Dacetuzumab / 8yx9

A4DAB078_8yx9_G_I | Source PDB: 8yx9 | Chains: G, I | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7373
Max Score
1.4541
Min Score
-3.8278
Total Score
-314.11
Score CDR
-0.4814
Score non-CDR
-0.7683

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGYSFTGYYIHWVRQAPGKGLEWVARVIPNAGGTSYNQKFKGRFTLSVDNSKNTAYLQMNSLRAEDTAVYYCAREGIYWWGQGTLVTVSSASTKGPSVFPLAPSSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSDIQMTQSPSSLSASVGDRVTITCRSSQSLVHSNGNTFLHWYQQKPGKAPKLLIYTVSNRFSGVPSRFSGSGSGTDFTLTISSLQPEDFATYFCSQTTHVPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFN input.pdb
Selected Chain(s) G (Heavy), I (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 -3.8278
Maximum Score 1.4541
Average Score -0.7373
Total Score -314.1095

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

Index Residue Chain A4D Score Classification
1 E G -2.1170 Soluble
2 V G -1.3668 Soluble
3 Q G -1.1870 Soluble
4 L G -0.0858 Soluble
5 V G 0.5432 Aggregation-prone
6 E G 0.0000 Buried
7 S G -0.4137 Soluble
8 G G -0.9726 Soluble
9 G G -0.5278 Soluble
11 G G -0.2128 Soluble
12 L G 0.0885 Aggregation-prone
13 V G -0.5277 Soluble
14 Q G -1.5409 Soluble
15 P G -1.7109 Soluble
16 G G -1.5108 Soluble
17 G G -1.2482 Soluble
18 S G -1.4905 Soluble
19 L G -1.2790 Soluble
20 R G -2.2842 Soluble
21 L G 0.0000 Buried
22 S G -0.4024 Soluble
23 C G 0.0000 Buried
24 A G -0.3156 Soluble
25 A G -0.5648 Soluble
26 S G -1.0316 Soluble
27 G G -1.2916 Soluble
28 Y G -0.6544 Soluble
29 S G -0.3118 Soluble
30 F G 0.0000 Buried
35 T G -0.7405 Soluble
36 G G -0.5035 Soluble
37 Y G -0.0236 Soluble
38 Y G -0.1253 Soluble
39 I G 0.0000 Buried
40 H G 0.0000 Buried
41 W G 0.0000 Buried
42 V G 0.0000 Buried
43 R G 0.0000 Buried
44 Q G -0.8104 Soluble
45 A G -1.2488 Soluble
46 P G -1.3071 Soluble
47 G G -1.5980 Soluble
48 K G -2.4861 Soluble
49 G G -1.8008 Soluble
50 L G 0.0000 Buried
51 E G -0.7499 Soluble
52 W G 0.0000 Buried
53 V G 0.0000 Buried
54 A G 0.0000 Buried
55 R G -0.2473 Soluble
56 V G 0.0000 Buried
57 I G -0.2591 Soluble
58 P G 0.0000 Buried
59 N G -1.4947 Soluble
62 A G -0.7537 Soluble
63 G G -0.9207 Soluble
64 G G -0.6308 Soluble
65 T G -0.2235 Soluble
66 S G -0.3587 Soluble
67 Y G -0.9972 Soluble
68 N G -1.8437 Soluble
69 Q G -2.6735 Soluble
70 K G -2.9280 Soluble
71 F G 0.0000 Buried
72 K G -2.9288 Soluble
74 G G -2.1581 Soluble
75 R G -1.9797 Soluble
76 F G 0.0000 Buried
77 T G -1.0422 Soluble
78 L G 0.0000 Buried
79 S G -0.1901 Soluble
80 V G -0.6666 Soluble
81 D G -1.8604 Soluble
82 N G -2.4163 Soluble
83 S G -1.9419 Soluble
84 K G -2.6058 Soluble
85 N G -2.0223 Soluble
86 T G 0.0000 Buried
87 A G 0.0000 Buried
88 Y G -0.5160 Soluble
89 L G 0.0000 Buried
90 Q G -1.6054 Soluble
91 M G 0.0000 Buried
92 N G -2.2194 Soluble
93 S G -1.6365 Soluble
94 L G 0.0000 Buried
95 R G -2.4601 Soluble
96 A G -1.7393 Soluble
97 E G -2.2913 Soluble
98 D G 0.0000 Buried
99 T G -0.7833 Soluble
100 A G 0.0000 Buried
101 V G 0.1585 Aggregation-prone
102 Y G 0.0000 Buried
103 Y G 0.0000 Buried
104 C G 0.0000 Buried
105 A G 0.0000 Buried
106 R G -0.3096 Soluble
107 E G -0.5663 Soluble
108 G G -0.3043 Soluble
115 I G 0.0899 Aggregation-prone
116 Y G 0.2274 Aggregation-prone
117 W G 0.1620 Aggregation-prone
118 W G -0.3646 Soluble
119 G G -0.7365 Soluble
120 Q G -1.3069 Soluble
121 G G 0.0000 Buried
122 T G -0.1375 Soluble
123 L G 0.0584 Aggregation-prone
124 V G 0.0000 Buried
125 T G 0.0000 Buried
126 V G 0.0000 Buried
127 S G -0.9232 Soluble
128 S G -0.5903 Soluble
129 A G -0.3863 Soluble
130 S G -0.4837 Soluble
131 T G -0.6399 Soluble
132 K G -1.0669 Soluble
133 G G -1.2526 Soluble
134 P G 0.0000 Buried
135 S G -0.2958 Soluble
136 V G 0.0000 Buried
137 F G 0.0000 Buried
138 P G -1.1281 Soluble
139 L G 0.0000 Buried
140 A G -0.9529 Soluble
141 P G 0.0000 Buried
142 S G -0.7934 Soluble
143 S G -0.6061 Soluble
144 G G -0.6434 Soluble
145 T G -0.4423 Soluble
146 A G -0.2604 Soluble
147 A G 0.0000 Buried
148 L G 0.0000 Buried
149 G G 0.0000 Buried
150 C G 0.0000 Buried
151 L G 0.0000 Buried
152 V G 0.0000 Buried
153 K G 0.0000 Buried
154 D G -0.3051 Soluble
155 Y G 0.0000 Buried
156 F G 0.0000 Buried
157 P G 0.0000 Buried
158 E G -0.5320 Soluble
159 P G -0.6587 Soluble
160 V G -0.5994 Soluble
161 T G -0.5597 Soluble
162 V G -0.2099 Soluble
163 S G -0.4507 Soluble
164 W G 0.0000 Buried
165 N G -0.9372 Soluble
166 S G -0.7577 Soluble
167 G G -0.5646 Soluble
168 A G -0.2914 Soluble
169 L G -0.0874 Soluble
170 T G -0.2186 Soluble
171 S G -0.2099 Soluble
172 G G -0.2324 Soluble
173 V G 0.1064 Aggregation-prone
174 H G -0.2088 Soluble
175 T G 0.0134 Aggregation-prone
176 F G 0.0000 Buried
177 P G -0.2152 Soluble
178 A G 0.4790 Aggregation-prone
179 V G 0.5980 Aggregation-prone
180 L G 1.4541 Aggregation-prone
181 Q G 0.3156 Aggregation-prone
182 S G -0.0824 Soluble
183 S G -0.2061 Soluble
184 G G 0.0558 Aggregation-prone
185 L G 0.2512 Aggregation-prone
186 Y G 0.5934 Aggregation-prone
187 S G 0.3345 Aggregation-prone
188 L G 0.0000 Buried
189 S G 0.0000 Buried
190 S G 0.0000 Buried
191 V G 0.0000 Buried
192 V G 0.0000 Buried
193 T G -0.1295 Soluble
194 V G 0.0000 Buried
195 P G -0.5972 Soluble
196 S G -0.4910 Soluble
197 S G -0.6061 Soluble
198 S G -0.6938 Soluble
199 L G -0.8440 Soluble
200 G G -1.1934 Soluble
201 T G -1.0255 Soluble
202 Q G -1.5127 Soluble
203 T G -1.3176 Soluble
204 Y G 0.0000 Buried
205 I G -1.3456 Soluble
206 C G 0.0000 Buried
207 N G -1.4868 Soluble
208 V G 0.0000 Buried
209 N G -1.9162 Soluble
210 H G 0.0000 Buried
211 K G -2.7125 Soluble
212 P G -1.5346 Soluble
213 S G -1.7707 Soluble
214 N G -2.5635 Soluble
215 T G -1.9830 Soluble
216 K G -2.6925 Soluble
217 V G -1.7709 Soluble
218 D G -2.5805 Soluble
219 K G -2.0458 Soluble
220 K G -2.5665 Soluble
221 V G 0.0000 Buried
222 E G -2.8552 Soluble
223 P G -1.9558 Soluble
224 K G -2.5103 Soluble
225 S G -1.1029 Soluble
1 D I -2.1997 Soluble
2 I I 0.0000 Buried
3 Q I -2.0061 Soluble
4 M I 0.0000 Buried
5 T I -1.1919 Soluble
6 Q I 0.0000 Buried
7 S I -0.8313 Soluble
8 P I -0.7162 Soluble
9 S I -1.0160 Soluble
10 S I -0.9919 Soluble
11 L I -0.6725 Soluble
12 S I -0.7706 Soluble
13 A I -1.1930 Soluble
14 S I -1.2305 Soluble
15 V I -0.6067 Soluble
16 G I -1.2829 Soluble
17 D I -2.5387 Soluble
18 R I -2.7292 Soluble
19 V I 0.0000 Buried
20 T I -0.6859 Soluble
21 I I 0.0000 Buried
22 T I -0.6876 Soluble
23 C I 0.0000 Buried
24 R I -2.0465 Soluble
25 S I 0.0000 Buried
26 S I -1.6627 Soluble
27 Q I -1.4711 Soluble
28 S I -0.6544 Soluble
29 L I 0.0000 Buried
30 V I -0.1254 Soluble
31 H I -1.0438 Soluble
32 S I -1.1429 Soluble
34 N I -1.8761 Soluble
35 G I -1.5226 Soluble
36 N I -1.4408 Soluble
37 T I -0.4134 Soluble
38 F I 0.0660 Aggregation-prone
39 L I 0.0000 Buried
40 H I 0.0000 Buried
41 W I 0.0000 Buried
42 Y I 0.0000 Buried
43 Q I 0.0000 Buried
44 Q I -1.4265 Soluble
45 K I -1.7933 Soluble
46 P I -1.5154 Soluble
47 G I -1.6301 Soluble
48 K I -2.5625 Soluble
49 A I -1.7178 Soluble
50 P I 0.0000 Buried
51 K I -1.7339 Soluble
52 L I 0.0000 Buried
53 L I 0.0000 Buried
54 I I 0.0000 Buried
55 Y I 0.1394 Aggregation-prone
56 T I -0.1950 Soluble
57 V I -0.5916 Soluble
65 S I -0.8594 Soluble
66 N I -1.2841 Soluble
67 R I -1.2504 Soluble
68 F I -0.4517 Soluble
69 S I -0.5066 Soluble
70 G I -0.5469 Soluble
71 V I -0.5128 Soluble
72 P I -0.4402 Soluble
74 S I -0.5686 Soluble
75 R I -0.8346 Soluble
76 F I 0.0000 Buried
77 S I -0.5836 Soluble
78 G I 0.0000 Buried
79 S I -0.7969 Soluble
80 G I -1.1419 Soluble
83 S I -0.8837 Soluble
84 G I -0.7714 Soluble
85 T I -1.3412 Soluble
86 D I -2.0964 Soluble
87 F I 0.0000 Buried
88 T I -0.6936 Soluble
89 L I 0.0000 Buried
90 T I -0.5791 Soluble
91 I I 0.0000 Buried
92 S I -1.5779 Soluble
93 S I -1.4852 Soluble
94 L I 0.0000 Buried
95 Q I -1.0067 Soluble
96 P I -1.4852 Soluble
97 E I -1.7602 Soluble
98 D I 0.0000 Buried
99 F I -1.0045 Soluble
100 A I 0.0000 Buried
101 T I -1.0853 Soluble
102 Y I 0.0000 Buried
103 F I 0.0000 Buried
104 C I 0.0000 Buried
105 S I 0.0000 Buried
106 Q I 0.0000 Buried
107 T I -0.1092 Soluble
108 T I -0.2116 Soluble
109 H I -0.4987 Soluble
114 V I -0.0746 Soluble
115 P I -0.5425 Soluble
116 W I 0.0000 Buried
117 T I -0.8033 Soluble
118 F I -0.4901 Soluble
119 G I -0.9950 Soluble
120 Q I -1.7976 Soluble
121 G I -1.4312 Soluble
122 T I 0.0000 Buried
123 K I -2.0410 Soluble
124 V I 0.0000 Buried
125 E I -1.1527 Soluble
126 I I 0.0000 Buried
127 K I -1.2731 Soluble
128 R I -0.8282 Soluble
129 T I -0.0545 Soluble
130 V I 0.5898 Aggregation-prone
131 A I 0.1779 Aggregation-prone
132 A I -0.0476 Soluble
133 P I 0.0000 Buried
134 S I -0.0150 Soluble
135 V I 0.0000 Buried
136 F I -0.0613 Soluble
137 I I 0.0000 Buried
138 F I 0.0000 Buried
139 P I -0.4473 Soluble
140 P I 0.0000 Buried
141 S I 0.0000 Buried
142 D I -3.1921 Soluble
143 E I -3.1489 Soluble
144 Q I 0.0000 Buried
145 L I -2.3485 Soluble
146 K I -2.8059 Soluble
147 S I -1.7291 Soluble
148 G I -1.0817 Soluble
149 T I -0.8820 Soluble
150 A I 0.0000 Buried
151 S I 0.0000 Buried
152 V I 0.0000 Buried
153 V I 0.0000 Buried
154 C I 0.0000 Buried
155 L I 0.0000 Buried
156 L I 0.0000 Buried
157 N I 0.0000 Buried
158 N I -0.6269 Soluble
159 F I 0.0000 Buried
160 Y I 0.0000 Buried
161 P I -1.4842 Soluble
162 R I -2.2464 Soluble
163 E I -2.9901 Soluble
164 A I -2.1875 Soluble
165 K I -2.2891 Soluble
166 V I -1.2156 Soluble
167 Q I -0.6468 Soluble
168 W I 0.0000 Buried
169 K I -0.4897 Soluble
170 V I 0.0000 Buried
171 D I -2.0046 Soluble
172 N I -1.5197 Soluble
173 A I -0.2813 Soluble
174 L I 0.6940 Aggregation-prone
175 Q I -0.0899 Soluble
176 S I -0.4421 Soluble
177 G I -0.8621 Soluble
178 N I -0.7139 Soluble
179 S I -1.0675 Soluble
180 Q I -1.4017 Soluble
181 E I -1.8788 Soluble
182 S I -0.7128 Soluble
183 V I -0.3165 Soluble
184 T I -0.6228 Soluble
185 E I -1.3997 Soluble
186 Q I 0.0000 Buried
187 D I -1.7283 Soluble
188 S I -1.9892 Soluble
189 K I -2.4166 Soluble
190 D I -1.5952 Soluble
191 S I 0.0000 Buried
192 T I 0.0000 Buried
193 Y I 0.0000 Buried
194 S I 0.0000 Buried
195 L I 0.0000 Buried
196 S I 0.0000 Buried
197 S I 0.0000 Buried
198 T I -0.6765 Soluble
199 L I 0.0000 Buried
200 T I -0.2449 Soluble
201 L I -0.7308 Soluble
202 S I -1.2538 Soluble
203 K I -2.3948 Soluble
204 A I -2.2487 Soluble
205 D I -3.0865 Soluble
206 Y I -2.7025 Soluble
207 E I -3.7139 Soluble
208 K I -3.8278 Soluble
209 H I -3.1669 Soluble
210 K I -2.9830 Soluble
211 V I -1.3552 Soluble
212 Y I 0.0000 Buried
213 A I 0.0000 Buried
214 C I 0.0000 Buried
215 E I -0.9396 Soluble
216 V I 0.0000 Buried
217 T I -1.2571 Soluble
218 H I 0.0000 Buried
219 Q I -1.5362 Soluble
220 G I -0.4006 Soluble
221 L I -0.2018 Soluble
222 S I -0.4857 Soluble
223 S I -0.4025 Soluble
224 P I -0.5487 Soluble
225 V I 0.0090 Aggregation-prone
226 T I -0.5312 Soluble
227 K I -0.7646 Soluble
228 S I -0.6967 Soluble
229 F I -0.6463 Soluble
230 N I -1.6137 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
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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 -0.795 1.8492 CSV PDB
4.5 -0.8306 1.8278 CSV PDB
5.0 -0.8726 1.7997 CSV PDB
5.5 -0.9116 1.785 CSV PDB
6.0 -0.9368 1.7726 CSV PDB
6.5 -0.9397 1.7645 CSV PDB
7.0 -0.9199 1.7606 CSV PDB
7.5 -0.8852 1.7592 CSV PDB
8.0 -0.8427 1.7587 CSV PDB
8.5 -0.7951 1.7585 CSV PDB
9.0 -0.7424 1.7584 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH