Tomuzotuximab / 6ayn

A4DAB272_6ayn_B_A | Source PDB: 6ayn | Chains: B, A | Done
99.56
Yes
10 Å
Yes
Avg A4D Score
-0.6534
Max Score
1.8999
Min Score
-3.5852
Total Score
-280.95
Score CDR
-0.2645
Score non-CDR
-0.6999

Calculation Parameters

Chain Sequence(s) QVQLKQSGPGLVQPSQSLSITCTVSGFSLTNYGVHWVRQSPGKGLEWLGVIWSGGNTDYNTPFTSRLSINKDNSKSQVFFKMNSLQSNDTAIYYCARALTYYDYEFAYWGQGTLVTVSAASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKDILLTQSPVILSVSPGERVSFSCRASQSIGTNIHWYQQRTNGSPRLLIKYASESISGIPSRFSGSGSGTDFTLSINSVESEDIADYYCQQNNNWPTTFGAGTKLELKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG input.pdb
Selected Chain(s) B (Heavy), A (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 -3.5852
Maximum Score 1.8999
Average Score -0.6534
Total Score -280.949

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

Index Residue Chain A4D Score Classification
1 Q B -1.3959 Soluble
2 V B -0.7338 Soluble
3 Q B -1.3577 Soluble
4 L B 0.0000 Buried
5 K B -2.2464 Soluble
6 Q B 0.0000 Buried
7 S B -0.7794 Soluble
8 G B -1.0249 Soluble
9 P B -0.4596 Soluble
11 G B -0.4441 Soluble
12 L B 0.0596 Aggregation-prone
13 V B 0.0000 Buried
14 Q B -1.1826 Soluble
15 P B -1.4489 Soluble
16 S B -1.6226 Soluble
17 Q B -2.0341 Soluble
18 S B -1.7739 Soluble
19 L B 0.0000 Buried
20 S B -0.7375 Soluble
21 I B 0.0000 Buried
22 T B -0.5421 Soluble
23 C B 0.0000 Buried
24 T B -1.1402 Soluble
25 V B 0.0000 Buried
26 S B -1.1787 Soluble
27 G B -0.9312 Soluble
28 F B -0.5017 Soluble
29 S B -0.8617 Soluble
30 L B 0.0000 Buried
35 T B -0.8766 Soluble
36 N B -0.8342 Soluble
37 Y B 0.4551 Aggregation-prone
38 G B 0.0000 Buried
39 V B 0.0000 Buried
40 H B 0.0000 Buried
41 W B 0.0000 Buried
42 V B 0.0000 Buried
43 R B 0.0000 Buried
44 Q B -0.4849 Soluble
45 S B -1.0320 Soluble
46 P B -1.1744 Soluble
47 G B -1.7583 Soluble
48 K B -2.2626 Soluble
49 G B -1.1600 Soluble
50 L B 0.0000 Buried
51 E B -0.6045 Soluble
52 W B 0.0000 Buried
53 L B 0.0000 Buried
54 G B 0.0000 Buried
55 V B 0.0000 Buried
56 I B 0.0000 Buried
57 W B -0.5030 Soluble
58 S B -0.6330 Soluble
59 G B -1.2104 Soluble
63 G B -1.5163 Soluble
64 N B -1.8348 Soluble
65 T B -1.2863 Soluble
66 D B -0.9880 Soluble
67 Y B -0.4119 Soluble
68 N B -0.2221 Soluble
69 T B -0.2390 Soluble
70 P B -0.3939 Soluble
71 F B 0.0000 Buried
72 T B -0.4837 Soluble
74 S B -0.6341 Soluble
75 R B -1.1315 Soluble
76 L B 0.0000 Buried
77 S B -1.1334 Soluble
78 I B 0.0000 Buried
79 N B -1.7510 Soluble
80 K B -1.4214 Soluble
81 D B -1.7417 Soluble
82 N B -2.1053 Soluble
83 S B -1.6267 Soluble
84 K B -2.3332 Soluble
85 S B -1.5732 Soluble
86 Q B -1.5150 Soluble
87 V B 0.0000 Buried
88 F B -0.3673 Soluble
89 F B 0.0000 Buried
90 K B -1.6530 Soluble
91 M B 0.0000 Buried
92 N B -2.1093 Soluble
93 S B -1.6021 Soluble
94 L B 0.0000 Buried
95 Q B -2.2080 Soluble
96 S B -1.5571 Soluble
97 N B -2.0869 Soluble
98 D B 0.0000 Buried
99 T B -0.6286 Soluble
100 A B 0.0000 Buried
101 I B 0.5275 Aggregation-prone
102 Y B 0.0000 Buried
103 Y B 0.0000 Buried
104 C B 0.0000 Buried
105 A B 0.0000 Buried
106 R B 0.0000 Buried
107 A B 0.0000 Buried
108 L B 1.0562 Aggregation-prone
109 T B 1.1503 Aggregation-prone
110 Y B 1.8380 Aggregation-prone
111 Y B 1.8999 Aggregation-prone
112 D B 1.0039 Aggregation-prone
113 Y B 0.5308 Aggregation-prone
114 E B 0.0000 Buried
115 F B 0.0000 Buried
116 A B 0.2651 Aggregation-prone
117 Y B 0.2495 Aggregation-prone
118 W B -0.4365 Soluble
119 G B 0.0000 Buried
120 Q B -1.7653 Soluble
121 G B -0.8588 Soluble
122 T B 0.0000 Buried
123 L B 0.2948 Aggregation-prone
124 V B 0.0000 Buried
125 T B -0.2696 Soluble
126 V B 0.0000 Buried
127 S B -0.5635 Soluble
128 A B -0.2919 Soluble
129 A B -0.1647 Soluble
131 T B -0.7789 Soluble
132 K B -1.4738 Soluble
133 G B -1.5231 Soluble
134 P B 0.0000 Buried
135 S B -0.4377 Soluble
136 V B 0.0000 Buried
137 F B -0.6268 Soluble
138 P B -1.2178 Soluble
139 L B 0.0000 Buried
140 A B -1.3101 Soluble
141 P B 0.0000 Buried
142 S B -1.1126 Soluble
143 S B -0.7329 Soluble
144 K B -1.1604 Soluble
145 S B 0.0000 Buried
146 T B -0.7339 Soluble
147 S B -0.8053 Soluble
148 G B -0.8419 Soluble
149 G B -0.9110 Soluble
150 T B -0.6329 Soluble
151 A B 0.0000 Buried
152 A B 0.0000 Buried
153 L B 0.0000 Buried
154 G B 0.0000 Buried
155 C B 0.0000 Buried
156 L B 0.0000 Buried
157 V B 0.0000 Buried
158 K B 0.0000 Buried
159 D B -0.4986 Soluble
160 Y B 0.0000 Buried
161 F B 0.0000 Buried
162 P B 0.0000 Buried
163 E B -0.2813 Soluble
164 P B -0.5229 Soluble
165 V B -0.5866 Soluble
166 T B -0.5493 Soluble
167 V B -0.1767 Soluble
168 S B -0.2071 Soluble
169 W B 0.0000 Buried
170 N B -0.7763 Soluble
171 S B -0.4955 Soluble
172 G B -0.4527 Soluble
173 A B -0.1927 Soluble
174 L B 0.0098 Aggregation-prone
175 T B -0.1424 Soluble
176 S B -0.1782 Soluble
177 G B -0.2178 Soluble
178 V B 0.1738 Aggregation-prone
179 H B -0.1741 Soluble
180 T B -0.0609 Soluble
181 F B 0.0000 Buried
182 P B -0.0665 Soluble
183 A B 0.4244 Aggregation-prone
184 V B 0.6372 Aggregation-prone
185 L B 1.4531 Aggregation-prone
186 Q B 0.4146 Aggregation-prone
187 S B -0.0286 Soluble
188 S B -0.2117 Soluble
189 G B 0.0506 Aggregation-prone
190 L B 0.1088 Aggregation-prone
191 Y B 0.5174 Aggregation-prone
192 S B 0.0000 Buried
193 L B 0.0000 Buried
194 S B 0.0000 Buried
195 S B 0.0000 Buried
196 V B 0.0000 Buried
197 V B 0.0000 Buried
198 T B -0.1363 Soluble
199 V B 0.0000 Buried
200 P B -0.5455 Soluble
201 S B -0.5893 Soluble
202 S B -0.6161 Soluble
203 S B -0.6894 Soluble
204 L B -0.8434 Soluble
205 G B -0.9915 Soluble
206 T B -0.8317 Soluble
207 Q B -1.4574 Soluble
208 T B -1.3227 Soluble
209 Y B 0.0000 Buried
210 I B -1.1195 Soluble
211 C B 0.0000 Buried
212 N B -1.0036 Soluble
213 V B 0.0000 Buried
214 N B -1.7846 Soluble
215 H B 0.0000 Buried
216 K B -2.7921 Soluble
217 P B -1.6190 Soluble
218 S B -1.8694 Soluble
219 N B -2.6009 Soluble
220 T B -2.0874 Soluble
221 K B -2.3881 Soluble
222 V B -1.0834 Soluble
223 D B -1.3434 Soluble
224 K B -1.6005 Soluble
225 R B -2.4025 Soluble
226 V B 0.0000 Buried
227 E B -2.9409 Soluble
228 P B -1.9063 Soluble
229 K B -2.2850 Soluble
1 D A -1.4043 Soluble
2 I A 0.0000 Buried
3 L A 0.5874 Aggregation-prone
4 L A 0.0000 Buried
5 T A -0.4119 Soluble
6 Q A -0.1906 Soluble
7 S A 0.0274 Aggregation-prone
8 P A 0.7582 Aggregation-prone
9 V A 1.7042 Aggregation-prone
10 I A 1.1439 Aggregation-prone
11 L A 0.3931 Aggregation-prone
12 S A -0.4455 Soluble
13 V A 0.0000 Buried
14 S A -1.6895 Soluble
15 P A -1.7823 Soluble
16 G A -2.0880 Soluble
17 E A -2.7433 Soluble
18 R A -3.1677 Soluble
19 V A 0.0000 Buried
20 S A -0.7080 Soluble
21 F A 0.0000 Buried
22 S A -0.7723 Soluble
23 C A 0.0000 Buried
24 R A -2.4644 Soluble
25 A A -1.3323 Soluble
26 S A -1.0106 Soluble
27 Q A -1.5810 Soluble
28 S A -1.4632 Soluble
29 I A 0.0000 Buried
36 G A -0.9151 Soluble
37 T A -0.6914 Soluble
38 N A -0.7092 Soluble
39 I A 0.0000 Buried
40 H A 0.0000 Buried
41 W A 0.0000 Buried
42 Y A 0.0000 Buried
43 Q A 0.0000 Buried
44 Q A -1.4192 Soluble
45 R A -1.9560 Soluble
46 T A -1.7250 Soluble
47 N A -1.9961 Soluble
48 G A -1.5356 Soluble
49 S A -0.9928 Soluble
50 P A 0.0000 Buried
51 R A -0.7319 Soluble
52 L A 0.0000 Buried
53 L A 0.0000 Buried
54 I A 0.0000 Buried
55 K A -0.7406 Soluble
56 Y A -0.6373 Soluble
57 A A 0.0000 Buried
65 S A -1.2887 Soluble
66 E A -2.0095 Soluble
67 S A -1.2008 Soluble
68 I A -0.5718 Soluble
69 S A -0.3432 Soluble
70 G A -0.4717 Soluble
71 I A -0.2606 Soluble
72 P A -0.3257 Soluble
74 S A -0.6391 Soluble
75 R A -1.2286 Soluble
76 F A 0.0000 Buried
77 S A -0.9648 Soluble
78 G A -0.7348 Soluble
79 S A -0.8465 Soluble
80 G A -1.0366 Soluble
83 S A -1.0778 Soluble
84 G A -1.2660 Soluble
85 T A -1.8501 Soluble
86 D A -2.4056 Soluble
87 F A 0.0000 Buried
88 T A -0.8145 Soluble
89 L A 0.0000 Buried
90 S A -0.9457 Soluble
91 I A 0.0000 Buried
92 N A -2.7159 Soluble
93 S A -2.3303 Soluble
94 V A 0.0000 Buried
95 E A -1.9881 Soluble
96 S A -2.0020 Soluble
97 E A -1.9394 Soluble
98 D A 0.0000 Buried
99 I A -1.5283 Soluble
100 A A 0.0000 Buried
101 D A -1.2490 Soluble
102 Y A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 Q A 0.0000 Buried
106 Q A 0.0000 Buried
107 N A -0.5564 Soluble
108 N A -0.9934 Soluble
109 N A -0.9396 Soluble
114 W A 0.1945 Aggregation-prone
115 P A 0.0000 Buried
116 T A 0.0000 Buried
117 T A -0.0471 Soluble
118 F A 0.1520 Aggregation-prone
119 G A 0.0000 Buried
120 A A 0.0633 Aggregation-prone
121 G A -0.1199 Soluble
122 T A 0.0000 Buried
123 K A -1.0711 Soluble
124 L A 0.0000 Buried
125 E A -1.0030 Soluble
126 L A 0.0000 Buried
127 K A -1.5800 Soluble
128 R A -1.1977 Soluble
129 T A -0.1159 Soluble
130 V A 0.5578 Aggregation-prone
131 A A 0.1553 Aggregation-prone
132 A A -0.1123 Soluble
133 P A 0.0000 Buried
134 S A -0.2190 Soluble
135 V A 0.0000 Buried
136 F A 0.0000 Buried
137 I A 0.0000 Buried
138 F A 0.0000 Buried
139 P A -0.7221 Soluble
140 P A 0.0000 Buried
141 S A -1.7113 Soluble
142 D A -2.7705 Soluble
143 E A -2.6036 Soluble
144 Q A 0.0000 Buried
145 L A -2.2190 Soluble
146 K A -2.7368 Soluble
147 S A -1.6991 Soluble
148 G A -1.2105 Soluble
149 T A -0.9504 Soluble
150 A A 0.0000 Buried
151 S A 0.0000 Buried
152 V A 0.0000 Buried
153 V A 0.0000 Buried
154 C A 0.0000 Buried
155 L A 0.0000 Buried
156 L A 0.0000 Buried
157 N A 0.0000 Buried
158 N A -0.7134 Soluble
159 F A 0.0000 Buried
160 Y A 0.0000 Buried
161 P A -0.8716 Soluble
163 E A -2.3302 Soluble
164 A A -1.8224 Soluble
165 K A -2.0322 Soluble
166 V A -1.0704 Soluble
167 Q A -0.8653 Soluble
168 W A 0.0000 Buried
169 K A -0.8003 Soluble
170 V A 0.0000 Buried
171 D A -1.9918 Soluble
172 N A -1.6205 Soluble
173 A A -0.4943 Soluble
174 L A 0.1712 Aggregation-prone
175 Q A -0.3950 Soluble
176 S A -0.5567 Soluble
177 G A -0.8899 Soluble
178 N A -0.8252 Soluble
179 S A -0.9608 Soluble
180 Q A -0.9759 Soluble
181 E A -1.2825 Soluble
182 S A -0.4358 Soluble
183 V A 0.2664 Aggregation-prone
184 T A -0.5004 Soluble
185 E A -1.8439 Soluble
186 Q A 0.0000 Buried
187 D A -1.8641 Soluble
188 S A -2.1563 Soluble
189 K A -2.5920 Soluble
190 D A -1.9937 Soluble
191 S A 0.0000 Buried
192 T A 0.0000 Buried
193 Y A -0.6410 Soluble
194 S A 0.0000 Buried
195 L A 0.0000 Buried
196 S A 0.0000 Buried
197 S A 0.0000 Buried
198 T A -0.5218 Soluble
199 L A 0.0000 Buried
200 T A -0.2663 Soluble
201 L A -0.6166 Soluble
202 S A -1.1464 Soluble
203 K A -1.9591 Soluble
204 A A -1.8417 Soluble
205 D A -2.4249 Soluble
206 Y A 0.0000 Buried
207 E A -3.3623 Soluble
208 K A -3.5852 Soluble
209 H A -3.0441 Soluble
210 K A -3.2172 Soluble
211 V A -1.5625 Soluble
212 Y A 0.0000 Buried
213 A A 0.0000 Buried
214 C A 0.0000 Buried
215 E A -0.9132 Soluble
216 V A 0.0000 Buried
217 T A -1.2300 Soluble
218 H A 0.0000 Buried
219 Q A -1.3751 Soluble
220 G A -0.4183 Soluble
221 L A -0.2254 Soluble
222 S A -0.4611 Soluble
223 S A -0.4393 Soluble
224 P A -0.6345 Soluble
225 V A -0.0640 Soluble
226 T A -0.4792 Soluble
227 K A -0.8212 Soluble
228 S A -0.7433 Soluble
229 F A 0.0000 Buried
230 N A -1.9859 Soluble
231 R A -2.3435 Soluble
232 G A -1.3126 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
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 -0.669 2.7496 CSV PDB
4.5 -0.7006 2.6791 CSV PDB
5.0 -0.7384 2.5984 CSV PDB
5.5 -0.7741 2.5136 CSV PDB
6.0 -0.7972 2.4275 CSV PDB
6.5 -0.8002 2.3411 CSV PDB
7.0 -0.7834 2.255 CSV PDB
7.5 -0.7534 2.17 CSV PDB
8.0 -0.716 2.1818 CSV PDB
8.5 -0.6737 2.2906 CSV PDB
9.0 -0.6269 2.4008 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH