Soluble
174 E D -3.3495 Soluble
175 R D -2.9551 Soluble
176 Q D -2.7974 Soluble
177 N D -2.2872 Soluble
178 G D -1.3042 Soluble
179 V D -0.7897 Soluble
180 L D -0.1037 Soluble
181 N D 0.1341 Aggregation-prone
182 S D 0.0000 Buried
183 W D 0.4694 Aggregation-prone
184 T D -0.5518 Soluble
185 D D -1.8357 Soluble
186 Q D -1.7072 Soluble
187 D D -2.0857 Soluble
188 S D -1.7616 Soluble
189 K D -2.2926 Soluble
190 D D -1.7728 Soluble
191 S D -1.9405 Soluble
192 T D 0.0000 Buried
193 Y D 0.0000 Buried
194 S D 0.0000 Buried
195 M D 0.0000 Buried
196 S D 0.0000 Buried
197 S D 0.0000 Buried
198 T D 0.0000 Buried
199 L D 0.0000 Buried
200 T D -0.3480 Soluble
201 L D 0.0000 Buried
202 T D -1.4409 Soluble
203 K D -2.4198 Soluble
204 D D -3.3168 Soluble
205 E D -2.7425 Soluble
206 Y D 0.0000 Buried
207 E D -3.9524 Soluble
208 R D -3.6199 Soluble
209 H D -2.9909 Soluble
210 N D -2.7800 Soluble
211 S D -1.8731 Soluble
212 Y D 0.0000 Buried
213 T D -1.2012 Soluble
214 C D 0.0000 Buried
215 E D -0.7157 Soluble
216 A D 0.0000 Buried
217 T D -0.9912 Soluble
218 H D 0.0000 Buried
219 K D -2.4812 Soluble
220 T D -1.3346 Soluble
221 S D -0.7489 Soluble
222 T D -0.6170 Soluble
223 S D -0.3607 Soluble
224 P D -0.3046 Soluble
225 I D 0.5017 Aggregation-prone
226 V D 0.4701 Aggregation-prone
227 K D -0.5607 Soluble
228 S D -0.7572 Soluble
229 F D -1.2461 Soluble
230 N D -2.1905 Soluble
231 R D -2.4263 Soluble
232 N D -2.2870 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
Downloads
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
Load structure at specific pH condition
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 -0.6923 3.2669 CSV PDB
4.5 -0.7404 3.1821 CSV PDB
5.0 -0.7946 3.0935 CSV PDB
5.5 -0.8456 3.0067 CSV PDB
6.0 -0.8826 2.9258 CSV PDB
6.5 -0.8978 2.8529 CSV PDB
7.0 -0.8915 2.7869 CSV PDB
7.5 -0.871 2.7268 CSV PDB
8.0 -0.8416 2.676 CSV PDB
8.5 -0.8043 2.6438 CSV PDB
9.0 -0.7577 2.6369 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH