Tomuzotuximab / 1yy9

A4DAB272_1yy9_D_C | Source PDB: 1yy9 | Chains: D, C | Done
99.56
Yes
10 Å
Yes
Avg A4D Score
-0.6862
Max Score
1.8951
Min Score
-3.6638
Total Score
-295.74
Score CDR
-0.3108
Score non-CDR
-0.731

Calculation Parameters

Chain Sequence(s) QVQLKQSGPGLVQPSQSLSITCTVSGFSLTNYGVHWVRQSPGKGLEWLGVIWSGGNTDYNTPFTSRLSINKDNSKSQVFFKMNSLQSNDTAIYYCARALTYYDYEFAYWGQGTLVTVSAASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKDILLTQSPVILSVSPGERVSFSCRASQSIGTNIHWYQQRTNGSPRLLIKYASESISGIPSRFSGSGSGTDFTLSINSVESEDIADYYCQQNNNWPTTFGAGTKLELKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR input.pdb
Selected Chain(s) D (Heavy), C (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 -3.6638
Maximum Score 1.8951
Average Score -0.6862
Total Score -295.7432

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

Index Residue Chain A4D Score Classification
1 Q D -1.4982 Soluble
2 V D -0.9675 Soluble
3 Q D -1.7629 Soluble
4 L D 0.0000 Buried
5 K D -1.8401 Soluble
6 Q D 0.0000 Buried
7 S D -0.7301 Soluble
8 G D -0.2401 Soluble
9 P D -0.2168 Soluble
11 G D 0.0374 Aggregation-prone
12 L D 0.0898 Aggregation-prone
13 V D 0.0000 Buried
14 Q D -1.8288 Soluble
15 P D -1.6128 Soluble
16 S D -1.6898 Soluble
17 Q D -2.2034 Soluble
18 S D -1.8648 Soluble
19 L D 0.0000 Buried
20 S D -0.9486 Soluble
21 I D 0.0000 Buried
22 T D -0.6512 Soluble
23 C D 0.0000 Buried
24 T D -1.1391 Soluble
25 V D 0.0000 Buried
26 S D -1.3069 Soluble
27 G D -1.0629 Soluble
28 F D -0.5990 Soluble
29 S D -0.8769 Soluble
30 L D 0.0000 Buried
35 T D -1.0315 Soluble
36 N D -0.9490 Soluble
37 Y D 0.1137 Aggregation-prone
38 G D 0.0000 Buried
39 V D 0.0000 Buried
40 H D 0.0000 Buried
41 W D 0.0000 Buried
42 V D 0.0000 Buried
43 R D 0.0000 Buried
44 Q D -0.3526 Soluble
45 S D -0.7305 Soluble
46 P D -0.7838 Soluble
47 G D -1.3517 Soluble
48 K D -1.7669 Soluble
49 G D -0.9531 Soluble
50 L D 0.0000 Buried
51 E D -0.5663 Soluble
52 W D 0.0000 Buried
53 L D 0.0000 Buried
54 G D 0.0000 Buried
55 V D 0.0000 Buried
56 I D 0.0000 Buried
57 W D -0.5220 Soluble
58 S D -0.6970 Soluble
59 G D -1.2059 Soluble
63 G D -1.5180 Soluble
64 N D -1.8610 Soluble
65 T D -1.2626 Soluble
66 D D -0.9169 Soluble
67 Y D -0.3251 Soluble
68 N D 0.0000 Buried
69 T D -0.1747 Soluble
70 P D -0.3596 Soluble
71 F D 0.0000 Buried
72 T D -0.4200 Soluble
74 S D -0.5628 Soluble
75 R D -1.0469 Soluble
76 L D 0.0000 Buried
77 S D -1.1481 Soluble
78 I D 0.0000 Buried
79 N D -1.9453 Soluble
80 K D -1.8050 Soluble
81 D D -1.9882 Soluble
82 N D -2.1844 Soluble
83 S D -1.6781 Soluble
84 K D -2.4005 Soluble
85 S D -1.6860 Soluble
86 Q D -1.6541 Soluble
87 V D 0.0000 Buried
88 F D -0.7093 Soluble
89 F D 0.0000 Buried
90 K D -1.8274 Soluble
91 M D 0.0000 Buried
92 N D -1.9642 Soluble
93 S D -1.6153 Soluble
94 L D 0.0000 Buried
95 Q D -2.0367 Soluble
96 S D -1.4657 Soluble
97 N D -1.8798 Soluble
98 D D 0.0000 Buried
99 T D -0.4147 Soluble
100 A D 0.0000 Buried
101 I D 0.5597 Aggregation-prone
102 Y D 0.0000 Buried
103 Y D 0.0000 Buried
104 C D 0.0000 Buried
105 A D 0.0000 Buried
106 R D 0.0000 Buried
107 A D 0.0000 Buried
108 L D 0.9721 Aggregation-prone
109 T D 1.1782 Aggregation-prone
110 Y D 1.8554 Aggregation-prone
111 Y D 1.8951 Aggregation-prone
112 D D 1.0421 Aggregation-prone
113 Y D 0.6596 Aggregation-prone
114 E D 0.0000 Buried
115 F D 0.0000 Buried
116 A D 0.1910 Aggregation-prone
117 Y D -0.1678 Soluble
118 W D 0.0000 Buried
119 G D 0.0000 Buried
120 Q D -1.6829 Soluble
121 G D -0.7215 Soluble
122 T D 0.0193 Aggregation-prone
123 L D 0.6891 Aggregation-prone
124 V D 0.0000 Buried
125 T D -0.0471 Soluble
126 V D 0.0000 Buried
127 S D -0.6186 Soluble
128 A D -0.6672 Soluble
129 A D -0.3243 Soluble
130 S D -0.4755 Soluble
131 T D -0.5520 Soluble
132 K D -1.1509 Soluble
133 G D -1.3046 Soluble
134 P D 0.0000 Buried
135 S D -0.2151 Soluble
136 V D 0.0000 Buried
137 F D -0.8989 Soluble
138 P D -1.1907 Soluble
139 L D 0.0000 Buried
140 A D -1.4471 Soluble
141 P D -1.1160 Soluble
142 S D -1.0166 Soluble
143 S D -1.4741 Soluble
144 K D -2.0473 Soluble
145 S D -1.2408 Soluble
146 T D -0.8895 Soluble
147 S D -0.8358 Soluble
148 G D -0.4347 Soluble
149 G D -0.5388 Soluble
150 T D -0.4613 Soluble
151 A D -0.5556 Soluble
152 A D 0.0000 Buried
153 L D 0.0000 Buried
154 G D 0.0000 Buried
155 C D 0.0000 Buried
156 L D 0.0000 Buried
157 V D 0.0000 Buried
158 K D 0.0000 Buried
159 D D -0.2993 Soluble
160 Y D 0.0000 Buried
161 F D 0.0000 Buried
162 P D 0.0000 Buried
163 E D -0.4260 Soluble
164 P D -0.6464 Soluble
165 V D -0.6557 Soluble
166 T D -0.5848 Soluble
167 V D -0.2310 Soluble
168 S D -0.4539 Soluble
169 W D 0.0000 Buried
170 N D -0.7131 Soluble
171 S D -0.6670 Soluble
172 G D -0.5313 Soluble
173 A D -0.2146 Soluble
174 L D 0.0649 Aggregation-prone
175 T D -0.0846 Soluble
176 S D -0.1125 Soluble
177 G D -0.0939 Soluble
178 V D 0.2754 Aggregation-prone
179 H D -0.2554 Soluble
180 T D 0.0345 Aggregation-prone
181 F D 0.0000 Buried
182 P D -0.3580 Soluble
183 A D 0.2212 Aggregation-prone
184 V D 0.5454 Aggregation-prone
185 L D 1.1257 Aggregation-prone
186 Q D 0.2890 Aggregation-prone
187 S D -0.0887 Soluble
188 S D -0.2310 Soluble
189 G D -0.0013 Soluble
190 L D 0.1437 Aggregation-prone
191 Y D 0.4864 Aggregation-prone
192 S D 0.0000 Buried
193 L D 0.0000 Buried
194 S D 0.0000 Buried
195 S D 0.0000 Buried
196 V D 0.0000 Buried
197 V D 0.0000 Buried
198 T D -0.1703 Soluble
199 V D 0.0000 Buried
200 P D -0.0869 Soluble
201 S D 0.0000 Buried
202 S D -0.5093 Soluble
203 S D -0.2711 Soluble
204 L D 0.7607 Aggregation-prone
205 G D -0.1062 Soluble
206 T D -0.4559 Soluble
207 Q D -1.2995 Soluble
208 T D -1.2261 Soluble
209 Y D 0.0000 Buried
210 I D -1.5421 Soluble
211 C D 0.0000 Buried
212 N D -1.5971 Soluble
213 V D 0.0000 Buried
214 N D -2.0133 Soluble
215 H D 0.0000 Buried
216 K D -2.7622 Soluble
217 P D -1.5932 Soluble
218 S D -1.8673 Soluble
219 N D -2.6424 Soluble
220 T D -2.0773 Soluble
221 K D -2.7335 Soluble
222 V D -1.8125 Soluble
223 D D -2.7490 Soluble
224 K D -2.1726 Soluble
225 R D -3.0491 Soluble
226 V D 0.0000 Buried
227 E D -3.0683 Soluble
228 P D -2.2253 Soluble
229 K D -2.8578 Soluble
1 D C -1.4792 Soluble
2 I C 0.0000 Buried
3 L C 0.5531 Aggregation-prone
4 L C 0.0000 Buried
5 T C -0.2536 Soluble
6 Q C -0.2146 Soluble
7 S C -0.0421 Soluble
8 P C 0.6178 Aggregation-prone
9 V C 1.6154 Aggregation-prone
10 I C 0.9162 Aggregation-prone
11 L C 0.3016 Aggregation-prone
12 S C -0.2688 Soluble
13 V C -0.9777 Soluble
14 S C -1.6165 Soluble
15 P C -2.0037 Soluble
16 G C -2.2161 Soluble
17 E C -3.0785 Soluble
18 R C -3.3129 Soluble
19 V C 0.0000 Buried
20 S C -0.8673 Soluble
21 F C 0.0000 Buried
22 S C -1.0049 Soluble
23 C C 0.0000 Buried
24 R C -2.3861 Soluble
25 A C 0.0000 Buried
26 S C -1.0861 Soluble
27 Q C -1.7260 Soluble
28 S C -1.4801 Soluble
29 I C 0.0000 Buried
36 G C -1.1083 Soluble
37 T C -1.0354 Soluble
38 N C -0.9009 Soluble
39 I C 0.0000 Buried
40 H C 0.0000 Buried
41 W C 0.0000 Buried
42 Y C 0.0000 Buried
43 Q C 0.0000 Buried
44 Q C -1.2417 Soluble
45 R C -1.9847 Soluble
46 T C -1.6178 Soluble
47 N C -1.8755 Soluble
48 G C -1.5963 Soluble
49 S C -1.0727 Soluble
50 P C 0.0000 Buried
51 R C -0.7665 Soluble
52 L C 0.0000 Buried
53 L C 0.0000 Buried
54 I C 0.0000 Buried
55 K C -0.8269 Soluble
56 Y C -0.7529 Soluble
57 A C 0.0000 Buried
65 S C -1.3510 Soluble
66 E C -2.1067 Soluble
67 S C -1.3253 Soluble
68 I C 0.0000 Buried
69 S C -0.6498 Soluble
70 G C -0.5324 Soluble
71 I C -0.3644 Soluble
72 P C -0.4542 Soluble
74 S C -0.7704 Soluble
75 R C -1.4523 Soluble
76 F C 0.0000 Buried
77 S C -0.9941 Soluble
78 G C -0.7633 Soluble
79 S C -0.8663 Soluble
80 G C -1.0867 Soluble
83 S C -0.9477 Soluble
84 G C -1.3357 Soluble
85 T C -1.8255 Soluble
86 D C -2.3483 Soluble
87 F C 0.0000 Buried
88 T C -0.8353 Soluble
89 L C 0.0000 Buried
90 S C 0.0000 Buried
91 I C 0.0000 Buried
92 N C -3.0408 Soluble
93 S C -2.5254 Soluble
94 V C 0.0000 Buried
95 E C -2.3645 Soluble
96 S C -1.9928 Soluble
97 E C -2.3015 Soluble
98 D C 0.0000 Buried
99 I C -1.3511 Soluble
100 A C 0.0000 Buried
101 D C 0.0000 Buried
102 Y C 0.0000 Buried
103 Y C 0.0000 Buried
104 C C 0.0000 Buried
105 Q C 0.0000 Buried
106 Q C 0.0000 Buried
107 N C -0.6793 Soluble
108 N C -1.2832 Soluble
109 N C -0.7368 Soluble
114 W C 0.4624 Aggregation-prone
115 P C 0.0965 Aggregation-prone
116 T C 0.0000 Buried
117 T C 0.0438 Aggregation-prone
118 F C 0.2651 Aggregation-prone
119 G C 0.0000 Buried
120 A C -0.1803 Soluble
121 G C 0.0042 Aggregation-prone
122 T C 0.0000 Buried
123 K C -0.7769 Soluble
124 L C 0.0000 Buried
125 E C -0.8099 Soluble
126 L C 0.0000 Buried
127 K C -1.3368 Soluble
128 R C -1.2085 Soluble
129 T C -0.2314 Soluble
130 V C 0.2258 Aggregation-prone
131 A C -0.1211 Soluble
132 A C -0.1287 Soluble
133 P C 0.0000 Buried
134 S C -0.1214 Soluble
135 V C 0.0000 Buried
136 F C -0.0231 Soluble
137 I C 0.0000 Buried
138 F C 0.0000 Buried
139 P C -0.4376 Soluble
140 P C 0.0000 Buried
141 S C -1.4086 Soluble
142 D C -2.9555 Soluble
143 E C -2.8231 Soluble
144 Q C 0.0000 Buried
145 L C -2.2057 Soluble
146 K C -2.8112 Soluble
147 S C -1.8966 Soluble
148 G C -1.4623 Soluble
149 T C -1.1322 Soluble
150 A C 0.0000 Buried
151 S C 0.0000 Buried
152 V C 0.0000 Buried
153 V C 0.0000 Buried
154 C C 0.0000 Buried
155 L C 0.0000 Buried
156 L C 0.0000 Buried
157 N C 0.0000 Buried
158 N C -0.8078 Soluble
159 F C 0.0000 Buried
160 Y C 0.0000 Buried
161 P C -1.3411 Soluble
162 R C -2.1257 Soluble
163 E C -2.8074 Soluble
164 A C -2.0482 Soluble
165 K C -2.3059 Soluble
166 V C -1.0253 Soluble
167 Q C -0.5274 Soluble
168 W C 0.0000 Buried
169 K C -0.6182 Soluble
170 V C 0.0000 Buried
171 D C -1.7510 Soluble
172 N C -1.2992 Soluble
173 A C -0.3095 Soluble
174 L C 0.5040 Aggregation-prone
175 Q C -0.1903 Soluble
176 S C -0.4749 Soluble
177 G C -0.8152 Soluble
178 N C -0.6359 Soluble
179 S C -1.0305 Soluble
180 Q C -1.3180 Soluble
181 E C -1.8707 Soluble
182 S C -0.9352 Soluble
183 V C -0.5430 Soluble
184 T C -0.9788 Soluble
185 E C -1.9872 Soluble
186 Q C 0.0000 Buried
187 D C -1.9718 Soluble
188 S C -2.0898 Soluble
189 K C -2.3982 Soluble
190 D C -1.7532 Soluble
191 S C 0.0000 Buried
192 T C 0.0000 Buried
193 Y C 0.0000 Buried
194 S C 0.0000 Buried
195 L C 0.0000 Buried
196 S C 0.0000 Buried
197 S C 0.0000 Buried
198 T C -0.6731 Soluble
199 L C 0.0000 Buried
200 T C -0.3485 Soluble
201 L C -0.3829 Soluble
202 S C -1.2900 Soluble
203 K C -2.4014 Soluble
204 A C -2.4439 Soluble
205 D C -2.5510 Soluble
206 Y C -2.4974 Soluble
207 E C -3.6575 Soluble
208 K C -3.6638 Soluble
209 H C -3.1085 Soluble
210 K C -3.2899 Soluble
211 V C -1.9732 Soluble
212 Y C 0.0000 Buried
213 A C 0.0000 Buried
214 C C 0.0000 Buried
215 E C -0.5992 Soluble
216 V C 0.0000 Buried
217 T C -1.1795 Soluble
218 H C 0.0000 Buried
219 Q C -1.6889 Soluble
220 G C -0.4887 Soluble
221 L C -0.2273 Soluble
222 S C -0.4575 Soluble
223 S C -0.4185 Soluble
224 P C -0.4790 Soluble
225 V C 0.0324 Aggregation-prone
226 T C -0.4416 Soluble
227 K C -0.7106 Soluble
228 S C -0.8058 Soluble
229 F C -1.0361 Soluble
230 N C -1.8133 Soluble
231 R C -2.4828 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 -0.7246 3.2089 CSV PDB
4.5 -0.7593 3.1729 CSV PDB
5.0 -0.8016 3.1272 CSV PDB
5.5 -0.8423 3.0771 CSV PDB
6.0 -0.8707 3.0255 CSV PDB
6.5 -0.8781 2.9734 CSV PDB
7.0 -0.8634 2.9212 CSV PDB
7.5 -0.8335 2.8693 CSV PDB
8.0 -0.7952 2.8186 CSV PDB
8.5 -0.7514 2.771 CSV PDB
9.0 -0.7031 2.7312 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH