Tomuzotuximab / 5ff6

A4DAB272_5ff6_B_A | Source PDB: 5ff6 | Chains: B, A | Done
99.56
Yes
10 Å
Yes
Avg A4D Score
-0.6653
Max Score
1.97
Min Score
-3.6403
Total Score
-287.4
Score CDR
-0.3027
Score non-CDR
-0.7085

Calculation Parameters

Chain Sequence(s) QVQLKQSGPGLVQPSQSLSITCTVSGFSLTNYGVHWVRQSPGKGLEWLGVIWSGGNTDYNTPFTSRLSINKDNSKSQVFFKMNSLQSNDTAIYYCARALTYYDYEFAYWGQGTLVTVSAASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKDILLTQSPVILSVSPGERVSFSCRASQSIGTNIHWYQQRTNGSPRLLIKYASESISGIPSRFSGSGSGTDFTLSINSVESEDIADYYCQQNNNWPTTFGAGTKLELKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGA 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 -3.6403
Maximum Score 1.97
Average Score -0.6653
Total Score -287.3952

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

Index Residue Chain A4D Score Classification
1 Q B -1.5124 Soluble
2 V B -0.9868 Soluble
3 Q B -1.8326 Soluble
4 L B 0.0000 Buried
5 K B -2.2785 Soluble
6 Q B 0.0000 Buried
7 S B -0.7557 Soluble
8 G B -0.9922 Soluble
9 P B -0.3662 Soluble
11 G B -0.3204 Soluble
12 L B 0.0475 Aggregation-prone
13 V B -0.6270 Soluble
14 Q B -1.2948 Soluble
15 P B -1.3264 Soluble
16 S B -1.4594 Soluble
17 Q B -1.7296 Soluble
18 S B -1.3909 Soluble
19 L B 0.0000 Buried
20 S B -0.4755 Soluble
21 I B 0.0000 Buried
22 T B -0.4478 Soluble
23 C B 0.0000 Buried
24 T B -1.1488 Soluble
25 V B 0.0000 Buried
26 S B -1.0850 Soluble
27 G B -1.0165 Soluble
28 F B -0.5462 Soluble
29 S B -0.8470 Soluble
30 L B 0.0000 Buried
35 T B -0.8759 Soluble
36 N B -0.8473 Soluble
37 Y B 0.4169 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 -0.4740 Soluble
45 S B -1.0200 Soluble
46 P B -1.1788 Soluble
47 G B -1.7475 Soluble
48 K B -2.2928 Soluble
49 G B -1.1796 Soluble
50 L B 0.0000 Buried
51 E B -0.6020 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 -0.3560 Soluble
58 S B -0.6248 Soluble
59 G B -1.2049 Soluble
63 G B -1.5146 Soluble
64 N B -1.8375 Soluble
65 T B -1.2906 Soluble
66 D B -1.0267 Soluble
67 Y B -0.4478 Soluble
68 N B -0.2549 Soluble
69 T B -0.2600 Soluble
70 P B -0.4051 Soluble
71 F B 0.0000 Buried
72 T B -0.4861 Soluble
74 S B -0.5570 Soluble
75 R B -0.8776 Soluble
76 L B 0.0000 Buried
77 S B -0.8717 Soluble
78 I B 0.0000 Buried
79 N B -1.6782 Soluble
80 K B -1.4395 Soluble
81 D B -1.7369 Soluble
82 N B -2.1142 Soluble
83 S B -1.6342 Soluble
84 K B -2.3162 Soluble
85 S B -1.5253 Soluble
86 Q B -1.4708 Soluble
87 V B 0.0000 Buried
88 F B -0.1816 Soluble
89 F B 0.0000 Buried
90 K B -1.1363 Soluble
91 M B 0.0000 Buried
92 N B -1.4469 Soluble
93 S B -1.3785 Soluble
94 L B 0.0000 Buried
95 Q B -2.1509 Soluble
96 S B -1.5613 Soluble
97 N B -2.1067 Soluble
98 D B 0.0000 Buried
99 T B -0.6136 Soluble
100 A B 0.0000 Buried
101 I B 0.5757 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 0.9942 Aggregation-prone
109 T B 1.1472 Aggregation-prone
110 Y B 1.8683 Aggregation-prone
111 Y B 1.9700 Aggregation-prone
112 D B 0.0000 Buried
113 Y B 0.5985 Aggregation-prone
114 E B 0.0000 Buried
115 F B 0.0000 Buried
116 A B 0.0926 Aggregation-prone
117 Y B -0.0535 Soluble
118 W B -0.6469 Soluble
119 G B 0.0000 Buried
120 Q B -1.8107 Soluble
121 G B -0.8298 Soluble
122 T B 0.0000 Buried
123 L B 0.3163 Aggregation-prone
124 V B 0.0000 Buried
125 T B -0.2488 Soluble
126 V B 0.0000 Buried
127 S B -0.5813 Soluble
128 A B -0.2705 Soluble
129 A B -0.2553 Soluble
130 S B -0.4628 Soluble
131 T B -0.7059 Soluble
132 K B -1.2157 Soluble
133 G B -1.3413 Soluble
134 P B 0.0000 Buried
135 S B -0.3309 Soluble
136 V B 0.0000 Buried
137 F B -0.5414 Soluble
138 P B 0.0000 Buried
139 L B 0.0000 Buried
140 A B -1.3314 Soluble
141 P B 0.0000 Buried
142 S B -1.2193 Soluble
143 S B -0.8125 Soluble
144 K B -1.3010 Soluble
145 S B 0.0000 Buried
146 T B -0.8037 Soluble
147 S B -0.8766 Soluble
148 G B -0.8474 Soluble
149 G B -0.9112 Soluble
150 T B -0.6489 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 -0.3811 Soluble
160 Y B 0.0000 Buried
161 F B 0.0000 Buried
162 P B 0.0000 Buried
163 E B -0.2540 Soluble
164 P B -0.5298 Soluble
165 V B -0.6052 Soluble
166 T B -0.5752 Soluble
167 V B -0.2218 Soluble
168 S B -0.4286 Soluble
169 W B 0.0000 Buried
170 N B -0.8216 Soluble
171 S B -0.6961 Soluble
172 G B -0.5464 Soluble
173 A B -0.2538 Soluble
174 L B -0.0385 Soluble
175 T B -0.1880 Soluble
176 S B -0.2038 Soluble
177 G B -0.2576 Soluble
178 V B 0.1443 Aggregation-prone
179 H B -0.3003 Soluble
180 T B 0.0451 Aggregation-prone
181 F B 0.0000 Buried
182 P B -0.3383 Soluble
183 A B 0.3781 Aggregation-prone
184 V B 0.6476 Aggregation-prone
185 L B 1.3792 Aggregation-prone
186 Q B 0.2674 Aggregation-prone
187 S B -0.0454 Soluble
188 S B -0.1919 Soluble
189 G B 0.1042 Aggregation-prone
190 L B 0.2013 Aggregation-prone
191 Y B 0.5480 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 -0.1298 Soluble
199 V B 0.0000 Buried
200 P B -0.5327 Soluble
201 S B -0.5861 Soluble
202 S B -0.5854 Soluble
203 S B -0.6203 Soluble
204 L B -0.7831 Soluble
205 G B -0.9463 Soluble
206 T B -0.7321 Soluble
207 Q B -1.2315 Soluble
208 T B -1.2022 Soluble
209 Y B 0.0000 Buried
210 I B -1.4668 Soluble
211 C B 0.0000 Buried
212 N B -1.5912 Soluble
213 V B 0.0000 Buried
214 N B -2.0319 Soluble
215 H B 0.0000 Buried
216 K B -2.5934 Soluble
217 P B -1.4897 Soluble
218 S B -1.7593 Soluble
219 N B -2.5138 Soluble
220 T B -2.0579 Soluble
221 K B -2.7517 Soluble
222 V B -1.8430 Soluble
223 D B -2.6573 Soluble
224 K B -2.2949 Soluble
225 R B -2.7257 Soluble
226 V B 0.0000 Buried
227 E B -2.9169 Soluble
228 P B -1.9354 Soluble
229 K B -2.2824 Soluble
1 D A -1.4189 Soluble
2 I A 0.0000 Buried
3 L A 0.5979 Aggregation-prone
4 L A 0.0000 Buried
5 T A -0.3910 Soluble
6 Q A -0.0822 Soluble
7 S A 0.0588 Aggregation-prone
8 P A 0.7831 Aggregation-prone
9 V A 1.7892 Aggregation-prone
10 I A 1.2195 Aggregation-prone
11 L A 0.5539 Aggregation-prone
12 S A -0.3394 Soluble
13 V A -1.2716 Soluble
14 S A -1.8033 Soluble
15 P A -2.0633 Soluble
16 G A -2.1753 Soluble
17 E A -2.8476 Soluble
18 R A -3.1737 Soluble
19 V A 0.0000 Buried
20 S A -0.7102 Soluble
21 F A 0.0000 Buried
22 S A -0.8015 Soluble
23 C A 0.0000 Buried
24 R A -2.3984 Soluble
25 A A -1.2530 Soluble
26 S A -0.9855 Soluble
27 Q A -1.5624 Soluble
28 S A -1.4666 Soluble
29 I A 0.0000 Buried
36 G A -0.9722 Soluble
37 T A -0.7500 Soluble
38 N A -0.7776 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 -1.3720 Soluble
45 R A -1.7553 Soluble
46 T A -1.6877 Soluble
47 N A -1.9541 Soluble
48 G A -1.5268 Soluble
49 S A -1.0511 Soluble
50 P A 0.0000 Buried
51 R A -1.1270 Soluble
52 L A 0.0000 Buried
53 L A 0.0000 Buried
54 I A 0.0000 Buried
55 K A -0.6817 Soluble
56 Y A -0.5680 Soluble
57 A A 0.0000 Buried
65 S A -1.1697 Soluble
66 E A -1.7800 Soluble
67 S A -1.0947 Soluble
68 I A -0.4951 Soluble
69 S A -0.3534 Soluble
70 G A -0.4819 Soluble
71 I A -0.3485 Soluble
72 P A -0.3866 Soluble
74 S A -0.6393 Soluble
75 R A -1.2831 Soluble
76 F A 0.0000 Buried
77 S A -0.8952 Soluble
78 G A -0.7077 Soluble
79 S A -0.8266 Soluble
80 G A -1.0471 Soluble
83 S A -1.0793 Soluble
84 G A -1.2532 Soluble
85 T A -1.7641 Soluble
86 D A -2.2741 Soluble
87 F A 0.0000 Buried
88 T A -0.8443 Soluble
89 L A 0.0000 Buried
90 S A -0.8828 Soluble
91 I A 0.0000 Buried
92 N A -2.3213 Soluble
93 S A -2.3591 Soluble
94 V A 0.0000 Buried
95 E A -2.7405 Soluble
96 S A -2.0410 Soluble
98 D A 0.0000 Buried
99 I A 0.0000 Buried
100 A A 0.0000 Buried
101 D A -0.9565 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 -0.5833 Soluble
108 N A -1.1380 Soluble
109 N A -0.9444 Soluble
114 W A 0.1899 Aggregation-prone
115 P A -0.2141 Soluble
116 T A 0.0000 Buried
117 T A -0.0408 Soluble
118 F A 0.1647 Aggregation-prone
119 G A 0.0000 Buried
120 A A -0.0336 Soluble
121 G A -0.0431 Soluble
122 T A 0.0000 Buried
123 K A -0.5706 Soluble
124 L A 0.0000 Buried
125 E A -0.9795 Soluble
126 L A 0.0000 Buried
127 K A -1.6409 Soluble
128 R A -1.2373 Soluble
129 T A -0.0874 Soluble
130 V A 0.5824 Aggregation-prone
131 A A 0.1368 Aggregation-prone
132 A A -0.0374 Soluble
133 P A 0.0000 Buried
134 S A -0.2679 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 -0.7087 Soluble
140 P A -0.7368 Soluble
141 S A -1.5865 Soluble
142 D A -2.6089 Soluble
143 E A -2.2943 Soluble
144 Q A 0.0000 Buried
145 L A -2.1606 Soluble
146 K A -2.6198 Soluble
147 S A -1.6038 Soluble
148 G A -1.3015 Soluble
149 T A -0.9594 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 -0.8476 Soluble
159 F A 0.0000 Buried
160 Y A -0.8231 Soluble
161 P A -1.3040 Soluble
162 R A -2.2770 Soluble
163 E A -2.8795 Soluble
164 A A -2.1471 Soluble
165 K A -2.3004 Soluble
166 V A -1.1113 Soluble
167 Q A -0.8586 Soluble
168 W A 0.0000 Buried
169 K A -0.5211 Soluble
170 V A 0.0000 Buried
171 D A -1.3697 Soluble
172 N A -1.2575 Soluble
173 A A -0.1130 Soluble
174 L A 0.7461 Aggregation-prone
175 Q A -0.4385 Soluble
176 S A -0.6882 Soluble
177 G A -1.4145 Soluble
178 N A -1.8253 Soluble
179 S A -1.6145 Soluble
180 Q A -1.5705 Soluble
181 E A -1.2623 Soluble
182 S A -0.6217 Soluble
183 V A -0.3699 Soluble
184 T A -0.9996 Soluble
185 E A -2.2627 Soluble
186 Q A 0.0000 Buried
187 D A -1.8661 Soluble
188 S A -1.9727 Soluble
189 K A -2.4823 Soluble
190 D A -1.8449 Soluble
191 S A 0.0000 Buried
192 T A 0.0000 Buried
193 Y A 0.0000 Buried
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 -0.7485 Soluble
199 L A 0.0000 Buried
200 T A -0.7537 Soluble
201 L A -0.8873 Soluble
202 S A -1.0983 Soluble
203 K A -2.1290 Soluble
204 A A -1.9399 Soluble
205 D A -2.6354 Soluble
206 Y A 0.0000 Buried
207 E A -3.6382 Soluble
208 K A -3.6403 Soluble
209 H A -2.7747 Soluble
210 K A -2.6248 Soluble
211 V A -0.8100 Soluble
212 Y A 0.0000 Buried
213 A A -0.6737 Soluble
214 C A 0.0000 Buried
215 E A -0.9842 Soluble
216 V A 0.0000 Buried
217 T A -1.2764 Soluble
218 H A 0.0000 Buried
219 Q A -1.4420 Soluble
220 G A -0.3241 Soluble
221 L A -0.1591 Soluble
222 S A -0.4315 Soluble
223 S A -0.4253 Soluble
224 P A -0.6592 Soluble
225 V A -0.0895 Soluble
226 T A -0.4540 Soluble
227 K A -0.8287 Soluble
228 S A -0.6841 Soluble
229 F A 0.0000 Buried
230 N A -1.3667 Soluble
231 R A -1.9889 Soluble
232 G A -1.0665 Soluble
233 A A -0.6422 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
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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 -0.6867 2.9456 CSV PDB
4.5 -0.7195 2.8985 CSV PDB
5.0 -0.7585 2.8312 CSV PDB
5.5 -0.7959 2.753 CSV PDB
6.0 -0.8216 2.6704 CSV PDB
6.5 -0.8282 2.5864 CSV PDB
7.0 -0.815 2.502 CSV PDB
7.5 -0.7884 2.4178 CSV PDB
8.0 -0.7542 2.3346 CSV PDB
8.5 -0.7146 2.2545 CSV PDB
9.0 -0.6703 2.1827 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH