Nirsevimab / 6s3d

A4DAB181_6s3d_E_F | Source PDB: 6s3d | Chains: E, F | Done
96.14
Yes
10 Å
Yes
Avg A4D Score
-0.6407
Max Score
2.6904
Min Score
-3.7354
Total Score
-269.74
Score CDR
-0.0217
Score non-CDR
-0.7299

Calculation Parameters

Chain Sequence(s) VQLVQSGAEVKKPGSSVMVSCQASGGPLRNYIINWLRQAPGQGPEWMGGIIPVLGTVHYAPKFQGRVTITADESTDTAYIHLISLRSEDTAMYYCATETALVVSTTYLPHYFDNWGQGTLVTVSSASTKGPVFPLATAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIQMTQSPSSLSAAVGDRVTITCQASQDIVNYLNWYQQKPGKAPKLLIYVASNLETGVPSRFSGSGSGTDFSLTISSLQPEDVATYYCQQYDNLPLTFGGGTKVEIKRTVAAPSVFIFPPDEQLKSTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTADYEKHKVYACEVTHQGLSSPVTKSFNR input.pdb
Selected Chain(s) E (Heavy), F (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 -3.7354
Maximum Score 2.6904
Average Score -0.6407
Total Score -269.7413

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

Index Residue Chain A4D Score Classification
2 V E 0.8113 Aggregation-prone
3 Q E -0.5000 Soluble
4 L E 0.0000 Buried
5 V E 0.3732 Aggregation-prone
6 Q E 0.0000 Buried
7 S E -0.2239 Soluble
8 G E -1.1147 Soluble
9 A E -1.1419 Soluble
11 E E -1.7325 Soluble
12 V E -1.2250 Soluble
13 K E -1.9802 Soluble
14 K E -2.5378 Soluble
15 P E -2.1034 Soluble
16 G E -1.4325 Soluble
17 S E -1.0841 Soluble
18 S E -0.3891 Soluble
19 V E 0.0000 Buried
20 M E 0.8585 Aggregation-prone
21 V E 0.0000 Buried
22 S E 0.2954 Aggregation-prone
23 C E 0.0000 Buried
24 Q E -0.4036 Soluble
25 A E 0.0000 Buried
26 S E -0.2693 Soluble
27 G E -0.1520 Soluble
28 G E -0.4664 Soluble
29 P E -1.2201 Soluble
30 L E 0.0000 Buried
35 R E -1.6761 Soluble
36 N E -0.0258 Soluble
37 Y E 0.1974 Aggregation-prone
38 I E 0.0000 Buried
39 I E 0.0000 Buried
40 N E 0.0000 Buried
41 W E 0.0000 Buried
42 L E 0.0000 Buried
43 R E 0.0000 Buried
44 Q E -0.7060 Soluble
45 A E -1.0264 Soluble
46 P E -1.0453 Soluble
47 G E -1.2129 Soluble
48 Q E -1.7784 Soluble
49 G E -1.1310 Soluble
50 P E 0.0000 Buried
51 E E -0.8840 Soluble
52 W E 0.0000 Buried
53 M E 0.0000 Buried
54 G E 0.0000 Buried
55 G E 0.0000 Buried
56 I E 0.0000 Buried
57 I E 0.0000 Buried
58 P E -0.2004 Soluble
59 V E 1.0450 Aggregation-prone
62 L E 0.8229 Aggregation-prone
63 G E 0.1484 Aggregation-prone
64 T E 0.5438 Aggregation-prone
65 V E 0.7552 Aggregation-prone
66 H E 0.2731 Aggregation-prone
67 Y E -0.2956 Soluble
68 A E 0.0000 Buried
69 P E -1.5005 Soluble
70 K E -1.8858 Soluble
71 F E 0.0000 Buried
72 Q E -1.9638 Soluble
74 G E -1.3562 Soluble
75 R E -0.9601 Soluble
76 V E 0.0000 Buried
77 T E -0.0964 Soluble
78 I E 0.0000 Buried
79 T E -0.1970 Soluble
80 A E -1.1469 Soluble
81 D E -1.9548 Soluble
82 E E -2.4407 Soluble
83 S E -1.4463 Soluble
84 T E -1.0676 Soluble
85 D E -1.6540 Soluble
86 T E 0.0000 Buried
87 A E 0.0000 Buried
88 Y E 0.3317 Aggregation-prone
89 I E 0.0000 Buried
90 H E 0.2559 Aggregation-prone
91 L E 0.0000 Buried
92 I E 0.1929 Aggregation-prone
93 S E -0.6667 Soluble
94 L E 0.0000 Buried
95 R E -2.6753 Soluble
96 S E -2.2273 Soluble
97 E E -2.4665 Soluble
98 D E 0.0000 Buried
99 T E -0.9752 Soluble
100 A E 0.0000 Buried
101 M E 0.0516 Aggregation-prone
102 Y E 0.0000 Buried
103 Y E 0.0000 Buried
104 C E 0.0000 Buried
105 A E 0.0000 Buried
106 T E 0.0000 Buried
107 E E 0.0000 Buried
108 T E 0.3482 Aggregation-prone
109 A E 0.0000 Buried
110 L E 2.3506 Aggregation-prone
111 V E 2.6904 Aggregation-prone
111A V E 1.9869 Aggregation-prone
111B S E 0.8833 Aggregation-prone
111C T E 0.2576 Aggregation-prone
112C T E 0.2054 Aggregation-prone
112B Y E 0.7413 Aggregation-prone
112A L E 0.4267 Aggregation-prone
112 P E 0.0000 Buried
113 H E 0.0954 Aggregation-prone
114 Y E 0.2739 Aggregation-prone
115 F E 0.0000 Buried
116 D E -0.8502 Soluble
117 N E -0.8250 Soluble
118 W E -0.8970 Soluble
119 G E 0.0000 Buried
120 Q E -1.1963 Soluble
121 G E -0.7425 Soluble
122 T E 0.0000 Buried
123 L E -0.2608 Soluble
124 V E 0.0000 Buried
125 T E -1.0659 Soluble
126 V E 0.0000 Buried
127 S E -1.2428 Soluble
128 S E -1.0831 Soluble
129 A E -0.7315 Soluble
130 S E -0.8523 Soluble
131 T E -0.9766 Soluble
132 K E -1.4963 Soluble
133 G E -1.4671 Soluble
134 P E -0.7109 Soluble
135 V E -0.2084 Soluble
136 F E -0.2699 Soluble
137 P E -0.8464 Soluble
138 L E 0.0000 Buried
139 A E -0.3027 Soluble
140 T E -0.3077 Soluble
141 A E -0.1174 Soluble
142 A E 0.0000 Buried
143 L E 0.0000 Buried
144 G E 0.0000 Buried
145 C E 0.0000 Buried
146 L E 0.0000 Buried
147 V E 0.0000 Buried
148 K E -0.3055 Soluble
149 D E -0.7423 Soluble
150 Y E 0.0000 Buried
151 F E 0.0000 Buried
152 P E 0.0000 Buried
153 E E -0.6304 Soluble
154 P E -0.7968 Soluble
155 V E 0.0000 Buried
156 T E -0.5646 Soluble
157 V E -0.2212 Soluble
158 S E -0.4142 Soluble
159 W E 0.0000 Buried
160 N E -0.7765 Soluble
161 S E -0.6755 Soluble
162 G E -0.5865 Soluble
163 A E -0.2290 Soluble
164 L E 0.0142 Aggregation-prone
165 T E -0.1549 Soluble
166 S E -0.1776 Soluble
167 G E -0.2186 Soluble
168 V E 0.1591 Aggregation-prone
169 H E -0.2927 Soluble
170 T E -0.1534 Soluble
171 F E 0.0000 Buried
172 P E -0.4352 Soluble
173 A E 0.3072 Aggregation-prone
174 V E 0.5901 Aggregation-prone
175 L E 1.3107 Aggregation-prone
176 Q E 0.0506 Aggregation-prone
177 S E -0.2459 Soluble
178 S E -0.3455 Soluble
179 G E -0.3095 Soluble
180 L E -0.0667 Soluble
181 Y E 0.5042 Aggregation-prone
182 S E 0.2235 Aggregation-prone
183 L E 0.0000 Buried
184 S E 0.0000 Buried
185 S E 0.0000 Buried
186 V E 0.0000 Buried
187 V E 0.0000 Buried
188 T E -0.1639 Soluble
189 V E 0.0000 Buried
190 P E -0.4193 Soluble
191 S E -0.4567 Soluble
192 S E -0.5739 Soluble
193 S E -0.6937 Soluble
194 L E -0.7647 Soluble
195 G E -1.1444 Soluble
196 T E -0.8586 Soluble
197 Q E -1.5134 Soluble
198 T E -1.2027 Soluble
199 Y E 0.0000 Buried
200 I E -1.1430 Soluble
201 C E 0.0000 Buried
202 N E -1.5562 Soluble
203 V E 0.0000 Buried
204 N E -1.9228 Soluble
205 H E 0.0000 Buried
206 K E -3.0365 Soluble
207 P E -2.0454 Soluble
208 S E -2.0692 Soluble
209 N E -2.6327 Soluble
210 T E -2.1100 Soluble
211 K E -2.7296 Soluble
212 V E -1.5282 Soluble
213 D E -2.5700 Soluble
214 K E -1.9724 Soluble
215 K E -2.3397 Soluble
216 V E -1.6329 Soluble
217 E E -2.3840 Soluble
218 P E -1.2532 Soluble
1 D F -2.2831 Soluble
2 I F -2.0486 Soluble
3 Q F -1.9763 Soluble
4 M F 0.0000 Buried
5 T F -1.0769 Soluble
6 Q F -0.8580 Soluble
7 S F -0.7667 Soluble
8 P F -0.5980 Soluble
9 S F -0.7611 Soluble
10 S F -0.7836 Soluble
11 L F -0.4952 Soluble
12 S F -0.7531 Soluble
13 A F -1.0106 Soluble
14 A F -0.9108 Soluble
15 V F -0.1922 Soluble
16 G F -0.8121 Soluble
17 D F -1.7046 Soluble
18 R F -2.3084 Soluble
19 V F 0.0000 Buried
20 T F -0.6468 Soluble
21 I F 0.0000 Buried
22 T F -0.7240 Soluble
23 C F 0.0000 Buried
24 Q F -2.1861 Soluble
25 A F 0.0000 Buried
26 S F -2.0671 Soluble
27 Q F -2.7688 Soluble
28 D F -2.5702 Soluble
29 I F 0.0000 Buried
36 V F -0.2364 Soluble
37 N F -0.0732 Soluble
38 Y F 0.2579 Aggregation-prone
39 L F 0.0000 Buried
40 N F 0.0000 Buried
41 W F 0.0000 Buried
42 Y F 0.0000 Buried
43 Q F -0.9600 Soluble
44 Q F 0.0000 Buried
45 K F -1.7304 Soluble
46 P F -1.4840 Soluble
47 G F -1.7840 Soluble
48 K F -2.4673 Soluble
49 A F -1.6271 Soluble
50 P F 0.0000 Buried
51 K F -1.8012 Soluble
52 L F 0.0000 Buried
53 L F 0.0000 Buried
54 I F 0.0000 Buried
55 Y F 0.5033 Aggregation-prone
56 V F 0.7219 Aggregation-prone
57 A F 0.0000 Buried
65 S F -0.2908 Soluble
66 N F -0.2922 Soluble
67 L F 0.0766 Aggregation-prone
68 E F -0.5102 Soluble
69 T F -0.4187 Soluble
70 G F -0.4703 Soluble
71 V F -0.3403 Soluble
72 P F -0.3270 Soluble
74 S F -0.4056 Soluble
75 R F -0.6629 Soluble
76 F F 0.0000 Buried
77 S F -0.3768 Soluble
78 G F 0.0000 Buried
79 S F -0.6451 Soluble
80 G F -0.8720 Soluble
83 S F -0.8205 Soluble
84 G F -1.1772 Soluble
85 T F -1.8972 Soluble
86 D F -2.0818 Soluble
87 F F 0.0000 Buried
88 S F -0.6726 Soluble
89 L F 0.0000 Buried
90 T F -0.5652 Soluble
91 I F 0.0000 Buried
92 S F -1.2727 Soluble
93 S F -1.1085 Soluble
94 L F 0.0000 Buried
95 Q F -0.8553 Soluble
96 P F -1.5736 Soluble
97 E F -1.9542 Soluble
98 D F 0.0000 Buried
99 V F -1.2771 Soluble
100 A F 0.0000 Buried
101 T F -0.8210 Soluble
102 Y F 0.0000 Buried
103 Y F 0.0000 Buried
104 C F 0.0000 Buried
105 Q F 0.0000 Buried
106 Q F 0.0000 Buried
107 Y F 0.0000 Buried
108 D F -1.4993 Soluble
109 N F -1.6382 Soluble
114 L F -0.5737 Soluble
115 P F 0.0000 Buried
116 L F 0.0000 Buried
117 T F -0.8367 Soluble
118 F F -0.3321 Soluble
119 G F -0.8408 Soluble
120 G F -1.1195 Soluble
121 G F -0.9383 Soluble
122 T F 0.0000 Buried
123 K F -1.4771 Soluble
124 V F 0.0000 Buried
125 E F -1.2318 Soluble
126 I F 0.0000 Buried
127 K F -1.6003 Soluble
128 R F -1.1411 Soluble
129 T F -0.2162 Soluble
130 V F 0.3761 Aggregation-prone
131 A F 0.1290 Aggregation-prone
132 A F -0.1537 Soluble
133 P F 0.0000 Buried
134 S F -0.1806 Soluble
135 V F 0.0000 Buried
136 F F 0.2683 Aggregation-prone
137 I F 0.2686 Aggregation-prone
138 F F 0.0000 Buried
139 P F -0.7199 Soluble
140 P F -0.8305 Soluble
141 D F -2.7237 Soluble
142 E F -2.5557 Soluble
143 Q F 0.0000 Buried
144 L F -1.7357 Soluble
145 K F -2.3345 Soluble
146 S F -1.5309 Soluble
147 T F -0.6290 Soluble
148 A F -0.8517 Soluble
149 S F 0.0000 Buried
150 V F 0.0000 Buried
151 V F 0.0000 Buried
152 C F 0.0000 Buried
153 L F 0.0000 Buried
154 L F 0.0000 Buried
155 N F 0.0000 Buried
156 N F -0.8126 Soluble
157 F F 0.0000 Buried
158 Y F -0.9029 Soluble
159 P F -1.4537 Soluble
160 R F -2.1873 Soluble
161 E F -2.8708 Soluble
162 A F -2.1813 Soluble
163 K F -2.3789 Soluble
164 V F -1.0572 Soluble
165 Q F -0.7094 Soluble
166 W F 0.0000 Buried
167 K F -0.7391 Soluble
168 V F 0.0000 Buried
169 D F -1.9187 Soluble
170 N F -1.4848 Soluble
171 A F -0.4440 Soluble
172 L F 0.6108 Aggregation-prone
173 Q F -0.5101 Soluble
174 S F -0.8901 Soluble
175 G F -1.4312 Soluble
176 N F -1.8244 Soluble
177 S F -1.7605 Soluble
178 Q F -1.9427 Soluble
179 E F -1.6135 Soluble
180 S F -0.6154 Soluble
181 V F -0.4494 Soluble
182 T F 0.0000 Buried
183 E F -2.1345 Soluble
184 Q F 0.0000 Buried
185 D F -1.9622 Soluble
186 S F -2.1666 Soluble
187 K F -2.5017 Soluble
188 D F -1.8135 Soluble
189 S F 0.0000 Buried
190 T F 0.0000 Buried
191 Y F 0.0000 Buried
192 S F 0.0000 Buried
193 L F 0.0000 Buried
194 S F 0.0000 Buried
195 S F 0.0000 Buried
196 T F -0.8338 Soluble
197 L F -0.8175 Soluble
198 T F -0.5919 Soluble
199 A F -1.9065 Soluble
200 D F -2.8917 Soluble
201 Y F -2.3536 Soluble
202 E F -3.7354 Soluble
203 K F -3.5904 Soluble
204 H F -3.2047 Soluble
205 K F -3.3190 Soluble
206 V F -1.9589 Soluble
207 Y F 0.0000 Buried
208 A F -0.8801 Soluble
209 C F 0.0000 Buried
210 E F -0.7441 Soluble
211 V F 0.0000 Buried
212 T F -1.1845 Soluble
213 H F 0.0000 Buried
214 Q F -1.6461 Soluble
215 G F -0.7079 Soluble
216 L F -0.3679 Soluble
217 S F -0.5361 Soluble
218 S F -0.4388 Soluble
219 P F -0.4984 Soluble
220 V F 0.1184 Aggregation-prone
221 T F -0.3691 Soluble
222 K F -0.5444 Soluble
223 S F -0.8177 Soluble
224 F F -1.2151 Soluble
225 N F -2.5776 Soluble
226 R F -2.9645 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 -0.6125 2.4498 CSV PDB
4.5 -0.656 2.4498 CSV PDB
5.0 -0.7075 2.4498 CSV PDB
5.5 -0.7565 2.4498 CSV PDB
6.0 -0.7927 2.4498 CSV PDB
6.5 -0.8077 2.4498 CSV PDB
7.0 -0.8012 2.4498 CSV PDB
7.5 -0.78 2.4498 CSV PDB
8.0 -0.7507 2.4498 CSV PDB
8.5 -0.7154 2.4497 CSV PDB
9.0 -0.6739 2.4497 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH