Dacetuzumab / 8yx9

A4DAB078_8yx9_H_L | Source PDB: 8yx9 | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7212
Max Score
1.3578
Min Score
-3.3577
Total Score
-309.38
Score CDR
-0.4657
Score non-CDR
-0.7519

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGYSFTGYYIHWVRQAPGKGLEWVARVIPNAGGTSYNQKFKGRFTLSVDNSKNTAYLQMNSLRAEDTAVYYCAREGIYWWGQGTLVTVSSASTKGPSVFPLAPSSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSDIQMTQSPSSLSASVGDRVTITCRSSQSLVHSNGNTFLHWYQQKPGKAPKLLIYTVSNRFSGVPSRFSGSGSGTDFTLTISSLQPEDFATYFCSQTTHVPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG 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 -3.3577
Maximum Score 1.3578
Average Score -0.7212
Total Score -309.3823

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

Index Residue Chain A4D Score Classification
1 E H -2.2884 Soluble
2 V H 0.0000 Buried
3 Q H -1.3579 Soluble
4 L H -0.1401 Soluble
5 V H 1.2056 Aggregation-prone
6 E H 0.3952 Aggregation-prone
7 S H -0.2947 Soluble
8 G H -0.8999 Soluble
9 G H -0.4248 Soluble
11 G H -0.0984 Soluble
12 L H -0.0092 Soluble
13 V H -0.5900 Soluble
14 Q H -1.5767 Soluble
15 P H -1.6614 Soluble
16 G H -1.3990 Soluble
17 G H -1.0209 Soluble
18 S H -1.0048 Soluble
19 L H -0.8873 Soluble
20 R H -1.7859 Soluble
21 L H 0.0000 Buried
22 S H -0.1502 Soluble
23 C H 0.0000 Buried
24 A H -0.0971 Soluble
25 A H 0.0000 Buried
26 S H -1.2031 Soluble
27 G H -1.4700 Soluble
28 Y H -0.8263 Soluble
29 S H -0.3883 Soluble
30 F H 0.0000 Buried
35 T H -0.8397 Soluble
36 G H -0.5652 Soluble
37 Y H -0.0856 Soluble
38 Y H -0.2584 Soluble
39 I H 0.0000 Buried
40 H 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 -0.7652 Soluble
45 A H -1.2142 Soluble
46 P H -1.2819 Soluble
47 G H -1.6180 Soluble
48 K H -2.4718 Soluble
49 G H -1.7867 Soluble
50 L H 0.0000 Buried
51 E H -0.7078 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 A H 0.0000 Buried
55 R H -0.2609 Soluble
56 V H 0.0000 Buried
57 I H 0.0000 Buried
58 P H 0.0000 Buried
59 N H -1.5188 Soluble
62 A H -0.8712 Soluble
63 G H -1.0255 Soluble
64 G H -0.6944 Soluble
65 T H -0.2602 Soluble
66 S H -0.3501 Soluble
67 Y H -0.9283 Soluble
68 N H -1.5266 Soluble
69 Q H -2.6218 Soluble
70 K H -2.8718 Soluble
71 F H 0.0000 Buried
72 K H -2.8463 Soluble
74 G H -1.9967 Soluble
75 R H -1.6138 Soluble
76 F H 0.0000 Buried
77 T H -0.7968 Soluble
78 L H 0.0000 Buried
79 S H -0.1077 Soluble
80 V H -0.3661 Soluble
81 D H -1.3867 Soluble
82 N H -2.1128 Soluble
83 S H -1.7672 Soluble
84 K H -2.5347 Soluble
85 N H -1.9855 Soluble
86 T H 0.0000 Buried
87 A H 0.0000 Buried
88 Y H -0.1817 Soluble
89 L H 0.0000 Buried
90 Q H -1.0032 Soluble
91 M H 0.0000 Buried
92 N H -1.3763 Soluble
93 S H -1.2929 Soluble
94 L H 0.0000 Buried
95 R H -2.3404 Soluble
96 A H -1.7597 Soluble
97 E H -2.2597 Soluble
98 D H 0.0000 Buried
99 T H -0.7207 Soluble
100 A H 0.0000 Buried
101 V H 0.2362 Aggregation-prone
102 Y H 0.0000 Buried
103 Y H 0.0000 Buried
104 C H 0.0000 Buried
105 A H 0.0000 Buried
106 R H -0.4045 Soluble
107 E H -0.6255 Soluble
108 G H -0.3606 Soluble
115 I H -0.0448 Soluble
116 Y H 0.2905 Aggregation-prone
117 W H 0.2915 Aggregation-prone
118 W H -0.2696 Soluble
119 G H -0.5629 Soluble
120 Q H -1.1800 Soluble
121 G H -0.2801 Soluble
122 T H -0.0293 Soluble
123 L H 0.1940 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.4488 Soluble
126 V H 0.0000 Buried
127 S H -0.9448 Soluble
128 S H -0.6453 Soluble
129 A H -0.5282 Soluble
130 S H -0.7027 Soluble
131 T H -1.0393 Soluble
132 K H -1.8100 Soluble
133 G H -1.7741 Soluble
134 P H -0.8254 Soluble
135 S H -0.4963 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -0.9953 Soluble
139 L H 0.0000 Buried
140 A H -1.2502 Soluble
141 P H 0.0000 Buried
142 S H -0.7662 Soluble
143 S H -0.5220 Soluble
144 G H -0.8328 Soluble
145 G H -0.8599 Soluble
146 T H -0.5683 Soluble
147 A H 0.0000 Buried
148 A H 0.0000 Buried
149 L H 0.0000 Buried
150 G H 0.0000 Buried
151 C H 0.0000 Buried
152 L H 0.0000 Buried
153 V H 0.0000 Buried
154 K H 0.0000 Buried
155 D H -0.6889 Soluble
156 Y H 0.0000 Buried
157 F H 0.0000 Buried
158 P H 0.0000 Buried
159 E H -0.9714 Soluble
160 P H -1.0129 Soluble
161 V H -0.7069 Soluble
162 T H -0.7150 Soluble
163 V H -0.2408 Soluble
164 S H -0.4007 Soluble
165 W H 0.0000 Buried
166 N H -0.6694 Soluble
167 S H -0.5989 Soluble
168 G H -0.5703 Soluble
169 A H -0.2471 Soluble
170 L H 0.0052 Aggregation-prone
171 T H -0.1886 Soluble
172 S H -0.2030 Soluble
173 G H -0.2585 Soluble
174 V H 0.1344 Aggregation-prone
175 H H -0.2610 Soluble
176 T H -0.1203 Soluble
177 F H 0.0000 Buried
178 P H -0.4369 Soluble
179 A H 0.1788 Aggregation-prone
180 V H 0.6130 Aggregation-prone
181 L H 1.3578 Aggregation-prone
182 Q H 0.2137 Aggregation-prone
183 S H -0.1769 Soluble
184 S H -0.2224 Soluble
185 G H 0.0247 Aggregation-prone
186 L H 0.0266 Aggregation-prone
187 Y H 0.4295 Aggregation-prone
188 S H 0.0000 Buried
189 L H 0.0000 Buried
190 S H 0.0000 Buried
191 S H 0.0000 Buried
192 V H 0.0000 Buried
193 V H 0.0000 Buried
194 T H -0.1415 Soluble
195 V H 0.0000 Buried
196 P H -0.6332 Soluble
197 S H -0.6071 Soluble
198 S H -0.6554 Soluble
199 S H -0.5475 Soluble
200 L H -0.7012 Soluble
201 G H -1.0542 Soluble
202 T H -0.6262 Soluble
203 Q H -1.1352 Soluble
204 T H -1.0530 Soluble
205 Y H 0.0000 Buried
206 I H -0.9596 Soluble
207 C H 0.0000 Buried
208 N H -1.4056 Soluble
209 V H 0.0000 Buried
210 N H -2.2527 Soluble
211 H H 0.0000 Buried
212 K H -2.9049 Soluble
213 P H -1.8008 Soluble
214 S H -2.1071 Soluble
215 N H -2.7591 Soluble
216 T H -2.2202 Soluble
217 K H -2.8172 Soluble
218 V H -1.6800 Soluble
219 D H -2.1891 Soluble
220 K H -2.0015 Soluble
221 K H -2.3950 Soluble
222 V H 0.0000 Buried
223 E H -2.8387 Soluble
224 P H -1.9777 Soluble
225 K H -2.5508 Soluble
226 S H -1.3337 Soluble
1 D L -2.2114 Soluble
2 I L 0.0000 Buried
3 Q L -2.1598 Soluble
4 M L 0.0000 Buried
5 T L -1.1926 Soluble
6 Q L 0.0000 Buried
7 S L -0.7344 Soluble
8 P L -0.5773 Soluble
9 S L -0.8011 Soluble
10 S L -0.6547 Soluble
11 L L -0.4474 Soluble
12 S L -0.6491 Soluble
13 A L -1.0618 Soluble
14 S L -1.0482 Soluble
15 V L -0.4612 Soluble
16 G L -1.0307 Soluble
17 D L -2.0546 Soluble
18 R L -2.4981 Soluble
19 V L 0.0000 Buried
20 T L -0.6330 Soluble
21 I L 0.0000 Buried
22 T L -0.6718 Soluble
23 C L 0.0000 Buried
24 R L -1.9980 Soluble
25 S L 0.0000 Buried
26 S L -1.7062 Soluble
27 Q L -1.5303 Soluble
28 S L -0.6491 Soluble
29 L L 0.0000 Buried
30 V L 0.0641 Aggregation-prone
31 H L -0.9794 Soluble
32 S L -1.1111 Soluble
34 N L -1.8293 Soluble
35 G L -1.3864 Soluble
36 N L -1.2393 Soluble
37 T L -0.2867 Soluble
38 F L 0.1194 Aggregation-prone
39 L L 0.0000 Buried
40 H L 0.0000 Buried
41 W L 0.0000 Buried
42 Y L 0.0000 Buried
43 Q L 0.0000 Buried
44 Q L -1.3544 Soluble
45 K L -1.7724 Soluble
46 P L -1.4919 Soluble
47 G L -1.7462 Soluble
48 K L -2.5412 Soluble
49 A L -1.6924 Soluble
50 P L 0.0000 Buried
51 K L -1.6452 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.1411 Aggregation-prone
56 T L -0.1155 Soluble
57 V L 0.0000 Buried
65 S L -0.7918 Soluble
66 N L -1.2046 Soluble
67 R L -1.0784 Soluble
68 F L -0.3555 Soluble
69 S L -0.4636 Soluble
70 G L -0.5207 Soluble
71 V L -0.4697 Soluble
72 P L -0.4046 Soluble
74 S L -0.5438 Soluble
75 R L -0.8426 Soluble
76 F L 0.0000 Buried
77 S L -0.5673 Soluble
78 G L 0.0000 Buried
79 S L -0.7369 Soluble
80 G L -0.9908 Soluble
83 S L -0.7878 Soluble
84 G L -0.7374 Soluble
85 T L -1.3028 Soluble
86 D L -2.0244 Soluble
87 F L 0.0000 Buried
88 T L -0.6489 Soluble
89 L L 0.0000 Buried
90 T L -0.6026 Soluble
91 I L 0.0000 Buried
92 S L -1.4860 Soluble
93 S L -1.3529 Soluble
94 L L 0.0000 Buried
95 Q L -1.0368 Soluble
96 P L -1.6825 Soluble
97 E L -1.9741 Soluble
98 D L 0.0000 Buried
99 F L 0.0000 Buried
100 A L 0.0000 Buried
101 T L -0.7820 Soluble
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 T L -0.1304 Soluble
108 T L -0.1840 Soluble
109 H L -0.4798 Soluble
114 V L -0.0183 Soluble
115 P L -0.4473 Soluble
116 W L 0.0000 Buried
117 T L -0.7678 Soluble
118 F L -0.4815 Soluble
119 G L -1.0015 Soluble
120 Q L -1.8119 Soluble
121 G L -1.2288 Soluble
122 T L 0.0000 Buried
123 K L -1.2227 Soluble
124 V L 0.0000 Buried
125 E L -1.0532 Soluble
126 I L 0.0000 Buried
127 K L -1.2797 Soluble
128 R L -0.8800 Soluble
129 T L -0.0595 Soluble
130 V L 0.5723 Aggregation-prone
131 A L 0.0690 Aggregation-prone
132 A L -0.1239 Soluble
133 P L 0.0000 Buried
134 S L -0.1135 Soluble
135 V L 0.0000 Buried
136 F L -0.0462 Soluble
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L -0.6991 Soluble
140 P L -0.8585 Soluble
141 S L -1.7059 Soluble
142 D L -2.9138 Soluble
143 E L -2.5617 Soluble
144 Q L 0.0000 Buried
145 L L -2.0162 Soluble
146 K L -2.6502 Soluble
147 S L -1.6064 Soluble
148 G L -1.4568 Soluble
149 T L -0.9067 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 L L 0.0000 Buried
156 L L 0.0000 Buried
157 N L 0.0000 Buried
158 N L -1.0118 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.7913 Soluble
162 R L -3.0284 Soluble
163 E L -3.2660 Soluble
164 A L -2.3860 Soluble
165 K L -2.4278 Soluble
166 V L -1.1290 Soluble
167 Q L -0.5561 Soluble
168 W L 0.0000 Buried
169 K L -0.4389 Soluble
170 V L 0.0000 Buried
171 D L -2.1554 Soluble
172 N L -1.6244 Soluble
173 A L -0.2662 Soluble
174 L L 0.7114 Aggregation-prone
175 Q L -0.2572 Soluble
176 S L -0.7396 Soluble
177 G L -1.2223 Soluble
178 N L -1.5357 Soluble
179 S L -1.3065 Soluble
180 Q L -1.2430 Soluble
181 E L -1.6082 Soluble
182 S L -0.7090 Soluble
183 V L -0.6758 Soluble
184 T L 0.0000 Buried
185 E L -1.5801 Soluble
186 Q L 0.0000 Buried
187 D L -1.9696 Soluble
188 S L -2.1687 Soluble
189 K L -2.6178 Soluble
190 D L -2.0584 Soluble
191 S L 0.0000 Buried
192 T L 0.0000 Buried
193 Y L 0.0000 Buried
194 S L 0.0000 Buried
195 L L 0.0000 Buried
196 S L 0.0000 Buried
197 S L 0.0000 Buried
198 T L -0.6213 Soluble
199 L L 0.0000 Buried
200 T L -0.3749 Soluble
201 L L -0.5077 Soluble
202 S L -0.8984 Soluble
203 K L -1.9249 Soluble
204 A L -1.4983 Soluble
205 D L -2.0749 Soluble
206 Y L 0.0000 Buried
207 E L -2.8534 Soluble
208 K L -3.2064 Soluble
209 H L -3.0895 Soluble
210 K L -3.3577 Soluble
211 V L -1.9050 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.6991 Soluble
216 V L 0.0000 Buried
217 T L -1.1946 Soluble
218 H L 0.0000 Buried
219 Q L -1.5665 Soluble
220 G L -0.4299 Soluble
221 L L -0.2444 Soluble
222 S L -0.4940 Soluble
223 S L -0.4242 Soluble
224 P L -0.5604 Soluble
225 V L -0.0178 Soluble
226 T L -0.5168 Soluble
227 K L -0.8313 Soluble
228 S L -0.8619 Soluble
229 F L -1.1488 Soluble
230 N L -2.3487 Soluble
231 R L -2.3486 Soluble
232 G L -1.4753 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 -0.804 1.5309 CSV PDB
4.5 -0.8386 1.4953 CSV PDB
5.0 -0.8774 1.4806 CSV PDB
5.5 -0.9119 1.4646 CSV PDB
6.0 -0.9323 1.4483 CSV PDB
6.5 -0.9306 1.4319 CSV PDB
7.0 -0.9069 1.4154 CSV PDB
7.5 -0.8691 1.3991 CSV PDB
8.0 -0.8239 1.3832 CSV PDB
8.5 -0.7735 1.4777 CSV PDB
9.0 -0.718 1.5792 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH