Nirsevimab / 5udd

A4DAB181_5udd_K_Q | Source PDB: 5udd | Chains: K, Q | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6321
Max Score
2.5912
Min Score
-3.7306
Total Score
-272.44
Score CDR
-0.0806
Score non-CDR
-0.7094

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGSSVMVSCQASGGLLEDYIINWVRQAPGQGPEWMGGIIPVLGTVHYGPKFQGRVTITADESTDTAYMELSSLRSEDTAMYYCATETALVVSETYLPHYFDNWGQGTLVTVSSASTKGPSVFPLAPSSTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPDIQMTQSPSSLSAAVGDRVTITCQASQDIVNYLNWYQQKPGKAPKLLIYVASNLETGVPSRFSGSGSGTDFSLTISSLQPEDVATYYCQQYDNLPLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR input.pdb
Selected Chain(s) K (Heavy), Q (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 -3.7306
Maximum Score 2.5912
Average Score -0.6321
Total Score -272.4353

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

Index Residue Chain A4D Score Classification
1 Q K -1.6554 Soluble
2 V K 0.0000 Buried
3 Q K -1.5743 Soluble
4 L K 0.0000 Buried
5 V K 0.5086 Aggregation-prone
6 Q K 0.0000 Buried
7 S K -0.1408 Soluble
8 G K -0.9212 Soluble
9 A K -1.0508 Soluble
11 E K -1.5254 Soluble
12 V K -1.0589 Soluble
13 K K -1.6974 Soluble
14 K K -2.4753 Soluble
15 P K -2.0913 Soluble
16 G K -1.7469 Soluble
17 S K -1.3349 Soluble
18 S K -0.8173 Soluble
19 V K 0.0000 Buried
20 M K 0.3622 Aggregation-prone
21 V K 0.0000 Buried
22 S K 0.2383 Aggregation-prone
23 C K 0.0000 Buried
24 Q K -0.1182 Soluble
25 A K 0.0000 Buried
26 S K -0.6744 Soluble
27 G K -0.8101 Soluble
28 G K -0.3260 Soluble
29 L K 0.2404 Aggregation-prone
30 L K 0.0000 Buried
35 E K -0.6440 Soluble
36 D K 0.2474 Aggregation-prone
37 Y K 0.0000 Buried
38 I K 0.0000 Buried
39 I K 0.0000 Buried
40 N K 0.0000 Buried
41 W K 0.0000 Buried
42 V K 0.0000 Buried
43 R K 0.0000 Buried
44 Q K 0.0000 Buried
45 A K -0.7834 Soluble
46 P K -0.8143 Soluble
47 G K -1.2126 Soluble
48 Q K -1.7793 Soluble
49 G K -1.1910 Soluble
50 P K 0.0000 Buried
51 E K -1.1718 Soluble
52 W K 0.0000 Buried
53 M K 0.0000 Buried
54 G K 0.0000 Buried
55 G K 0.0000 Buried
56 I K 0.0000 Buried
57 I K 0.0000 Buried
58 P K 0.0833 Aggregation-prone
59 V K 1.0749 Aggregation-prone
62 L K 0.6460 Aggregation-prone
63 G K 0.2181 Aggregation-prone
64 T K 0.4815 Aggregation-prone
65 V K 0.6065 Aggregation-prone
66 H K 0.1108 Aggregation-prone
67 Y K -0.4025 Soluble
68 G K 0.0000 Buried
69 P K -1.6510 Soluble
70 K K -2.3000 Soluble
71 F K 0.0000 Buried
72 Q K -2.0200 Soluble
74 G K -1.4479 Soluble
75 R K -1.3403 Soluble
76 V K 0.0000 Buried
77 T K -0.4636 Soluble
78 I K 0.0000 Buried
79 T K -0.3811 Soluble
80 A K -0.9705 Soluble
81 D K -1.6433 Soluble
82 E K -2.0038 Soluble
83 S K -1.1093 Soluble
84 T K -0.8844 Soluble
85 D K -1.0999 Soluble
86 T K 0.0000 Buried
87 A K 0.0000 Buried
88 Y K 0.0878 Aggregation-prone
89 M K 0.0000 Buried
90 E K -0.5781 Soluble
91 L K 0.0000 Buried
92 S K -0.8857 Soluble
93 S K -1.2396 Soluble
94 L K 0.0000 Buried
95 R K -2.5716 Soluble
96 S K -1.4277 Soluble
97 E K -1.1730 Soluble
98 D K 0.0000 Buried
99 T K -0.4584 Soluble
100 A K 0.0000 Buried
101 M K 0.1061 Aggregation-prone
102 Y K 0.0000 Buried
103 Y K 0.0000 Buried
104 C K 0.0000 Buried
105 A K 0.0000 Buried
106 T K 0.0000 Buried
107 E K 0.0000 Buried
108 T K 0.2486 Aggregation-prone
109 A K 0.0000 Buried
110 L K 2.3136 Aggregation-prone
111 V K 2.5912 Aggregation-prone
111A V K 1.4522 Aggregation-prone
111B S K -0.0427 Soluble
111C E K -1.4978 Soluble
112C T K -0.6874 Soluble
112B Y K 0.1611 Aggregation-prone
112A L K -0.0002 Soluble
112 P K 0.0000 Buried
113 H K -0.0894 Soluble
114 Y K 0.1867 Aggregation-prone
115 F K 0.0000 Buried
116 D K -0.9608 Soluble
117 N K -1.1839 Soluble
118 W K 0.0000 Buried
119 G K 0.0000 Buried
120 Q K -1.4708 Soluble
121 G K -0.7412 Soluble
122 T K 0.0000 Buried
123 L K -0.1748 Soluble
124 V K 0.0000 Buried
125 T K -0.5335 Soluble
126 V K -1.3092 Soluble
127 S K -1.0872 Soluble
128 S K -0.8870 Soluble
129 A K -0.5459 Soluble
130 S K -0.6966 Soluble
131 T K -0.9049 Soluble
132 K K -1.1265 Soluble
133 G K -1.3015 Soluble
134 P K -0.5766 Soluble
135 S K -0.2964 Soluble
136 V K 0.0000 Buried
137 F K 0.0000 Buried
138 P K -1.2509 Soluble
139 L K 0.0000 Buried
140 A K -0.6385 Soluble
141 P K 0.0000 Buried
142 S K -0.4875 Soluble
143 S K -0.3393 Soluble
144 T K -0.3016 Soluble
145 A K 0.0000 Buried
146 A K 0.0000 Buried
147 L K 0.0000 Buried
148 G K 0.0000 Buried
149 C K 0.0000 Buried
150 L K 0.0000 Buried
151 V K 0.0000 Buried
152 K K 0.0000 Buried
153 D K -0.3996 Soluble
154 Y K 0.0000 Buried
155 F K 0.0000 Buried
156 P K 0.0000 Buried
157 E K -0.5809 Soluble
158 P K -0.7338 Soluble
159 V K 0.0000 Buried
160 T K -0.4243 Soluble
161 V K -0.2633 Soluble
162 S K -0.2876 Soluble
163 W K 0.0000 Buried
164 N K -0.4859 Soluble
165 S K -0.7322 Soluble
166 G K -0.5328 Soluble
167 A K -0.2523 Soluble
168 L K -0.0275 Soluble
169 T K -0.1607 Soluble
170 S K -0.1602 Soluble
171 G K -0.1438 Soluble
172 V K 0.2422 Aggregation-prone
173 H K -0.2160 Soluble
174 T K -0.0548 Soluble
175 F K 0.0000 Buried
176 P K -0.2202 Soluble
177 A K 0.3483 Aggregation-prone
178 V K 0.6496 Aggregation-prone
179 L K 1.1980 Aggregation-prone
180 Q K 0.2562 Aggregation-prone
181 S K -0.0704 Soluble
182 S K -0.2330 Soluble
183 G K -0.0194 Soluble
184 L K 0.1099 Aggregation-prone
185 Y K 0.4957 Aggregation-prone
186 S K 0.0000 Buried
187 L K 0.3192 Aggregation-prone
188 S K 0.0000 Buried
189 S K 0.0000 Buried
190 V K 0.0000 Buried
191 V K 0.0000 Buried
192 T K -0.1366 Soluble
193 V K 0.0000 Buried
194 P K -0.4146 Soluble
195 S K -0.5112 Soluble
196 S K -0.5655 Soluble
197 S K -0.6391 Soluble
198 L K -0.8989 Soluble
199 G K -1.0669 Soluble
200 T K -0.7141 Soluble
201 Q K -1.2723 Soluble
202 T K -1.2270 Soluble
203 Y K 0.0000 Buried
204 I K -1.4108 Soluble
205 C K 0.0000 Buried
206 N K -1.6515 Soluble
207 V K 0.0000 Buried
208 N K -1.9675 Soluble
209 H K 0.0000 Buried
210 K K -3.0099 Soluble
211 P K -1.9354 Soluble
212 S K -1.9522 Soluble
213 N K -2.5602 Soluble
214 T K -2.0527 Soluble
215 K K -2.7818 Soluble
216 V K -1.8209 Soluble
217 D K -2.6804 Soluble
218 K K -2.1924 Soluble
219 R K -2.7886 Soluble
220 V K 0.0000 Buried
221 E K -2.4941 Soluble
222 P K -1.2381 Soluble
1 D Q -2.3829 Soluble
2 I Q 0.0000 Buried
3 Q Q -2.0076 Soluble
4 M Q 0.0000 Buried
5 T Q -1.0089 Soluble
6 Q Q 0.0000 Buried
7 S Q -0.6991 Soluble
8 P Q -0.6415 Soluble
9 S Q -0.9097 Soluble
10 S Q -1.0203 Soluble
11 L Q -0.6976 Soluble
12 S Q -0.8728 Soluble
13 A Q -1.0143 Soluble
14 A Q -0.8635 Soluble
15 V Q 0.1399 Aggregation-prone
16 G Q -0.7570 Soluble
17 D Q -1.8075 Soluble
18 R Q -2.3902 Soluble
19 V Q 0.0000 Buried
20 T Q -0.6529 Soluble
21 I Q 0.0000 Buried
22 T Q -0.6652 Soluble
23 C Q 0.0000 Buried
24 Q Q -1.9179 Soluble
25 A Q -1.8224 Soluble
26 S Q -1.9490 Soluble
27 Q Q -2.3045 Soluble
28 D Q -2.1737 Soluble
29 I Q 0.0000 Buried
36 V Q 0.5888 Aggregation-prone
37 N Q 0.1857 Aggregation-prone
38 Y Q 0.5515 Aggregation-prone
39 L Q 0.0000 Buried
40 N Q 0.0000 Buried
41 W Q 0.0000 Buried
42 Y Q 0.0000 Buried
43 Q Q 0.0000 Buried
44 Q Q 0.0000 Buried
45 K Q -1.6833 Soluble
46 P Q -1.4056 Soluble
47 G Q -1.7267 Soluble
48 K Q -2.4604 Soluble
49 A Q -1.6117 Soluble
50 P Q 0.0000 Buried
51 K Q -1.6768 Soluble
52 L Q 0.0000 Buried
53 L Q 0.0000 Buried
54 I Q 0.0000 Buried
55 Y Q 0.2192 Aggregation-prone
56 V Q 0.6869 Aggregation-prone
57 A Q 0.0000 Buried
65 S Q -0.6213 Soluble
66 N Q -0.9070 Soluble
67 L Q -0.2700 Soluble
68 E Q -0.8235 Soluble
69 T Q -0.5426 Soluble
70 G Q -0.5835 Soluble
71 V Q 0.0000 Buried
72 P Q -0.4097 Soluble
74 S Q -0.4567 Soluble
75 R Q -0.6987 Soluble
76 F Q 0.0000 Buried
77 S Q -0.5591 Soluble
78 G Q -0.4175 Soluble
79 S Q -0.8553 Soluble
80 G Q -0.7610 Soluble
83 S Q -0.5756 Soluble
84 G Q -0.9157 Soluble
85 T Q -1.6495 Soluble
86 D Q -2.1093 Soluble
87 F Q 0.0000 Buried
88 S Q -0.7114 Soluble
89 L Q 0.0000 Buried
90 T Q -0.6250 Soluble
91 I Q 0.0000 Buried
92 S Q -1.5406 Soluble
93 S Q -1.2352 Soluble
94 L Q 0.0000 Buried
95 Q Q -0.8997 Soluble
96 P Q -1.5088 Soluble
97 E Q -1.8845 Soluble
98 D Q 0.0000 Buried
99 V Q 0.0000 Buried
100 A Q 0.0000 Buried
101 T Q -0.9590 Soluble
102 Y Q 0.0000 Buried
103 Y Q 0.0000 Buried
104 C Q 0.0000 Buried
105 Q Q 0.0000 Buried
106 Q Q 0.0000 Buried
107 Y Q 0.0000 Buried
108 D Q -1.1340 Soluble
109 N Q -1.6095 Soluble
114 L Q -0.8124 Soluble
115 P Q -0.9850 Soluble
116 L Q 0.0000 Buried
117 T Q -0.9540 Soluble
118 F Q -0.3572 Soluble
119 G Q 0.0000 Buried
120 G Q -1.0534 Soluble
121 G Q 0.0000 Buried
122 T Q 0.0000 Buried
123 K Q -1.9829 Soluble
124 V Q 0.0000 Buried
125 E Q -1.2747 Soluble
126 I Q 0.0000 Buried
127 K Q -1.6243 Soluble
128 R Q -1.0074 Soluble
129 T Q 0.0117 Aggregation-prone
130 V Q 0.8471 Aggregation-prone
131 A Q 0.4106 Aggregation-prone
132 A Q 0.0424 Aggregation-prone
133 P Q 0.0000 Buried
134 S Q -0.0768 Soluble
135 V Q 0.0000 Buried
136 F Q 0.1622 Aggregation-prone
137 I Q 0.1443 Aggregation-prone
138 F Q 0.0000 Buried
139 P Q -0.7696 Soluble
140 P Q -1.0283 Soluble
141 S Q -1.6791 Soluble
142 D Q -2.9815 Soluble
143 E Q -3.1405 Soluble
144 Q Q 0.0000 Buried
145 L Q -2.2999 Soluble
146 K Q -2.8092 Soluble
147 S Q -1.8056 Soluble
148 G Q -1.4285 Soluble
149 T Q -1.1002 Soluble
150 A Q 0.0000 Buried
151 S Q 0.0000 Buried
152 V Q 0.0000 Buried
153 V Q 0.0000 Buried
154 C Q 0.0000 Buried
155 L Q 0.0000 Buried
156 L Q 0.0000 Buried
157 N Q 0.0000 Buried
158 N Q -0.6112 Soluble
159 F Q 0.0000 Buried
160 Y Q 0.0000 Buried
161 P Q -1.4278 Soluble
162 R Q -2.1179 Soluble
163 E Q -3.0169 Soluble
164 A Q -2.2280 Soluble
165 K Q -2.1046 Soluble
166 V Q -1.0704 Soluble
167 Q Q -0.6390 Soluble
168 W Q 0.0000 Buried
169 K Q -0.6798 Soluble
170 V Q 0.0000 Buried
171 D Q -2.0271 Soluble
172 N Q -1.5425 Soluble
173 A Q -0.5087 Soluble
174 L Q 0.2631 Aggregation-prone
175 Q Q -0.4547 Soluble
176 S Q -0.6339 Soluble
177 G Q -1.1485 Soluble
178 N Q -1.1753 Soluble
179 S Q -1.3038 Soluble
180 Q Q -1.5355 Soluble
181 E Q -1.6296 Soluble
182 S Q -0.4905 Soluble
183 V Q -0.1279 Soluble
184 T Q -0.7890 Soluble
185 E Q -1.9602 Soluble
186 Q Q 0.0000 Buried
187 D Q -1.9463 Soluble
188 S Q -2.0619 Soluble
189 K Q -2.4899 Soluble
190 D Q -1.8200 Soluble
191 S Q 0.0000 Buried
192 T Q 0.0000 Buried
193 Y Q 0.0000 Buried
194 S Q 0.0000 Buried
195 L Q -0.2880 Soluble
196 S Q 0.0000 Buried
197 S Q 0.0000 Buried
198 T Q -0.6604 Soluble
199 L Q 0.0000 Buried
200 T Q -0.3071 Soluble
201 L Q -0.6296 Soluble
202 S Q -1.3555 Soluble
203 K Q -2.3505 Soluble
204 A Q -2.0112 Soluble
205 D Q -2.8439 Soluble
206 Y Q 0.0000 Buried
207 E Q -3.5187 Soluble
208 K Q -3.7306 Soluble
209 H Q -3.2819 Soluble
210 K Q -3.5240 Soluble
211 V Q -2.1376 Soluble
212 Y Q 0.0000 Buried
213 A Q 0.0000 Buried
214 C Q 0.0000 Buried
215 E Q -0.5907 Soluble
216 V Q 0.0000 Buried
217 T Q -1.0666 Soluble
218 H Q -1.3778 Soluble
219 Q Q -1.3204 Soluble
220 G Q -0.4072 Soluble
221 L Q -0.3788 Soluble
222 S Q -0.4701 Soluble
223 S Q -0.3685 Soluble
224 P Q -0.2128 Soluble
225 V Q 0.0773 Aggregation-prone
226 T Q -0.4241 Soluble
227 K Q -0.8094 Soluble
228 S Q -1.0416 Soluble
229 F Q -1.3496 Soluble
230 N Q -2.6279 Soluble
231 R Q -3.3876 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 -0.6408 2.6686 CSV PDB
4.5 -0.6887 2.6126 CSV PDB
5.0 -0.7441 2.5417 CSV PDB
5.5 -0.7968 2.4645 CSV PDB
6.0 -0.8362 2.3879 CSV PDB
6.5 -0.8539 2.3178 CSV PDB
7.0 -0.8496 2.2646 CSV PDB
7.5 -0.8308 2.2457 CSV PDB
8.0 -0.8039 2.2275 CSV PDB
8.5 -0.7708 2.211 CSV PDB
9.0 -0.731 2.1983 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH