Tomuzotuximab / 5i76

A4DAB272_5i76_D_C | Source PDB: 5i76 | Chains: D, C | Done
99.56
Yes
10 Å
Yes
Avg A4D Score
-0.6813
Max Score
2.0571
Min Score
-4.0417
Total Score
-292.95
Score CDR
-0.3195
Score non-CDR
-0.7246

Calculation Parameters

Chain Sequence(s) QVQLKQSGPGLVQPSQSLSITCTVSGFSLTNYGVHWVRQSPGKGLEWLGVIWSGGNTDYNTPFTSRLSINKDNSKSQVFFKMNSLQSNDTAIYYCARALTYYDYEFAYWGQGTLVTVSAASTKGPSVFPLAPSSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSDILLTQSPVILSVSPGERVSFSCRASQSIGTNIHWYQQRTNGSPRLLIKYASESISGIPSRFSGSGSGTDFTLSINSVESEDIADYYCQQNNNWPTTFGAGTKLELKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGA 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 -4.0417
Maximum Score 2.0571
Average Score -0.6813
Total Score -292.9512

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

Index Residue Chain A4D Score Classification
1 Q D -1.5036 Soluble
2 V D -0.9627 Soluble
3 Q D -1.7903 Soluble
4 L D 0.0000 Buried
5 K D -1.9115 Soluble
6 Q D 0.0000 Buried
7 S D -0.6824 Soluble
8 G D -1.1496 Soluble
9 P D -0.4816 Soluble
11 G D -0.4306 Soluble
12 L D -0.1549 Soluble
13 V D 0.0000 Buried
14 Q D -1.7103 Soluble
15 P D -1.4598 Soluble
16 S D -1.4146 Soluble
17 Q D -1.7085 Soluble
18 S D -1.4559 Soluble
19 L D 0.0000 Buried
20 S D -0.5773 Soluble
21 I D 0.0000 Buried
22 T D -0.3547 Soluble
23 C D 0.0000 Buried
24 T D -1.0188 Soluble
25 V D 0.0000 Buried
26 S D -1.1626 Soluble
27 G D -0.8773 Soluble
28 F D -0.4988 Soluble
29 S D -0.8753 Soluble
30 L D 0.0000 Buried
35 T D -1.0977 Soluble
36 N D -0.9936 Soluble
37 Y D 0.2210 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 -0.4006 Soluble
44 Q D 0.0000 Buried
45 S D -1.0446 Soluble
46 P D -1.0477 Soluble
47 G D -1.4458 Soluble
48 K D -2.1439 Soluble
49 G D -1.2152 Soluble
50 L D 0.0000 Buried
51 E D -0.7998 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 -0.6301 Soluble
58 S D -0.7475 Soluble
59 G D -1.2389 Soluble
63 G D -1.6099 Soluble
64 N D -1.8336 Soluble
65 T D -1.2756 Soluble
66 D D -0.9556 Soluble
67 Y D -0.3002 Soluble
68 N D 0.0000 Buried
69 T D -0.4569 Soluble
70 P D -0.3522 Soluble
71 F D 0.0000 Buried
72 T D -0.4213 Soluble
74 S D -0.5215 Soluble
75 R D -0.8881 Soluble
76 L D 0.0000 Buried
77 S D -0.9162 Soluble
78 I D 0.0000 Buried
79 N D -1.6781 Soluble
80 K D -1.4382 Soluble
81 D D -1.8629 Soluble
82 N D -2.4232 Soluble
83 S D -1.7876 Soluble
84 K D -2.4267 Soluble
85 S D -1.6484 Soluble
86 Q D -1.4683 Soluble
87 V D 0.0000 Buried
88 F D -0.0891 Soluble
89 F D 0.0000 Buried
90 K D -1.3128 Soluble
91 M D 0.0000 Buried
92 N D -1.4133 Soluble
93 S D -1.2980 Soluble
94 L D 0.0000 Buried
95 Q D -1.8882 Soluble
96 S D -1.4570 Soluble
97 N D -1.6840 Soluble
98 D D 0.0000 Buried
99 T D -0.5310 Soluble
100 A D 0.0000 Buried
101 I D 0.4169 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 1.1142 Aggregation-prone
109 T D 0.9432 Aggregation-prone
110 Y D 1.4128 Aggregation-prone
111 Y D 1.6165 Aggregation-prone
112 D D 0.7507 Aggregation-prone
113 Y D 0.3873 Aggregation-prone
114 E D 0.0000 Buried
115 F D 0.0000 Buried
116 A D 0.3741 Aggregation-prone
117 Y D 0.2505 Aggregation-prone
118 W D -0.4523 Soluble
119 G D 0.0000 Buried
120 Q D -1.7317 Soluble
121 G D -0.8341 Soluble
122 T D 0.0000 Buried
123 L D 0.1633 Aggregation-prone
124 V D 0.0000 Buried
125 T D -0.3343 Soluble
126 V D 0.0000 Buried
127 S D -0.6196 Soluble
128 A D -0.4224 Soluble
129 A D -0.3368 Soluble
130 S D -0.5078 Soluble
131 T D -0.5660 Soluble
132 K D -1.1653 Soluble
133 G D -1.3910 Soluble
134 P D -0.6358 Soluble
135 S D -0.2661 Soluble
136 V D 0.0000 Buried
137 F D 0.0000 Buried
138 P D -1.1993 Soluble
139 L D 0.0000 Buried
140 A D -1.2231 Soluble
141 P D 0.0000 Buried
142 S D -0.9244 Soluble
143 S D -0.6395 Soluble
144 G D -0.7623 Soluble
145 G D -0.8855 Soluble
146 T D -0.5835 Soluble
147 A D -0.3293 Soluble
148 A D 0.0000 Buried
149 L D 0.0000 Buried
150 G D 0.0000 Buried
151 C D 0.0000 Buried
152 L D 0.0000 Buried
153 V D 0.0000 Buried
154 K D 0.0000 Buried
155 D D -0.4612 Soluble
156 Y D 0.0000 Buried
157 F D 0.0000 Buried
158 P D 0.0000 Buried
159 E D -0.2711 Soluble
160 P D -0.6067 Soluble
161 V D -0.7692 Soluble
162 T D -0.7236 Soluble
163 V D 0.0000 Buried
164 S D -0.4437 Soluble
165 W D 0.0000 Buried
166 N D -0.7151 Soluble
167 S D -0.6329 Soluble
168 G D -0.5804 Soluble
169 A D -0.2502 Soluble
170 L D -0.0017 Soluble
171 T D -0.1672 Soluble
172 S D -0.3401 Soluble
173 G D -0.2017 Soluble
174 V D 0.2034 Aggregation-prone
175 H D 0.0000 Buried
176 T D 0.0335 Aggregation-prone
177 F D 0.0000 Buried
178 P D -0.2549 Soluble
179 A D 0.2558 Aggregation-prone
180 V D 0.4783 Aggregation-prone
181 L D 0.9551 Aggregation-prone
182 Q D 0.1617 Aggregation-prone
183 S D -0.1203 Soluble
184 S D -0.2691 Soluble
185 G D -0.0279 Soluble
186 L D 0.0759 Aggregation-prone
187 Y D 0.3994 Aggregation-prone
188 S D 0.0000 Buried
189 L D 0.0000 Buried
190 S D 0.0000 Buried
191 S D 0.0000 Buried
192 V D 0.0000 Buried
193 V D 0.0000 Buried
194 T D -0.1348 Soluble
195 V D 0.0000 Buried
196 P D -0.6422 Soluble
197 S D -0.6297 Soluble
198 S D -0.6111 Soluble
199 S D -0.6116 Soluble
200 L D -0.7249 Soluble
201 G D -0.9004 Soluble
202 T D -0.6654 Soluble
203 Q D -1.1004 Soluble
204 T D -1.0913 Soluble
205 Y D 0.0000 Buried
206 I D -1.1951 Soluble
207 C D 0.0000 Buried
208 N D 0.0000 Buried
209 V D 0.0000 Buried
210 N D -2.2485 Soluble
211 H D 0.0000 Buried
212 K D -2.8924 Soluble
213 P D -1.6029 Soluble
214 S D -1.8701 Soluble
215 N D -2.6980 Soluble
216 T D -2.1561 Soluble
217 K D -2.7778 Soluble
218 V D -1.5728 Soluble
219 D D -2.3616 Soluble
220 K D -2.1807 Soluble
221 R D -2.6465 Soluble
222 V D 0.0000 Buried
223 E D -2.8832 Soluble
224 P D -2.1708 Soluble
225 K D -2.3619 Soluble
226 S D -1.3262 Soluble
1 D C -1.4422 Soluble
2 I C 0.0000 Buried
3 L C 0.8190 Aggregation-prone
4 L C 0.0000 Buried
5 T C 0.0304 Aggregation-prone
6 Q C 0.0000 Buried
7 S C 0.4653 Aggregation-prone
8 P C 0.9829 Aggregation-prone
9 V C 2.0571 Aggregation-prone
10 I C 1.6618 Aggregation-prone
11 L C 0.7732 Aggregation-prone
12 S C -0.2515 Soluble
13 V C 0.0000 Buried
14 S C -1.9511 Soluble
15 P C -2.1127 Soluble
16 G C -2.3297 Soluble
17 E C -3.0868 Soluble
18 R C -3.2768 Soluble
19 V C 0.0000 Buried
20 S C -0.8560 Soluble
21 F C 0.0000 Buried
22 S C -0.5022 Soluble
23 C C 0.0000 Buried
24 R C -1.5022 Soluble
25 A C -0.8584 Soluble
26 S C -0.7535 Soluble
27 Q C -1.3530 Soluble
28 S C -1.3583 Soluble
29 I C 0.0000 Buried
36 G C -1.0002 Soluble
37 T C -0.8106 Soluble
38 N C -0.7875 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 -1.1728 Soluble
45 R C -1.8950 Soluble
46 T C -1.6216 Soluble
47 N C -1.9395 Soluble
48 G C -1.4529 Soluble
49 S C -0.9449 Soluble
50 P C 0.0000 Buried
51 R C -0.6472 Soluble
52 L C 0.0000 Buried
53 L C 0.0000 Buried
54 I C 0.0000 Buried
55 K C -0.8575 Soluble
56 Y C -0.7353 Soluble
57 A C 0.0000 Buried
65 S C -1.2715 Soluble
66 E C -2.0318 Soluble
67 S C -1.2185 Soluble
68 I C -0.5387 Soluble
69 S C -0.3520 Soluble
70 G C -0.4827 Soluble
71 I C -0.2779 Soluble
72 P C -0.4843 Soluble
74 S C -0.6779 Soluble
75 R C -1.2237 Soluble
76 F C 0.0000 Buried
77 S C -0.9539 Soluble
78 G C 0.0000 Buried
79 S C -0.8866 Soluble
80 G C -1.0907 Soluble
83 S C -1.1545 Soluble
84 G C -1.2641 Soluble
85 T C -1.6786 Soluble
86 D C -2.4569 Soluble
87 F C 0.0000 Buried
88 T C -0.7506 Soluble
89 L C 0.0000 Buried
90 S C -0.9723 Soluble
91 I C 0.0000 Buried
92 N C -2.9463 Soluble
93 S C -2.6561 Soluble
94 V C 0.0000 Buried
95 E C -2.9991 Soluble
96 S C -2.6044 Soluble
97 E C -2.6621 Soluble
98 D C 0.0000 Buried
99 I C -1.6055 Soluble
100 A C 0.0000 Buried
101 D C -0.6363 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 -0.6494 Soluble
108 N C -1.0635 Soluble
109 N C -0.9993 Soluble
114 W C 0.0660 Aggregation-prone
115 P C 0.0000 Buried
116 T C 0.0000 Buried
117 T C -0.1262 Soluble
118 F C 0.2807 Aggregation-prone
119 G C 0.0000 Buried
120 A C -0.2217 Soluble
121 G C -0.1720 Soluble
122 T C 0.0000 Buried
123 K C -0.1219 Soluble
124 L C 0.0000 Buried
125 E C -0.8194 Soluble
126 L C 0.0000 Buried
127 K C -1.8280 Soluble
128 R C -1.1782 Soluble
129 T C 0.1053 Aggregation-prone
130 V C 1.0251 Aggregation-prone
131 A C 0.4731 Aggregation-prone
132 A C 0.0603 Aggregation-prone
133 P C 0.0000 Buried
134 S C -0.1197 Soluble
135 V C 0.0146 Aggregation-prone
136 F C 0.1499 Aggregation-prone
137 I C 0.0869 Aggregation-prone
138 F C 0.0000 Buried
139 P C -0.5279 Soluble
140 P C 0.0000 Buried
141 S C -1.6140 Soluble
142 D C -2.9471 Soluble
143 E C -2.8963 Soluble
144 Q C 0.0000 Buried
145 L C -2.0428 Soluble
146 K C -2.8183 Soluble
147 S C -1.7378 Soluble
148 G C -1.5348 Soluble
149 T C -1.2413 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 -0.3484 Soluble
158 N C -0.8118 Soluble
159 F C 0.0000 Buried
160 Y C 0.0000 Buried
161 P C -1.3733 Soluble
162 R C -2.3962 Soluble
163 E C -2.9500 Soluble
164 A C -2.2451 Soluble
165 K C -2.4145 Soluble
166 V C -1.2831 Soluble
167 Q C -0.7076 Soluble
168 W C 0.0000 Buried
169 K C -0.7848 Soluble
170 V C 0.0000 Buried
171 D C -2.0625 Soluble
172 N C -1.6559 Soluble
173 A C -0.3790 Soluble
174 L C 0.3551 Aggregation-prone
175 Q C -0.4098 Soluble
176 S C -0.6323 Soluble
177 G C -1.0722 Soluble
178 N C -1.3225 Soluble
179 S C -1.3422 Soluble
180 Q C -1.3479 Soluble
181 E C -1.5483 Soluble
182 S C -0.8026 Soluble
183 V C -0.6044 Soluble
184 T C -0.9639 Soluble
185 E C -2.0905 Soluble
186 Q C 0.0000 Buried
187 D C -1.8983 Soluble
188 S C -2.4332 Soluble
189 K C -2.7348 Soluble
190 D C -1.9613 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 -0.6437 Soluble
199 L C 0.0000 Buried
200 T C -0.5010 Soluble
201 L C -0.8820 Soluble
202 S C -1.2319 Soluble
203 K C -2.1999 Soluble
204 A C -2.1799 Soluble
205 D C -3.2432 Soluble
206 Y C 0.0000 Buried
207 E C -4.0333 Soluble
208 K C -4.0417 Soluble
209 H C -3.5498 Soluble
210 K C -3.2766 Soluble
211 V C -1.5631 Soluble
212 Y C 0.0000 Buried
213 A C -0.9074 Soluble
214 C C 0.0000 Buried
215 E C -1.0117 Soluble
216 V C 0.0000 Buried
217 T C -1.2140 Soluble
218 H C 0.0000 Buried
219 Q C -1.5908 Soluble
220 G C -0.2747 Soluble
221 L C -0.1607 Soluble
222 S C -0.4544 Soluble
223 S C -0.4170 Soluble
224 P C -0.5660 Soluble
225 V C -0.0527 Soluble
226 T C -0.5505 Soluble
227 K C -0.7621 Soluble
228 S C -0.6349 Soluble
229 F C -0.6502 Soluble
230 N C -1.5405 Soluble
231 R C -2.1732 Soluble
232 G C -1.3347 Soluble
233 A C -0.6896 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
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 -0.685 2.3066 CSV PDB
4.5 -0.7231 2.2687 CSV PDB
5.0 -0.7686 2.2593 CSV PDB
5.5 -0.8124 2.2531 CSV PDB
6.0 -0.8438 2.2549 CSV PDB
6.5 -0.8539 2.271 CSV PDB
7.0 -0.8426 2.3022 CSV PDB
7.5 -0.8169 2.3429 CSV PDB
8.0 -0.7833 2.3884 CSV PDB
8.5 -0.744 2.4374 CSV PDB
9.0 -0.6994 2.4896 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH