Tomuzotuximab / 4gw1

A4DAB272_4gw1_D_C | Source PDB: 4gw1 | Chains: D, C | Done
99.56
Yes
10 Å
Yes
Avg A4D Score
-0.6514
Max Score
1.912
Min Score
-3.7748
Total Score
-282.06
Score CDR
-0.2854
Score non-CDR
-0.6949

Calculation Parameters

Chain Sequence(s) QVQLKQSGPGLVQPSQSLSITCTVSGFSLTNYGVHWVRQSPGKGLEWLGVIWSGGNTDYNTPFTSRLSINKDNSKSQVFFKMNSLQSNDTAIYYCARALTYYDYEFAYWGQGTLVTVSAASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKDILLTQSPVILSVSPGERVSFSCRASQSIGTNIHWYQQRTNGSPRLLIKYASESISGIPSRFSGSGSGTDFTLSINSVESEDIADYYCQQNNNWPTTFGAGTKLELKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE 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 -3.7748
Maximum Score 1.912
Average Score -0.6514
Total Score -282.0638

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

Index Residue Chain A4D Score Classification
1 Q D -1.3378 Soluble
2 V D -0.6240 Soluble
3 Q D -1.2741 Soluble
4 L D 0.0000 Buried
5 K D -2.2771 Soluble
6 Q D 0.0000 Buried
7 S D -0.8725 Soluble
8 G D -1.1027 Soluble
9 P D -0.4857 Soluble
11 G D -0.4167 Soluble
12 L D -0.0496 Soluble
13 V D 0.0000 Buried
14 Q D -1.2685 Soluble
15 P D -1.4211 Soluble
16 S D -1.5570 Soluble
17 Q D -1.9647 Soluble
18 S D -1.5985 Soluble
19 L D 0.0000 Buried
20 S D -0.5965 Soluble
21 I D 0.0000 Buried
22 T D -0.4846 Soluble
23 C D 0.0000 Buried
24 T D -1.1498 Soluble
25 V D 0.0000 Buried
26 S D -1.1383 Soluble
27 G D -0.8821 Soluble
28 F D -0.4973 Soluble
29 S D -0.9041 Soluble
30 L D 0.0000 Buried
35 T D -0.9426 Soluble
36 N D -0.8636 Soluble
37 Y D 0.4176 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 -0.4973 Soluble
45 S D -1.0331 Soluble
46 P D -1.1683 Soluble
47 G D -1.7128 Soluble
48 K D -2.2222 Soluble
49 G D -1.1305 Soluble
50 L D 0.0000 Buried
51 E D 0.0000 Buried
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 -0.5224 Soluble
58 S D -0.6428 Soluble
59 G D -1.2209 Soluble
63 G D -1.5381 Soluble
64 N D -1.8463 Soluble
65 T D -1.3016 Soluble
66 D D -1.0107 Soluble
67 Y D -0.3482 Soluble
68 N D 0.0000 Buried
69 T D -0.2055 Soluble
70 P D -0.3572 Soluble
71 F D 0.0000 Buried
72 T D -0.4387 Soluble
74 S D -0.5684 Soluble
75 R D -0.9345 Soluble
76 L D 0.0000 Buried
77 S D -0.9605 Soluble
78 I D 0.0000 Buried
79 N D -1.7126 Soluble
80 K D -1.4991 Soluble
81 D D -2.0075 Soluble
82 N D -2.3607 Soluble
83 S D -1.7861 Soluble
84 K D -2.4653 Soluble
85 S D -1.7180 Soluble
86 Q D -1.6253 Soluble
87 V D 0.0000 Buried
88 F D -0.1886 Soluble
89 F D 0.0000 Buried
90 K D -1.3702 Soluble
91 M D 0.0000 Buried
92 N D -1.7120 Soluble
93 S D -1.4919 Soluble
94 L D 0.0000 Buried
95 Q D -2.1767 Soluble
96 S D -1.5474 Soluble
97 N D -2.0928 Soluble
98 D D 0.0000 Buried
99 T D -0.6847 Soluble
100 A D 0.0000 Buried
101 I D 0.3584 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 1.0402 Aggregation-prone
109 T D 1.1330 Aggregation-prone
110 Y D 1.8357 Aggregation-prone
111 Y D 1.8989 Aggregation-prone
112 D D 1.0099 Aggregation-prone
113 Y D 0.5284 Aggregation-prone
114 E D 0.0000 Buried
115 F D 0.0000 Buried
116 A D 0.2413 Aggregation-prone
117 Y D 0.2435 Aggregation-prone
118 W D 0.0000 Buried
119 G D 0.0000 Buried
120 Q D -1.8311 Soluble
121 G D -0.9755 Soluble
122 T D 0.0000 Buried
123 L D 0.0928 Aggregation-prone
124 V D 0.0000 Buried
125 T D -0.3613 Soluble
126 V D 0.0000 Buried
127 S D -0.6113 Soluble
128 A D -0.3604 Soluble
129 A D -0.2667 Soluble
130 S D -0.4899 Soluble
131 T D -0.7653 Soluble
132 K D -1.2471 Soluble
133 G D -1.3647 Soluble
134 P D -0.6311 Soluble
135 S D -0.2764 Soluble
136 V D 0.0000 Buried
137 F D 0.0000 Buried
138 P D 0.0000 Buried
139 L D 0.0000 Buried
140 A D -1.2652 Soluble
141 P D 0.0000 Buried
142 S D -1.0229 Soluble
143 S D -0.6657 Soluble
144 K D -1.0031 Soluble
145 S D 0.0000 Buried
146 T D -0.7194 Soluble
147 S D -0.8019 Soluble
148 G D -0.8504 Soluble
149 G D -0.9086 Soluble
150 T D -0.6479 Soluble
151 A D 0.0000 Buried
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 -0.4002 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 -0.5668 Soluble
165 V D -0.6150 Soluble
166 T D -0.5965 Soluble
167 V D -0.2461 Soluble
168 S D -0.4267 Soluble
169 W D 0.0000 Buried
170 N D -0.7943 Soluble
171 S D -0.6596 Soluble
172 G D -0.5784 Soluble
173 A D -0.2422 Soluble
174 L D -0.0224 Soluble
175 T D -0.1792 Soluble
176 S D -0.2013 Soluble
177 G D -0.2480 Soluble
178 V D 0.1084 Aggregation-prone
179 H D -0.2313 Soluble
180 T D 0.0023 Aggregation-prone
181 F D 0.0000 Buried
182 P D -0.1582 Soluble
183 A D 0.2968 Aggregation-prone
184 V D 0.6859 Aggregation-prone
185 L D 1.1609 Aggregation-prone
186 Q D 0.3068 Aggregation-prone
187 S D -0.0560 Soluble
188 S D -0.2106 Soluble
189 G D 0.0485 Aggregation-prone
190 L D 0.1327 Aggregation-prone
191 Y D 0.4139 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 -0.1345 Soluble
199 V D 0.0000 Buried
200 P D -0.5431 Soluble
201 S D -0.5797 Soluble
202 S D -0.5752 Soluble
203 S D -0.6068 Soluble
204 L D -0.8359 Soluble
205 G D -0.9816 Soluble
206 T D -0.7067 Soluble
207 Q D -1.1944 Soluble
208 T D -1.1977 Soluble
209 Y D 0.0000 Buried
210 I D -1.3759 Soluble
211 C D 0.0000 Buried
212 N D -1.4357 Soluble
213 V D 0.0000 Buried
214 N D -2.0000 Soluble
215 H D 0.0000 Buried
216 K D -2.3724 Soluble
217 P D -1.4324 Soluble
218 S D -1.7020 Soluble
219 N D -2.4372 Soluble
220 T D -1.9932 Soluble
221 K D -2.6038 Soluble
222 V D -1.4044 Soluble
223 D D -2.1740 Soluble
224 K D -2.0258 Soluble
225 R D -2.5907 Soluble
226 V D 0.0000 Buried
227 E D -2.8506 Soluble
228 P D -1.8724 Soluble
229 K D -2.4195 Soluble
1 D C -1.3500 Soluble
2 I C 0.0000 Buried
3 L C 0.6340 Aggregation-prone
4 L C 0.0000 Buried
5 T C -0.3421 Soluble
6 Q C 0.0000 Buried
7 S C 0.1872 Aggregation-prone
8 P C 0.8644 Aggregation-prone
9 V C 1.9120 Aggregation-prone
10 I C 1.3942 Aggregation-prone
11 L C 0.6163 Aggregation-prone
12 S C -0.1053 Soluble
13 V C 0.0000 Buried
14 S C -1.5200 Soluble
15 P C -1.6608 Soluble
16 G C -1.9517 Soluble
17 E C -2.5866 Soluble
18 R C -3.2226 Soluble
19 V C 0.0000 Buried
20 S C -0.9565 Soluble
21 F C 0.0000 Buried
22 S C -0.7532 Soluble
23 C C 0.0000 Buried
24 R C -2.3667 Soluble
25 A C -1.2140 Soluble
26 S C -0.9269 Soluble
27 Q C -1.2804 Soluble
28 S C -1.4345 Soluble
29 I C 0.0000 Buried
36 G C -1.0321 Soluble
37 T C -0.7995 Soluble
38 N C -0.8336 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 -1.3546 Soluble
45 R C -2.0300 Soluble
46 T C -1.6372 Soluble
47 N C -1.8484 Soluble
48 G C -1.5950 Soluble
49 S C -1.0641 Soluble
50 P C 0.0000 Buried
51 R C -0.8290 Soluble
52 L C 0.0000 Buried
53 L C 0.0000 Buried
54 I C 0.0000 Buried
55 K C -0.7343 Soluble
56 Y C -0.5814 Soluble
57 A C 0.0000 Buried
65 S C -1.1134 Soluble
66 E C -1.6580 Soluble
67 S C -1.0347 Soluble
68 I C -0.4683 Soluble
69 S C -0.3537 Soluble
70 G C -0.4882 Soluble
71 I C -0.3136 Soluble
72 P C -0.4048 Soluble
74 S C -0.7064 Soluble
75 R C -1.3326 Soluble
76 F C 0.0000 Buried
77 S C -0.9300 Soluble
78 G C -0.6725 Soluble
79 S C -0.7722 Soluble
80 G C -1.0311 Soluble
83 S C -0.9004 Soluble
84 G C -1.2688 Soluble
85 T C -1.7793 Soluble
86 D C -2.3510 Soluble
87 F C 0.0000 Buried
88 T C -0.8325 Soluble
89 L C 0.0000 Buried
90 S C -1.0479 Soluble
91 I C 0.0000 Buried
92 N C -2.7413 Soluble
93 S C -2.2712 Soluble
94 V C 0.0000 Buried
95 E C -2.2737 Soluble
96 S C 0.0000 Buried
97 E C -2.1274 Soluble
98 D C 0.0000 Buried
99 I C 0.0000 Buried
100 A C 0.0000 Buried
101 D C -0.7598 Soluble
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 -0.6678 Soluble
108 N C -1.2306 Soluble
109 N C -1.0807 Soluble
114 W C 0.0204 Aggregation-prone
115 P C -0.2524 Soluble
116 T C 0.0000 Buried
117 T C -0.0278 Soluble
118 F C 0.2115 Aggregation-prone
119 G C 0.0000 Buried
120 A C 0.0017 Aggregation-prone
121 G C 0.1524 Aggregation-prone
122 T C 0.0000 Buried
123 K C -0.0773 Soluble
124 L C 0.0000 Buried
125 E C -0.6716 Soluble
126 L C 0.0000 Buried
127 K C -1.3020 Soluble
128 R C -0.9057 Soluble
129 T C 0.2612 Aggregation-prone
130 V C 1.1521 Aggregation-prone
131 A C 0.5202 Aggregation-prone
132 A C 0.1268 Aggregation-prone
133 P C 0.0000 Buried
134 S C -0.2159 Soluble
135 V C 0.0000 Buried
136 F C 0.0000 Buried
137 I C 0.0000 Buried
138 F C 0.0000 Buried
139 P C -0.6494 Soluble
140 P C -0.8449 Soluble
141 S C 0.0000 Buried
142 D C -3.1217 Soluble
143 E C -3.0168 Soluble
144 Q C 0.0000 Buried
145 L C -2.3189 Soluble
146 K C -2.7873 Soluble
147 S C -1.7333 Soluble
148 G C -1.2419 Soluble
149 T C -1.0276 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 -0.7166 Soluble
159 F C 0.0000 Buried
160 Y C -0.4995 Soluble
161 P C -1.0288 Soluble
162 R C -1.9337 Soluble
163 E C -2.6487 Soluble
164 A C -1.9109 Soluble
165 K C -2.0894 Soluble
166 V C 0.0000 Buried
167 Q C -0.8056 Soluble
168 W C 0.0000 Buried
169 K C -0.9890 Soluble
170 V C 0.0000 Buried
171 D C -2.0681 Soluble
172 N C -1.7503 Soluble
173 A C -0.6242 Soluble
174 L C 0.0369 Aggregation-prone
175 Q C -0.6341 Soluble
176 S C -0.7861 Soluble
177 G C -1.2450 Soluble
178 N C -1.5403 Soluble
179 S C -1.3746 Soluble
180 Q C -1.2173 Soluble
181 E C -1.4520 Soluble
182 S C -0.5632 Soluble
183 V C -0.4001 Soluble
184 T C -0.6114 Soluble
185 E C -1.3746 Soluble
186 Q C 0.0000 Buried
187 D C -1.7477 Soluble
188 S C -2.1335 Soluble
189 K C -2.5080 Soluble
190 D C -1.6986 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 -0.6247 Soluble
199 L C 0.0000 Buried
200 T C -0.6428 Soluble
201 L C -0.8554 Soluble
202 S C -1.2548 Soluble
203 K C -2.1175 Soluble
204 A C -1.9931 Soluble
205 D C -2.6145 Soluble
206 Y C 0.0000 Buried
207 E C -3.7537 Soluble
208 K C -3.7748 Soluble
209 H C -3.1132 Soluble
210 K C -3.3419 Soluble
211 V C -1.4664 Soluble
212 Y C 0.0000 Buried
213 A C -0.8761 Soluble
214 C C 0.0000 Buried
215 E C -0.9203 Soluble
216 V C 0.0000 Buried
217 T C -1.0918 Soluble
218 H C 0.0000 Buried
219 Q C -1.4324 Soluble
220 G C -0.2168 Soluble
221 L C -0.1880 Soluble
222 S C -0.4787 Soluble
223 S C -0.4364 Soluble
224 P C -0.4164 Soluble
225 V C -0.0451 Soluble
226 T C -0.5010 Soluble
227 K C -0.7675 Soluble
228 S C -0.7000 Soluble
229 F C 0.0000 Buried
230 N C -2.0095 Soluble
231 R C -2.7109 Soluble
232 G C -2.2365 Soluble
233 E C -2.5845 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 -0.6693 2.495 CSV PDB
4.5 -0.7029 2.4329 CSV PDB
5.0 -0.7428 2.355 CSV PDB
5.5 -0.7809 2.2702 CSV PDB
6.0 -0.8076 2.1829 CSV PDB
6.5 -0.8153 2.1273 CSV PDB
7.0 -0.8042 2.1155 CSV PDB
7.5 -0.7805 2.1038 CSV PDB
8.0 -0.7498 2.0924 CSV PDB
8.5 -0.714 2.115 CSV PDB
9.0 -0.6732 2.1534 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH