Talquetamab / 9ima

A4DAB253_9ima_C_D | Source PDB: 9ima | Chains: C, D | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7404
Max Score
1.1684
Min Score
-3.6178
Total Score
-322.06
Score CDR
-0.4909
Score non-CDR
-0.7692

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGYSFTGYTMNWVRQAPGQGLEWMGLINPYNSDTNYAQKLQGRVTMTTDTSTSTAYMELRSLRSDDTAVYYCARVALRVALDYWGQGTLVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESKYGDIQMTQSPSSLSASVGDRVTITCKASQNVATHVGWYQQKPGKAPKRLIYSASYRYSGVPSRFSGSGSGTEFTLTISNLQPEDFATYYCQQYNRYPYTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input.pdb
Selected Chain(s) C (Heavy), D (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 -3.6178
Maximum Score 1.1684
Average Score -0.7404
Total Score -322.061

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

Index Residue Chain A4D Score Classification
1 Q C -1.4464 Soluble
2 V C -0.8906 Soluble
3 Q C -1.3054 Soluble
4 L C 0.0000 Buried
5 V C -0.0937 Soluble
6 Q C -0.3871 Soluble
7 S C -0.7671 Soluble
8 G C -0.7441 Soluble
9 A C -0.3440 Soluble
11 E C -1.0254 Soluble
12 V C -0.3359 Soluble
13 K C -1.5001 Soluble
14 K C -2.3875 Soluble
15 P C -2.3858 Soluble
16 G C -1.7505 Soluble
17 A C -1.4036 Soluble
18 S C -1.5864 Soluble
19 V C 0.0000 Buried
20 K C -1.9847 Soluble
21 V C 0.0000 Buried
22 S C -0.4694 Soluble
23 C C 0.0000 Buried
24 K C -0.8025 Soluble
25 A C 0.0000 Buried
26 S C -0.8123 Soluble
27 G C -0.8617 Soluble
28 Y C -0.3695 Soluble
29 S C -0.2267 Soluble
30 F C 0.0000 Buried
35 T C -0.0897 Soluble
36 G C -0.0082 Soluble
37 Y C 0.6081 Aggregation-prone
38 T C 0.1839 Aggregation-prone
39 M C 0.0000 Buried
40 N C 0.0000 Buried
41 W C 0.0000 Buried
42 V C 0.0000 Buried
43 R C 0.0000 Buried
44 Q C 0.0000 Buried
45 A C -0.9296 Soluble
46 P C -0.9214 Soluble
47 G C -1.2218 Soluble
48 Q C -1.8387 Soluble
49 G C -1.3016 Soluble
50 L C 0.0000 Buried
51 E C -0.8442 Soluble
52 W C 0.0000 Buried
53 M C 0.0000 Buried
54 G C 0.0000 Buried
55 L C 0.0000 Buried
56 I C 0.0000 Buried
57 N C -0.9832 Soluble
58 P C 0.0000 Buried
59 Y C 0.1616 Aggregation-prone
62 N C -1.3953 Soluble
63 S C -1.6250 Soluble
64 D C -2.3345 Soluble
65 T C -1.4378 Soluble
66 N C -1.1141 Soluble
67 Y C -0.8837 Soluble
68 A C 0.0000 Buried
69 Q C -2.6376 Soluble
70 K C -2.6753 Soluble
71 L C 0.0000 Buried
72 Q C -2.3577 Soluble
74 G C -1.6720 Soluble
75 R C -1.4392 Soluble
76 V C 0.0000 Buried
77 T C -0.7129 Soluble
78 M C 0.0000 Buried
79 T C -0.4377 Soluble
80 T C -0.6161 Soluble
81 D C -0.9808 Soluble
82 T C -0.4431 Soluble
83 S C -0.5354 Soluble
84 T C -0.6052 Soluble
85 S C -0.6791 Soluble
86 T C 0.0000 Buried
87 A C 0.0000 Buried
88 Y C -0.2677 Soluble
89 M C 0.0000 Buried
90 E C -1.1550 Soluble
91 L C 0.0000 Buried
92 R C -1.6955 Soluble
93 S C -1.5439 Soluble
94 L C 0.0000 Buried
95 R C -3.1639 Soluble
96 S C -2.3748 Soluble
97 D C -2.5351 Soluble
98 D C 0.0000 Buried
99 T C -0.9099 Soluble
100 A C 0.0000 Buried
101 V C 0.3711 Aggregation-prone
102 Y C 0.0000 Buried
103 Y C 0.0000 Buried
104 C C 0.0000 Buried
105 A C 0.0000 Buried
106 R C 0.0000 Buried
107 V C 0.6194 Aggregation-prone
108 A C 0.6676 Aggregation-prone
109 L C 0.8639 Aggregation-prone
110 R C -0.9729 Soluble
113 V C -0.0902 Soluble
114 A C 0.0000 Buried
115 L C 0.0000 Buried
116 D C 0.0000 Buried
117 Y C 0.0284 Aggregation-prone
118 W C -0.2375 Soluble
119 G C 0.0000 Buried
120 Q C -1.4911 Soluble
121 G C -0.7368 Soluble
122 T C 0.0000 Buried
123 L C 0.2790 Aggregation-prone
124 V C 0.0000 Buried
125 T C -0.7201 Soluble
126 V C 0.0000 Buried
127 S C -1.3329 Soluble
128 S C -1.1680 Soluble
129 A C -0.6795 Soluble
130 S C -0.7613 Soluble
131 T C -0.7455 Soluble
132 K C -1.3272 Soluble
133 G C -1.4788 Soluble
134 P C 0.0000 Buried
135 S C -0.3342 Soluble
136 V C 0.0000 Buried
137 F C 0.0000 Buried
138 P C -1.1453 Soluble
139 L C 0.0000 Buried
140 A C -0.4856 Soluble
141 P C -0.4355 Soluble
142 C C -0.9393 Soluble
143 S C -1.0524 Soluble
144 R C -1.2781 Soluble
145 S C -1.2640 Soluble
146 T C -1.0539 Soluble
147 S C -1.4163 Soluble
148 E C -2.2477 Soluble
149 S C -1.4984 Soluble
150 T C -0.9497 Soluble
151 A C -0.7500 Soluble
152 A C 0.0000 Buried
153 L C 0.0000 Buried
154 G C 0.0000 Buried
155 C C 0.0000 Buried
156 L C 0.0000 Buried
157 V C 0.0000 Buried
158 K C 0.0000 Buried
159 D C -0.6951 Soluble
160 Y C 0.0000 Buried
161 F C 0.0000 Buried
162 P C -0.8193 Soluble
163 E C -0.9405 Soluble
164 P C -1.1706 Soluble
165 V C 0.0000 Buried
166 T C -0.9341 Soluble
167 V C 0.0000 Buried
168 S C -0.7343 Soluble
169 W C 0.0000 Buried
170 N C -1.0668 Soluble
171 S C -0.6557 Soluble
172 G C -0.6229 Soluble
173 A C -0.2696 Soluble
174 L C -0.0201 Soluble
175 T C -0.1374 Soluble
176 S C -0.1686 Soluble
177 G C -0.2091 Soluble
178 V C 0.2061 Aggregation-prone
179 H C -0.1153 Soluble
180 T C -0.0404 Soluble
181 F C 0.0000 Buried
182 P C -0.3605 Soluble
183 A C 0.1296 Aggregation-prone
184 V C 0.4419 Aggregation-prone
185 L C 1.1684 Aggregation-prone
186 Q C 0.1211 Aggregation-prone
187 S C -0.1121 Soluble
188 S C -0.2891 Soluble
189 G C -0.0962 Soluble
190 L C 0.0000 Buried
191 Y C 0.1758 Aggregation-prone
192 S C 0.0000 Buried
193 L C 0.0000 Buried
194 S C 0.0000 Buried
195 S C 0.0000 Buried
196 V C 0.0000 Buried
197 V C 0.0000 Buried
198 T C -0.1214 Soluble
199 V C 0.0000 Buried
200 P C -0.7429 Soluble
201 S C -1.0589 Soluble
202 S C -0.7392 Soluble
203 S C -0.8611 Soluble
204 L C 0.0000 Buried
205 G C -1.1475 Soluble
206 T C -1.1813 Soluble
207 K C -1.9878 Soluble
208 T C -1.4951 Soluble
209 Y C 0.0000 Buried
210 T C -1.5775 Soluble
211 C C 0.0000 Buried
212 N C -1.8838 Soluble
213 V C 0.0000 Buried
214 D C -2.9115 Soluble
215 H C 0.0000 Buried
216 K C -3.0006 Soluble
217 P C -1.8129 Soluble
218 S C -2.0060 Soluble
219 N C -2.6644 Soluble
220 T C -2.4287 Soluble
221 K C -2.8572 Soluble
222 V C -1.5497 Soluble
223 D C -2.6859 Soluble
224 K C -2.1748 Soluble
225 R C -2.6130 Soluble
226 V C 0.0000 Buried
227 E C -1.5778 Soluble
228 S C 0.0000 Buried
229 K C -1.4746 Soluble
230 Y C 0.1677 Aggregation-prone
231 G C -0.5256 Soluble
1 D D -2.4600 Soluble
2 I D 0.0000 Buried
3 Q D -2.1130 Soluble
4 M D 0.0000 Buried
5 T D -0.9962 Soluble
6 Q D 0.0000 Buried
7 S D -0.5102 Soluble
8 P D -0.6026 Soluble
9 S D -0.9189 Soluble
10 S D -0.9217 Soluble
11 L D -0.5560 Soluble
12 S D -0.9722 Soluble
13 A D -0.8815 Soluble
14 S D -0.7044 Soluble
15 V D 0.1501 Aggregation-prone
16 G D -1.2694 Soluble
17 D D -2.1827 Soluble
18 R D -2.7115 Soluble
19 V D 0.0000 Buried
20 T D -0.4705 Soluble
21 I D 0.0000 Buried
22 T D -0.7368 Soluble
23 C D 0.0000 Buried
24 K D -2.2637 Soluble
25 A D 0.0000 Buried
26 S D -2.0156 Soluble
27 Q D -2.4469 Soluble
28 N D -2.3679 Soluble
29 V D 0.0000 Buried
36 A D -1.0753 Soluble
37 T D -0.8357 Soluble
38 H D -1.1697 Soluble
39 V D 0.0000 Buried
40 G D 0.0000 Buried
41 W D 0.0000 Buried
42 Y D 0.0000 Buried
43 Q D 0.0000 Buried
44 Q D 0.0000 Buried
45 K D -1.7804 Soluble
46 P D -1.4896 Soluble
47 G D -1.6417 Soluble
48 K D -2.6217 Soluble
49 A D -1.6893 Soluble
50 P D 0.0000 Buried
51 K D -1.7343 Soluble
52 R D -1.1373 Soluble
53 L D 0.0000 Buried
54 I D 0.0000 Buried
55 Y D -0.1583 Soluble
56 S D -0.2830 Soluble
57 A D 0.0000 Buried
65 S D 0.0105 Aggregation-prone
66 Y D 0.4760 Aggregation-prone
67 R D -1.1541 Soluble
68 Y D 0.0000 Buried
69 S D -0.6757 Soluble
70 G D -0.7943 Soluble
71 V D -0.8473 Soluble
72 P D -0.6105 Soluble
74 S D -0.8660 Soluble
75 R D -1.0704 Soluble
76 F D 0.0000 Buried
77 S D -0.4041 Soluble
78 G D 0.0000 Buried
79 S D -0.4854 Soluble
80 G D -1.1150 Soluble
83 S D -1.2836 Soluble
84 G D -1.5675 Soluble
85 T D -2.0524 Soluble
86 E D -2.5433 Soluble
87 F D 0.0000 Buried
88 T D -0.7555 Soluble
89 L D 0.0000 Buried
90 T D -0.6973 Soluble
91 I D 0.0000 Buried
92 S D -2.0272 Soluble
93 N D -2.2299 Soluble
94 L D 0.0000 Buried
95 Q D -1.1850 Soluble
96 P D -0.9173 Soluble
97 E D -1.8556 Soluble
98 D D 0.0000 Buried
99 F D -0.6584 Soluble
100 A D 0.0000 Buried
101 T D 0.0000 Buried
102 Y D 0.0000 Buried
103 Y D 0.0000 Buried
104 C D 0.0000 Buried
105 Q D 0.0000 Buried
106 Q D 0.0000 Buried
107 Y D -0.5871 Soluble
108 N D -1.7088 Soluble
109 R D -1.9492 Soluble
114 Y D -0.4566 Soluble
115 P D -0.6722 Soluble
116 Y D -0.4858 Soluble
117 T D -0.8019 Soluble
118 F D -0.3785 Soluble
119 G D 0.0000 Buried
120 Q D -1.7161 Soluble
121 G D -1.2606 Soluble
122 T D 0.0000 Buried
123 K D -1.9961 Soluble
124 L D 0.0000 Buried
125 E D -1.1794 Soluble
126 I D -0.4200 Soluble
127 K D -1.2461 Soluble
128 R D -0.9620 Soluble
129 T D 0.0894 Aggregation-prone
130 V D 0.9759 Aggregation-prone
131 A D 0.3979 Aggregation-prone
132 A D 0.0576 Aggregation-prone
133 P D 0.0000 Buried
134 S D -0.0649 Soluble
135 V D 0.0000 Buried
136 F D 0.2405 Aggregation-prone
137 I D 0.1773 Aggregation-prone
138 F D 0.0000 Buried
139 P D -0.2985 Soluble
140 P D 0.0000 Buried
141 S D -1.6954 Soluble
142 D D -2.9611 Soluble
143 E D -2.6768 Soluble
144 Q D 0.0000 Buried
145 L D -2.2670 Soluble
146 K D -2.8138 Soluble
147 S D -1.7914 Soluble
148 G D -1.4431 Soluble
149 T D -1.1577 Soluble
150 A D 0.0000 Buried
151 S D 0.0000 Buried
152 V D 0.0000 Buried
153 V D 0.0000 Buried
154 C D 0.0000 Buried
155 L D 0.0000 Buried
156 L D 0.0000 Buried
157 N D 0.0000 Buried
158 N D -0.9544 Soluble
159 F D 0.0000 Buried
160 Y D 0.0000 Buried
161 P D -1.7174 Soluble
162 R D -3.1840 Soluble
163 E D -3.2859 Soluble
164 A D -2.3959 Soluble
165 K D -2.4783 Soluble
166 V D -1.2084 Soluble
167 Q D -0.4957 Soluble
168 W D 0.0000 Buried
169 K D -0.4689 Soluble
170 V D 0.0000 Buried
171 D D -1.6454 Soluble
172 N D -1.4011 Soluble
173 A D -0.2721 Soluble
174 L D 0.7988 Aggregation-prone
175 Q D -0.0293 Soluble
176 S D -0.3901 Soluble
177 G D -0.9535 Soluble
178 N D -0.8877 Soluble
179 S D -1.3310 Soluble
180 Q D -1.8533 Soluble
181 E D -2.1610 Soluble
182 S D 0.0000 Buried
183 V D -0.8937 Soluble
184 T D -1.1430 Soluble
185 E D -2.3025 Soluble
186 Q D -1.9236 Soluble
187 D D -1.9062 Soluble
188 S D -1.6846 Soluble
189 K D -2.2430 Soluble
190 D D -1.6674 Soluble
191 S D 0.0000 Buried
192 T D 0.0000 Buried
193 Y D 0.0000 Buried
194 S D 0.0000 Buried
195 L D 0.0000 Buried
196 S D 0.0000 Buried
197 S D 0.0000 Buried
198 T D -0.8531 Soluble
199 L D 0.0000 Buried
200 T D -0.4550 Soluble
201 L D -0.6728 Soluble
202 S D -1.1047 Soluble
203 K D -2.1611 Soluble
204 A D -1.9201 Soluble
205 D D -2.5151 Soluble
206 Y D 0.0000 Buried
207 E D -3.6178 Soluble
208 K D -3.4000 Soluble
209 H D -2.6877 Soluble
210 K D -2.6706 Soluble
211 V D -1.1915 Soluble
212 Y D 0.0000 Buried
213 A D 0.0000 Buried
214 C D 0.0000 Buried
215 E D -0.7543 Soluble
216 V D 0.0000 Buried
217 T D -1.1036 Soluble
218 H D 0.0000 Buried
219 Q D -1.4966 Soluble
220 G D -0.3260 Soluble
221 L D -0.0939 Soluble
222 S D -0.3952 Soluble
223 S D -0.3520 Soluble
224 P D -0.4738 Soluble
225 V D 0.1718 Aggregation-prone
226 T D -0.3520 Soluble
227 K D -0.6540 Soluble
228 S D -0.4489 Soluble
229 F D 0.0000 Buried
230 N D -1.5410 Soluble
231 R D -2.2635 Soluble
232 G D -1.9491 Soluble
233 E D -2.2183 Soluble
234 C D -1.3712 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 -0.841 1.7289 CSV PDB
4.5 -0.8836 1.679 CSV PDB
5.0 -0.9337 1.598 CSV PDB
5.5 -0.9815 1.4979 CSV PDB
6.0 -1.0151 1.4382 CSV PDB
6.5 -1.0255 1.3943 CSV PDB
7.0 -1.0125 1.3517 CSV PDB
7.5 -0.9835 1.331 CSV PDB
8.0 -0.9457 1.3175 CSV PDB
8.5 -0.9015 1.3065 CSV PDB
9.0 -0.851 1.2995 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH