Dacetuzumab / 8yx9

A4DAB078_8yx9_E_F | Source PDB: 8yx9 | Chains: E, F | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7253
Max Score
1.1746
Min Score
-3.6802
Total Score
-310.44
Score CDR
-0.4767
Score non-CDR
-0.7553

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGYSFTGYYIHWVRQAPGKGLEWVARVIPNAGGTSYNQKFKGRFTLSVDNSKNTAYLQMNSLRAEDTAVYYCAREGIYWWGQGTLVTVSSASTKGPSVFPLAPSSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSDIQMTQSPSSLSASVGDRVTITCRSSQSLVHSNGNTFLHWYQQKPGKAPKLLIYTVSNRFSGVPSRFSGSGSGTDFTLTISSLQPEDFATYFCSQTTHVPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG input.pdb
Selected Chain(s) E (Heavy), F (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 -3.6802
Maximum Score 1.1746
Average Score -0.7253
Total Score -310.4357

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

Index Residue Chain A4D Score Classification
1 E E -2.1993 Soluble
2 V E -1.4496 Soluble
3 Q E -1.2284 Soluble
4 L E 0.1495 Aggregation-prone
5 V E 1.1746 Aggregation-prone
6 E E 0.3769 Aggregation-prone
7 S E -0.3339 Soluble
8 G E -0.9314 Soluble
9 G E -0.4132 Soluble
11 G E 0.0492 Aggregation-prone
12 L E 0.0756 Aggregation-prone
13 V E -0.5955 Soluble
14 Q E -1.5826 Soluble
15 P E -1.6853 Soluble
16 G E -1.4310 Soluble
17 G E -1.0726 Soluble
18 S E -1.2479 Soluble
19 L E -1.0324 Soluble
20 R E -2.0732 Soluble
21 L E 0.0000 Buried
22 S E -0.2873 Soluble
23 C E 0.0000 Buried
24 A E -0.1534 Soluble
25 A E 0.0000 Buried
26 S E -1.0966 Soluble
27 G E -1.3732 Soluble
28 Y E -0.7134 Soluble
29 S E -0.3241 Soluble
30 F E 0.0000 Buried
35 T E -0.7818 Soluble
36 G E -0.4100 Soluble
37 Y E 0.0305 Aggregation-prone
38 Y E -0.1105 Soluble
39 I E 0.0000 Buried
40 H E 0.0000 Buried
41 W E 0.0000 Buried
42 V E 0.0000 Buried
43 R E 0.0000 Buried
44 Q E -0.8028 Soluble
45 A E -1.1924 Soluble
46 P E -1.3574 Soluble
47 G E -1.6240 Soluble
48 K E -2.4900 Soluble
49 G E -1.7991 Soluble
50 L E 0.0000 Buried
51 E E -0.7765 Soluble
52 W E 0.0000 Buried
53 V E 0.0000 Buried
54 A E 0.0000 Buried
55 R E -0.2946 Soluble
56 V E 0.0000 Buried
57 I E -0.2956 Soluble
58 P E 0.0000 Buried
59 N E -1.5090 Soluble
62 A E -0.8940 Soluble
63 G E -0.9657 Soluble
64 G E -0.6982 Soluble
65 T E -0.2674 Soluble
66 S E -0.4022 Soluble
67 Y E -1.0139 Soluble
68 N E -1.5627 Soluble
69 Q E -2.6413 Soluble
70 K E -2.9317 Soluble
71 F E 0.0000 Buried
72 K E -2.8974 Soluble
74 G E -2.0211 Soluble
75 R E -1.6062 Soluble
76 F E 0.0000 Buried
77 T E -0.8920 Soluble
78 L E 0.0000 Buried
79 S E -0.1196 Soluble
80 V E -0.5262 Soluble
81 D E -1.4606 Soluble
82 N E -2.2402 Soluble
83 S E -1.8224 Soluble
84 K E -2.5379 Soluble
85 N E -1.9965 Soluble
86 T E 0.0000 Buried
87 A E 0.0000 Buried
88 Y E -0.4385 Soluble
89 L E 0.0000 Buried
90 Q E -1.1997 Soluble
91 M E 0.0000 Buried
92 N E -1.3978 Soluble
93 S E -1.2851 Soluble
94 L E 0.0000 Buried
95 R E -2.5014 Soluble
96 A E -1.8011 Soluble
97 E E -2.3205 Soluble
98 D E 0.0000 Buried
99 T E -0.6960 Soluble
100 A E 0.0000 Buried
101 V E 0.2889 Aggregation-prone
102 Y E 0.0000 Buried
103 Y E 0.0000 Buried
104 C E 0.0000 Buried
105 A E 0.0000 Buried
106 R E -0.3271 Soluble
107 E E -0.5550 Soluble
108 G E -0.3586 Soluble
115 I E -0.0524 Soluble
116 Y E 0.2452 Aggregation-prone
117 W E 0.2377 Aggregation-prone
118 W E -0.3961 Soluble
119 G E -0.5304 Soluble
120 Q E -1.1389 Soluble
121 G E -0.3991 Soluble
122 T E 0.0457 Aggregation-prone
123 L E 0.3527 Aggregation-prone
124 V E 0.0000 Buried
125 T E -0.3542 Soluble
126 V E 0.0000 Buried
127 S E -0.7290 Soluble
128 S E -0.6827 Soluble
129 A E -0.4264 Soluble
130 S E -0.6028 Soluble
131 T E -0.6887 Soluble
132 K E -1.3046 Soluble
133 G E -1.3946 Soluble
134 P E 0.0000 Buried
135 S E -0.2434 Soluble
136 V E 0.0000 Buried
137 F E 0.0000 Buried
138 P E -1.0076 Soluble
139 L E 0.0000 Buried
140 A E -1.2203 Soluble
141 P E 0.0000 Buried
142 S E -0.7741 Soluble
143 S E -0.5374 Soluble
144 G E -0.6473 Soluble
145 T E -0.4646 Soluble
146 A E 0.0000 Buried
147 A E 0.0000 Buried
148 L E 0.0000 Buried
149 G E 0.0000 Buried
150 C E 0.0000 Buried
151 L E 0.0000 Buried
152 V E 0.0000 Buried
153 K E 0.0000 Buried
154 D E -0.3373 Soluble
155 Y E 0.0000 Buried
156 F E 0.0000 Buried
157 P E 0.0000 Buried
158 E E -0.6448 Soluble
159 P E -0.8504 Soluble
160 V E -0.7098 Soluble
161 T E -0.6036 Soluble
162 V E -0.3698 Soluble
163 S E -0.4016 Soluble
164 W E 0.0000 Buried
165 N E -0.6912 Soluble
166 S E -0.6280 Soluble
167 G E -0.5595 Soluble
168 A E -0.2202 Soluble
169 L E 0.0414 Aggregation-prone
170 T E -0.1482 Soluble
171 S E -0.1523 Soluble
172 G E -0.1619 Soluble
173 V E 0.1823 Aggregation-prone
174 H E -0.2474 Soluble
175 T E 0.0061 Aggregation-prone
176 F E 0.0000 Buried
177 P E -0.4517 Soluble
178 A E 0.1318 Aggregation-prone
179 V E 0.3730 Aggregation-prone
180 L E 0.9532 Aggregation-prone
181 Q E 0.1777 Aggregation-prone
182 S E -0.1232 Soluble
183 S E -0.1867 Soluble
184 G E 0.0688 Aggregation-prone
185 L E 0.1802 Aggregation-prone
186 Y E 0.4033 Aggregation-prone
187 S E 0.0000 Buried
188 L E 0.0000 Buried
189 S E 0.0000 Buried
190 S E 0.0000 Buried
191 V E 0.0000 Buried
192 V E 0.0000 Buried
193 T E -0.1279 Soluble
194 V E 0.0000 Buried
195 P E -0.5021 Soluble
196 S E -0.5264 Soluble
197 S E -0.5698 Soluble
198 S E -0.5330 Soluble
199 L E -0.7467 Soluble
200 G E -1.0518 Soluble
201 T E -0.6824 Soluble
202 Q E -1.1173 Soluble
203 T E -1.0865 Soluble
204 Y E 0.0000 Buried
205 I E -1.1818 Soluble
206 C E 0.0000 Buried
207 N E -1.4557 Soluble
208 V E 0.0000 Buried
209 N E -2.0468 Soluble
210 H E 0.0000 Buried
211 K E -2.7817 Soluble
212 P E -1.6431 Soluble
213 S E -1.8574 Soluble
214 N E -2.6226 Soluble
215 T E -2.2469 Soluble
216 K E -2.7265 Soluble
217 V E -1.7122 Soluble
218 D E -2.4042 Soluble
219 K E -2.0469 Soluble
220 K E -2.4187 Soluble
221 V E 0.0000 Buried
222 E E -2.8650 Soluble
223 P E -2.0089 Soluble
224 K E -2.5639 Soluble
225 S E -1.2887 Soluble
1 D F -2.2161 Soluble
2 I F 0.0000 Buried
3 Q F -1.9956 Soluble
4 M F 0.0000 Buried
5 T F -1.1472 Soluble
6 Q F 0.0000 Buried
7 S F -0.7526 Soluble
8 P F -0.6320 Soluble
9 S F -0.8562 Soluble
10 S F -0.7648 Soluble
11 L F -0.4776 Soluble
12 S F -0.5956 Soluble
13 A F -1.1460 Soluble
14 S F -1.1946 Soluble
15 V F -0.5463 Soluble
16 G F -1.1772 Soluble
17 D F -2.4720 Soluble
18 R F -2.6771 Soluble
19 V F 0.0000 Buried
20 T F -0.6946 Soluble
21 I F 0.0000 Buried
22 T F -0.6515 Soluble
23 C F 0.0000 Buried
24 R F -1.9012 Soluble
25 S F 0.0000 Buried
26 S F -1.5980 Soluble
27 Q F -1.4054 Soluble
28 S F -0.5847 Soluble
29 L F 0.0000 Buried
30 V F -0.0287 Soluble
31 H F -0.9914 Soluble
32 S F -1.1249 Soluble
34 N F -1.8507 Soluble
35 G F -1.4763 Soluble
36 N F -1.3598 Soluble
37 T F -0.3398 Soluble
38 F F 0.0883 Aggregation-prone
39 L F 0.0000 Buried
40 H F 0.0000 Buried
41 W F 0.0000 Buried
42 Y F 0.0000 Buried
43 Q F 0.0000 Buried
44 Q F -1.2941 Soluble
45 K F -1.7835 Soluble
46 P F -1.5328 Soluble
47 G F -1.6480 Soluble
48 K F -2.5282 Soluble
49 A F -1.6458 Soluble
50 P F 0.0000 Buried
51 K F -1.4925 Soluble
52 L F 0.0000 Buried
53 L F 0.0000 Buried
54 I F 0.0000 Buried
55 Y F 0.0881 Aggregation-prone
56 T F -0.2269 Soluble
57 V F -0.5325 Soluble
65 S F -0.7939 Soluble
66 N F -1.3264 Soluble
67 R F -1.2613 Soluble
68 F F -0.4829 Soluble
69 S F -0.5743 Soluble
70 G F -0.6175 Soluble
71 V F 0.0000 Buried
72 P F -0.5051 Soluble
74 S F -0.6067 Soluble
75 R F -0.8408 Soluble
76 F F 0.0000 Buried
77 S F -0.5840 Soluble
78 G F 0.0000 Buried
79 S F -0.7053 Soluble
80 G F -0.9528 Soluble
83 S F -0.7486 Soluble
84 G F -0.6991 Soluble
85 T F -1.2532 Soluble
86 D F -1.9787 Soluble
87 F F 0.0000 Buried
88 T F -0.6306 Soluble
89 L F 0.0000 Buried
90 T F -0.5901 Soluble
91 I F 0.0000 Buried
92 S F -1.5023 Soluble
93 S F -1.4225 Soluble
94 L F 0.0000 Buried
95 Q F -1.0531 Soluble
96 P F -1.5663 Soluble
97 E F -1.8934 Soluble
98 D F 0.0000 Buried
99 F F -0.9776 Soluble
100 A F 0.0000 Buried
101 T F -0.8554 Soluble
102 Y F 0.0000 Buried
103 F F 0.0000 Buried
104 C F 0.0000 Buried
105 S F 0.0000 Buried
106 Q F 0.0000 Buried
107 T F -0.1325 Soluble
108 T F -0.1830 Soluble
109 H F -0.5366 Soluble
114 V F -0.0690 Soluble
115 P F -0.4839 Soluble
116 W F 0.0000 Buried
117 T F -0.7752 Soluble
118 F F -0.4284 Soluble
119 G F 0.0000 Buried
120 Q F -1.6958 Soluble
121 G F -1.2668 Soluble
122 T F 0.0000 Buried
123 K F -1.5080 Soluble
124 V F 0.0000 Buried
125 E F -0.9904 Soluble
126 I F 0.0000 Buried
127 K F -1.2696 Soluble
128 R F -0.8876 Soluble
129 T F -0.1037 Soluble
130 V F 0.3514 Aggregation-prone
131 A F -0.0750 Soluble
132 A F -0.1223 Soluble
133 P F 0.0000 Buried
134 S F -0.1341 Soluble
135 V F 0.0000 Buried
136 F F 0.0559 Aggregation-prone
137 I F 0.0302 Aggregation-prone
138 F F 0.0000 Buried
139 P F -0.5967 Soluble
140 P F -0.7474 Soluble
141 S F -1.6606 Soluble
142 D F -2.8601 Soluble
143 E F -2.4545 Soluble
144 Q F 0.0000 Buried
145 L F -1.9600 Soluble
146 K F -2.5957 Soluble
147 S F -1.5980 Soluble
148 G F -1.3408 Soluble
149 T F -0.8515 Soluble
150 A F 0.0000 Buried
151 S F 0.0000 Buried
152 V F 0.0000 Buried
153 V F 0.0000 Buried
154 C F 0.0000 Buried
155 L F 0.0000 Buried
156 L F 0.0000 Buried
157 N F 0.0000 Buried
158 N F -0.8842 Soluble
159 F F 0.0000 Buried
160 Y F 0.0000 Buried
161 P F -1.7219 Soluble
162 R F -2.9393 Soluble
163 E F -3.2090 Soluble
164 A F -2.3381 Soluble
165 K F -2.5242 Soluble
166 V F -1.1949 Soluble
167 Q F -0.5937 Soluble
168 W F 0.0000 Buried
169 K F -0.4777 Soluble
170 V F 0.0000 Buried
171 D F -1.7593 Soluble
172 N F -1.2421 Soluble
173 A F -0.1999 Soluble
174 L F 0.7972 Aggregation-prone
175 Q F -0.0145 Soluble
176 S F -0.4654 Soluble
177 G F -0.9094 Soluble
178 N F -0.8353 Soluble
179 S F -1.2198 Soluble
180 Q F -1.6677 Soluble
181 E F -2.2471 Soluble
182 S F -0.8993 Soluble
183 V F -0.7184 Soluble
184 T F -0.9397 Soluble
185 E F -1.7072 Soluble
186 Q F 0.0000 Buried
187 D F -1.8795 Soluble
188 S F -2.1141 Soluble
189 K F -2.4878 Soluble
190 D F -1.7785 Soluble
191 S F 0.0000 Buried
192 T F 0.0000 Buried
193 Y F 0.0000 Buried
194 S F 0.0000 Buried
195 L F 0.0000 Buried
196 S F 0.0000 Buried
197 S F 0.0000 Buried
198 T F -0.6714 Soluble
199 L F 0.0000 Buried
200 T F -0.3288 Soluble
201 L F -0.7444 Soluble
202 S F -1.2446 Soluble
203 K F -2.2672 Soluble
204 A F -2.1068 Soluble
205 D F -3.0384 Soluble
206 Y F 0.0000 Buried
207 E F -3.5216 Soluble
208 K F -3.6802 Soluble
209 H F -3.0118 Soluble
210 K F -3.0473 Soluble
211 V F -1.5520 Soluble
212 Y F 0.0000 Buried
213 A F 0.0000 Buried
214 C F 0.0000 Buried
215 E F -0.8151 Soluble
216 V F 0.0000 Buried
217 T F -1.2521 Soluble
218 H F 0.0000 Buried
219 Q F -1.5740 Soluble
220 G F -0.4347 Soluble
221 L F -0.2708 Soluble
222 S F -0.5063 Soluble
223 S F -0.4489 Soluble
224 P F -0.5676 Soluble
225 V F -0.0993 Soluble
226 T F -0.5994 Soluble
227 K F -0.9242 Soluble
228 S F -0.7880 Soluble
229 F F -1.0130 Soluble
230 N F -2.1056 Soluble
231 R F -2.3815 Soluble
232 G F -1.3937 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 -0.7981 1.3413 CSV PDB
4.5 -0.8345 1.3034 CSV PDB
5.0 -0.8764 1.2453 CSV PDB
5.5 -0.9147 1.2448 CSV PDB
6.0 -0.9387 1.2448 CSV PDB
6.5 -0.9397 1.2448 CSV PDB
7.0 -0.9179 1.2448 CSV PDB
7.5 -0.8815 1.2448 CSV PDB
8.0 -0.8376 1.2448 CSV PDB
8.5 -0.7885 1.3821 CSV PDB
9.0 -0.7342 1.5432 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH