Nirsevimab / 6s3d

A4DAB181_6s3d_C_D | Source PDB: 6s3d | Chains: C, D | Done
96.14
Yes
10 Å
Yes
Avg A4D Score
-0.6575
Max Score
2.7301
Min Score
-3.8099
Total Score
-276.16
Score CDR
-0.1093
Score non-CDR
-0.7367

Calculation Parameters

Chain Sequence(s) VQLVQSGAEVKKPGSSVMVSCQASGGPLRNYIINWLRQAPGQGPEWMGGIIPVLGTVHYAPKFQGRVTITADESTDTAYIHLISLRSEDTAMYYCATETALVVSTTYLPHYFDNWGQGTLVTVSSASTKGPSVFPLTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIQMTQSPSSLSAAVGDRVTITCQASQDIVNYLNWYQQKPGKAPKLLIYVASNLETGVPSRFSGSGSGTDFSLTISSLQPEDVATYYCQQYDNLPLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSTASVVCLLNNFYPREAKVQWKVDNLQSGNSQESVTEQDSKDSTYSLSSTLTDYEKHKVYACEVTHQGLSSPVTKSFNR 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 -3.8099
Maximum Score 2.7301
Average Score -0.6575
Total Score -276.161

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

Index Residue Chain A4D Score Classification
2 V C 0.8945 Aggregation-prone
3 Q C -0.3477 Soluble
4 L C 0.0000 Buried
5 V C 0.8549 Aggregation-prone
6 Q C 0.0000 Buried
7 S C -0.1107 Soluble
8 G C -0.9902 Soluble
9 A C -1.0626 Soluble
11 E C -1.5483 Soluble
12 V C -1.0222 Soluble
13 K C -1.6733 Soluble
14 K C -2.1547 Soluble
15 P C -1.8855 Soluble
16 G C -1.3258 Soluble
17 S C -0.9396 Soluble
18 S C -0.3363 Soluble
19 V C 0.0000 Buried
20 M C 0.7733 Aggregation-prone
21 V C 0.0000 Buried
22 S C 0.3306 Aggregation-prone
23 C C 0.0000 Buried
24 Q C -0.4207 Soluble
25 A C 0.0000 Buried
26 S C -0.2402 Soluble
27 G C -0.2485 Soluble
28 G C -0.4298 Soluble
29 P C -1.2865 Soluble
30 L C 0.0000 Buried
35 R C -1.7654 Soluble
36 N C -0.0289 Soluble
37 Y C 0.0000 Buried
38 I C 0.0000 Buried
39 I C 0.0000 Buried
40 N C 0.0000 Buried
41 W C 0.0000 Buried
42 L C 0.0000 Buried
43 R C 0.0000 Buried
44 Q C -0.6135 Soluble
45 A C -0.9865 Soluble
46 P C -1.0504 Soluble
47 G C -1.2124 Soluble
48 Q C -1.7285 Soluble
49 G C -1.0394 Soluble
50 P C 0.0000 Buried
51 E C -0.5232 Soluble
52 W C 0.0000 Buried
53 M C 0.0000 Buried
54 G C 0.0000 Buried
55 G C 0.0000 Buried
56 I C 0.0000 Buried
57 I C 0.0000 Buried
58 P C -0.6137 Soluble
59 V C 0.2784 Aggregation-prone
62 L C 0.3749 Aggregation-prone
63 G C -0.0063 Soluble
64 T C 0.3135 Aggregation-prone
65 V C 0.6235 Aggregation-prone
66 H C 0.2163 Aggregation-prone
67 Y C -0.3800 Soluble
68 A C 0.0000 Buried
69 P C -1.6839 Soluble
70 K C -2.2287 Soluble
71 F C 0.0000 Buried
72 Q C -2.0465 Soluble
74 G C -1.3941 Soluble
75 R C -0.9909 Soluble
76 V C 0.0000 Buried
77 T C -0.1191 Soluble
78 I C 0.0000 Buried
79 T C -0.2755 Soluble
80 A C -1.2652 Soluble
81 D C -2.2801 Soluble
82 E C -2.8574 Soluble
83 S C -1.6966 Soluble
84 T C -1.2819 Soluble
85 D C -1.9039 Soluble
86 T C 0.0000 Buried
87 A C 0.0000 Buried
88 Y C 0.3087 Aggregation-prone
89 I C 0.0000 Buried
90 H C 0.1968 Aggregation-prone
91 L C 0.0000 Buried
92 I C 0.1919 Aggregation-prone
93 S C -0.6073 Soluble
94 L C 0.0000 Buried
95 R C -2.4940 Soluble
96 S C -2.1030 Soluble
97 E C -2.4235 Soluble
98 D C 0.0000 Buried
99 T C -0.9287 Soluble
100 A C 0.0000 Buried
101 M C 0.0409 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 T C 0.0000 Buried
107 E C 0.0000 Buried
108 T C 0.3586 Aggregation-prone
109 A C 0.0000 Buried
110 L C 2.3212 Aggregation-prone
111 V C 2.7301 Aggregation-prone
111A V C 1.9674 Aggregation-prone
111B S C 0.8972 Aggregation-prone
111C T C 0.1914 Aggregation-prone
112C T C 0.2276 Aggregation-prone
112B Y C 0.7745 Aggregation-prone
112A L C 0.4615 Aggregation-prone
112 P C 0.0000 Buried
113 H C 0.0093 Aggregation-prone
114 Y C 0.2315 Aggregation-prone
115 F C 0.0000 Buried
116 D C -1.0332 Soluble
117 N C -0.7259 Soluble
118 W C 0.0000 Buried
119 G C 0.0000 Buried
120 Q C -1.2092 Soluble
121 G C 0.0000 Buried
122 T C 0.0000 Buried
123 L C -0.1818 Soluble
124 V C 0.0000 Buried
125 T C 0.0000 Buried
126 V C 0.0000 Buried
127 S C -1.0797 Soluble
128 S C -0.9426 Soluble
129 A C -0.6900 Soluble
130 S C -0.8750 Soluble
131 T C -1.0512 Soluble
132 K C -1.6588 Soluble
133 G C -1.5621 Soluble
134 P C -0.6519 Soluble
135 S C -0.2568 Soluble
136 V C 0.0000 Buried
137 F C -0.4481 Soluble
138 P C -0.9266 Soluble
139 L C -0.1456 Soluble
140 T C -0.2960 Soluble
141 A C -0.0954 Soluble
142 A C 0.1003 Aggregation-prone
143 L C 0.0000 Buried
144 G C 0.0000 Buried
145 C C 0.0000 Buried
146 L C 0.0000 Buried
147 V C 0.0000 Buried
148 K C 0.0000 Buried
149 D C -0.5661 Soluble
150 Y C 0.0000 Buried
151 F C 0.0000 Buried
152 P C 0.0000 Buried
153 E C -0.9414 Soluble
154 P C -0.8704 Soluble
155 V C -0.6208 Soluble
156 T C -0.4764 Soluble
157 V C -0.3374 Soluble
158 S C -0.3729 Soluble
159 W C 0.0000 Buried
160 N C -0.8107 Soluble
161 S C -0.6723 Soluble
162 G C -0.5686 Soluble
163 A C -0.2422 Soluble
164 L C 0.0160 Aggregation-prone
165 T C -0.1632 Soluble
166 S C -0.1816 Soluble
167 G C -0.2391 Soluble
168 V C 0.1276 Aggregation-prone
169 H C -0.3200 Soluble
170 T C -0.1583 Soluble
171 F C 0.0000 Buried
172 P C -0.5356 Soluble
173 A C 0.2353 Aggregation-prone
174 V C 0.7154 Aggregation-prone
175 L C 1.5069 Aggregation-prone
176 Q C 0.4151 Aggregation-prone
177 S C -0.1689 Soluble
178 S C -0.2105 Soluble
179 G C -0.2232 Soluble
180 L C 0.0378 Aggregation-prone
181 Y C 0.5045 Aggregation-prone
182 S C 0.0000 Buried
183 L C 0.0000 Buried
184 S C 0.0000 Buried
185 S C 0.0000 Buried
186 V C 0.0000 Buried
187 V C 0.0000 Buried
188 T C -0.1805 Soluble
189 V C 0.0000 Buried
190 P C -0.3984 Soluble
191 S C -0.4227 Soluble
192 S C -0.4837 Soluble
193 S C -0.4985 Soluble
194 L C -0.5645 Soluble
195 G C -0.9299 Soluble
196 T C -0.8702 Soluble
197 Q C -1.0793 Soluble
198 T C -1.0566 Soluble
199 Y C 0.0000 Buried
200 I C -1.4002 Soluble
201 C C 0.0000 Buried
202 N C -1.5726 Soluble
203 V C 0.0000 Buried
204 N C -1.6977 Soluble
205 H C 0.0000 Buried
206 K C -2.9577 Soluble
207 P C -1.9943 Soluble
208 S C -2.0404 Soluble
209 N C -2.6008 Soluble
210 T C -2.0740 Soluble
211 K C -2.6210 Soluble
212 V C -1.5932 Soluble
213 D C -2.7524 Soluble
214 K C -2.2058 Soluble
215 K C -2.6348 Soluble
216 V C -1.5530 Soluble
217 E C -2.2516 Soluble
218 P C -1.0486 Soluble
1 D D -2.3135 Soluble
2 I D -2.0950 Soluble
3 Q D -1.9993 Soluble
4 M D 0.0000 Buried
5 T D -1.1141 Soluble
6 Q D -0.8873 Soluble
7 S D -0.7863 Soluble
8 P D -0.6465 Soluble
9 S D -0.8534 Soluble
10 S D -1.0411 Soluble
11 L D -0.7553 Soluble
12 S D -1.1651 Soluble
13 A D -1.3348 Soluble
14 A D -1.3356 Soluble
15 V D -0.5538 Soluble
16 G D -1.0848 Soluble
17 D D -2.0630 Soluble
18 R D -2.4749 Soluble
19 V D 0.0000 Buried
20 T D -0.6453 Soluble
21 I D 0.0000 Buried
22 T D -0.8151 Soluble
23 C D 0.0000 Buried
24 Q D -2.3630 Soluble
25 A D 0.0000 Buried
26 S D -2.1150 Soluble
27 Q D -2.7970 Soluble
28 D D -2.6340 Soluble
29 I D 0.0000 Buried
36 V D -0.2679 Soluble
37 N D -0.2672 Soluble
38 Y D 0.1674 Aggregation-prone
39 L D 0.0000 Buried
40 N D 0.0000 Buried
41 W D 0.0000 Buried
42 Y D 0.0000 Buried
43 Q D -1.1354 Soluble
44 Q D 0.0000 Buried
45 K D -1.9799 Soluble
46 P D -1.5297 Soluble
47 G D -1.8107 Soluble
48 K D -2.5791 Soluble
49 A D -1.7292 Soluble
50 P D 0.0000 Buried
51 K D -2.0795 Soluble
52 L D 0.0000 Buried
53 L D 0.0000 Buried
54 I D 0.0000 Buried
55 Y D 0.3415 Aggregation-prone
56 V D 0.5707 Aggregation-prone
57 A D 0.0000 Buried
65 S D -0.3972 Soluble
66 N D -0.3549 Soluble
67 L D 0.1044 Aggregation-prone
68 E D -0.5453 Soluble
69 T D -0.4288 Soluble
70 G D -0.4655 Soluble
71 V D -0.3737 Soluble
72 P D -0.3592 Soluble
74 S D -0.4587 Soluble
75 R D -0.8337 Soluble
76 F D 0.0000 Buried
77 S D -0.4020 Soluble
78 G D 0.0000 Buried
79 S D -0.7867 Soluble
80 G D -1.0540 Soluble
83 S D -0.9585 Soluble
84 G D -1.3261 Soluble
85 T D -2.1375 Soluble
86 D D -2.5537 Soluble
87 F D 0.0000 Buried
88 S D -0.7927 Soluble
89 L D 0.0000 Buried
90 T D -0.6092 Soluble
91 I D 0.0000 Buried
92 S D -1.3826 Soluble
93 S D -1.2819 Soluble
94 L D 0.0000 Buried
95 Q D -1.1761 Soluble
96 P D -1.8579 Soluble
97 E D -2.3204 Soluble
98 D D 0.0000 Buried
99 V D 0.0000 Buried
100 A D 0.0000 Buried
101 T D -1.1404 Soluble
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 0.0000 Buried
108 D D -1.6629 Soluble
109 N D -1.7422 Soluble
114 L D -0.7055 Soluble
115 P D -0.8704 Soluble
116 L D 0.0000 Buried
117 T D -0.8087 Soluble
118 F D -0.2366 Soluble
119 G D -0.8045 Soluble
120 G D -1.1528 Soluble
121 G D -1.0288 Soluble
122 T D 0.0000 Buried
123 K D -2.0702 Soluble
124 V D 0.0000 Buried
125 E D -1.9429 Soluble
126 I D 0.0000 Buried
127 K D -1.9132 Soluble
128 R D -1.2898 Soluble
129 T D -0.2226 Soluble
130 V D 0.3015 Aggregation-prone
131 A D 0.0828 Aggregation-prone
132 A D -0.1931 Soluble
133 P D 0.0000 Buried
134 S D -0.2271 Soluble
135 V D 0.0000 Buried
136 F D 0.2082 Aggregation-prone
137 I D 0.2980 Aggregation-prone
138 F D 0.3106 Aggregation-prone
139 P D -0.5953 Soluble
140 P D -0.5584 Soluble
141 S D -1.2707 Soluble
142 D D -2.6011 Soluble
143 E D -2.8086 Soluble
144 Q D 0.0000 Buried
145 L D -0.8697 Soluble
146 K D -2.1597 Soluble
147 S D -1.2537 Soluble
148 T D -0.3281 Soluble
149 A D -0.6071 Soluble
150 S D 0.0000 Buried
151 V D 0.0000 Buried
152 V D 0.0000 Buried
153 C D 0.0000 Buried
154 L D 0.0000 Buried
155 L D 0.0000 Buried
156 N D -0.4248 Soluble
157 N D -0.9765 Soluble
158 F D 0.0000 Buried
159 Y D 0.0000 Buried
160 P D -1.7860 Soluble
161 R D -2.7426 Soluble
162 E D -3.1492 Soluble
163 A D -2.3229 Soluble
164 K D -2.4246 Soluble
165 V D -1.0554 Soluble
166 Q D -0.6549 Soluble
167 W D 0.0000 Buried
168 K D -0.7816 Soluble
169 V D -1.4233 Soluble
170 D D -2.4328 Soluble
171 N D -1.7677 Soluble
172 L D 0.4918 Aggregation-prone
173 Q D -0.5478 Soluble
174 S D -0.8251 Soluble
175 G D -1.3684 Soluble
176 N D -1.8132 Soluble
177 S D -1.4341 Soluble
178 Q D -1.0610 Soluble
179 E D -1.3528 Soluble
180 S D -0.5562 Soluble
181 V D -0.6344 Soluble
182 T D -1.0039 Soluble
183 E D -2.0241 Soluble
184 Q D 0.0000 Buried
185 D D -2.0271 Soluble
186 S D -2.2476 Soluble
187 K D -2.6012 Soluble
188 D D -1.9009 Soluble
189 S D 0.0000 Buried
190 T D 0.0000 Buried
191 Y D 0.0000 Buried
192 S D 0.0000 Buried
193 L D 0.0000 Buried
194 S D 0.0000 Buried
195 S D 0.0000 Buried
196 T D -0.5880 Soluble
197 L D 0.0000 Buried
198 T D -0.7085 Soluble
199 D D -2.8676 Soluble
200 Y D -2.5024 Soluble
201 E D -3.8099 Soluble
202 K D -3.6284 Soluble
203 H D -3.4685 Soluble
204 K D -3.4275 Soluble
205 V D -1.9235 Soluble
206 Y D 0.0000 Buried
207 A D 0.0000 Buried
208 C D 0.0000 Buried
209 E D -0.8526 Soluble
210 V D 0.0000 Buried
211 T D -1.1957 Soluble
212 H D 0.0000 Buried
213 Q D -1.6537 Soluble
214 G D -0.7131 Soluble
215 L D -0.3526 Soluble
216 S D -0.5272 Soluble
217 S D -0.4171 Soluble
218 P D -0.5003 Soluble
219 V D 0.1152 Aggregation-prone
220 T D -0.4388 Soluble
221 K D -0.6877 Soluble
222 S D -0.7687 Soluble
223 F D -1.1425 Soluble
224 N D -2.2121 Soluble
225 R D -2.9388 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 -0.6317 2.5452 CSV PDB
4.5 -0.6793 2.5452 CSV PDB
5.0 -0.736 2.5452 CSV PDB
5.5 -0.7911 2.5452 CSV PDB
6.0 -0.833 2.5452 CSV PDB
6.5 -0.8524 2.5452 CSV PDB
7.0 -0.8483 2.5452 CSV PDB
7.5 -0.8285 2.5452 CSV PDB
8.0 -0.8 2.5452 CSV PDB
8.5 -0.765 2.5451 CSV PDB
9.0 -0.7229 2.5451 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH