Nirsevimab / 4jhw

A4DAB181_4jhw_H_L | Source PDB: 4jhw | Chains: H, L | Done
96.14
Yes
10 Å
Yes
Avg A4D Score
-0.6257
Max Score
2.6609
Min Score
-3.8143
Total Score
-273.41
Score CDR
-0.0848
Score non-CDR
-0.7003

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGSSVMVSCQASGGPLRNYIINWLRQAPGQGPEWMGGIIPVLGTVHYAPKFQGRVTITADESTDTAYIHLISLRSEDTAMYYCATETALVVSTTYLPHYFDNWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIQMTQSPSSLSAAVGDRVTITCQASQDIVNYLNWYQQKPGKAPKLLIYVASNLETGVPSRFSGSGSGTDFSLTISSLQPEDVATYYCQQYDNLPLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR input.pdb
Selected Chain(s) H (Heavy), L (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 -3.8143
Maximum Score 2.6609
Average Score -0.6257
Total Score -273.4121

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

Index Residue Chain A4D Score Classification
1 Q H -1.6740 Soluble
2 V H 0.0000 Buried
3 Q H -1.6121 Soluble
4 L H 0.0000 Buried
5 V H 0.3200 Aggregation-prone
6 Q H 0.0000 Buried
7 S H -0.2983 Soluble
8 G H -1.1420 Soluble
9 A H -1.2388 Soluble
11 E H -1.8410 Soluble
12 V H -1.2206 Soluble
13 K H -1.9216 Soluble
14 K H -2.4227 Soluble
15 P H -1.6605 Soluble
16 G H -1.1994 Soluble
17 S H -0.9026 Soluble
18 S H -0.1839 Soluble
19 V H 0.0000 Buried
20 M H 0.7605 Aggregation-prone
21 V H 0.0000 Buried
22 S H 0.2028 Aggregation-prone
23 C H 0.0000 Buried
24 Q H -0.4049 Soluble
25 A H 0.0000 Buried
26 S H -1.0089 Soluble
27 G H -1.1924 Soluble
28 G H -1.1216 Soluble
29 P H -1.2300 Soluble
30 L H 0.0000 Buried
35 R H -1.4825 Soluble
36 N H -0.2359 Soluble
37 Y H 0.0877 Aggregation-prone
38 I H 0.0000 Buried
39 I H 0.0000 Buried
40 N H 0.0000 Buried
41 W H 0.0000 Buried
42 L H 0.0000 Buried
43 R H -0.4213 Soluble
44 Q H -0.6806 Soluble
45 A H -1.0106 Soluble
46 P H -0.8668 Soluble
47 G H -1.2126 Soluble
48 Q H -1.7418 Soluble
49 G H -1.0696 Soluble
50 P H 0.0000 Buried
51 E H -0.5842 Soluble
52 W H 0.0000 Buried
53 M H 0.0000 Buried
54 G H 0.0000 Buried
55 G H 0.0000 Buried
56 I H 0.0000 Buried
57 I H 0.0000 Buried
58 P H 0.0000 Buried
59 V H 0.2243 Aggregation-prone
62 L H 0.4557 Aggregation-prone
63 G H -0.1135 Soluble
64 T H 0.3867 Aggregation-prone
65 V H 0.7288 Aggregation-prone
66 H H 0.2922 Aggregation-prone
67 Y H -0.3381 Soluble
68 A H 0.0000 Buried
69 P H -1.6494 Soluble
70 K H -2.2010 Soluble
71 F H 0.0000 Buried
72 Q H -1.9931 Soluble
74 G H -1.2634 Soluble
75 R H -0.7505 Soluble
76 V H 0.0000 Buried
77 T H -0.1278 Soluble
78 I H 0.0000 Buried
79 T H -0.2053 Soluble
80 A H -0.8735 Soluble
81 D H -1.4852 Soluble
82 E H -1.9801 Soluble
83 S H -1.1268 Soluble
84 T H -1.0113 Soluble
85 D H -1.5661 Soluble
86 T H 0.0000 Buried
87 A H 0.0000 Buried
88 Y H 0.1479 Aggregation-prone
89 I H 0.0000 Buried
90 H H 0.1397 Aggregation-prone
91 L H 0.0000 Buried
92 I H 0.6877 Aggregation-prone
93 S H -0.2726 Soluble
94 L H 0.0000 Buried
95 R H -2.0324 Soluble
96 S H -1.8259 Soluble
97 E H -2.2158 Soluble
98 D H 0.0000 Buried
99 T H -0.8304 Soluble
100 A H 0.0000 Buried
101 M H -0.0392 Soluble
102 Y H 0.0000 Buried
103 Y H 0.0000 Buried
104 C H 0.0000 Buried
105 A H 0.0000 Buried
106 T H 0.0000 Buried
107 E H 0.0000 Buried
108 T H 0.3714 Aggregation-prone
109 A H 0.0000 Buried
110 L H 2.2350 Aggregation-prone
111 V H 2.6609 Aggregation-prone
111A V H 1.8110 Aggregation-prone
111B S H 0.7731 Aggregation-prone
111C T H 0.1928 Aggregation-prone
112C T H 0.2125 Aggregation-prone
112B Y H 0.7126 Aggregation-prone
112A L H 0.6126 Aggregation-prone
112 P H 0.0000 Buried
113 H H 0.0987 Aggregation-prone
114 Y H 0.1911 Aggregation-prone
115 F H 0.0000 Buried
116 D H -1.2582 Soluble
117 N H -1.3500 Soluble
118 W H -0.9216 Soluble
119 G H 0.0000 Buried
120 Q H -1.4313 Soluble
121 G H -0.7419 Soluble
122 T H 0.0000 Buried
123 L H -0.4115 Soluble
124 V H 0.0000 Buried
125 T H -1.0692 Soluble
126 V H 0.0000 Buried
127 S H -1.0900 Soluble
128 S H -0.8929 Soluble
129 A H -0.6117 Soluble
130 S H -0.7334 Soluble
131 T H -1.0278 Soluble
132 K H -1.3133 Soluble
133 G H -1.4496 Soluble
134 P H -0.6881 Soluble
135 S H -0.3794 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.1532 Soluble
139 L H 0.0000 Buried
140 A H -0.8699 Soluble
141 P H 0.0000 Buried
142 S H -0.7026 Soluble
143 S H -0.7225 Soluble
144 K H -1.0165 Soluble
145 S H 0.0000 Buried
146 T H -0.6595 Soluble
147 S H -0.7047 Soluble
148 G H -0.9009 Soluble
149 G H -0.9310 Soluble
150 T H -0.5882 Soluble
151 A H 0.0000 Buried
152 A H 0.0000 Buried
153 L H 0.0000 Buried
154 G H 0.0000 Buried
155 C H 0.0000 Buried
156 L H 0.0000 Buried
157 V H 0.0000 Buried
158 K H -0.3496 Soluble
159 D H -0.5029 Soluble
160 Y H 0.0000 Buried
161 F H 0.0000 Buried
162 P H 0.0000 Buried
163 E H -0.9481 Soluble
164 P H -0.9654 Soluble
165 V H 0.0000 Buried
166 T H -0.6298 Soluble
167 V H -0.3289 Soluble
168 S H -0.3805 Soluble
169 W H 0.0000 Buried
170 N H -0.7213 Soluble
171 S H -0.6252 Soluble
172 G H -0.4662 Soluble
173 A H -0.2034 Soluble
174 L H 0.0472 Aggregation-prone
175 T H -0.1265 Soluble
176 S H -0.1513 Soluble
177 G H -0.1517 Soluble
178 V H 0.2594 Aggregation-prone
179 H H 0.0000 Buried
180 T H -0.0276 Soluble
181 F H 0.0000 Buried
182 P H -0.1728 Soluble
183 A H 0.2885 Aggregation-prone
184 V H 0.6580 Aggregation-prone
185 L H 1.3791 Aggregation-prone
186 Q H 0.3069 Aggregation-prone
187 S H -0.0290 Soluble
188 S H -0.2091 Soluble
189 G H 0.0356 Aggregation-prone
190 L H 0.1253 Aggregation-prone
191 Y H 0.4211 Aggregation-prone
192 S H 0.0000 Buried
193 L H 0.0000 Buried
194 S H 0.0000 Buried
195 S H 0.0000 Buried
196 V H 0.0000 Buried
197 V H 0.0000 Buried
198 T H -0.0973 Soluble
199 V H 0.0000 Buried
200 P H -0.4999 Soluble
201 S H -0.5315 Soluble
202 S H -0.5512 Soluble
203 S H -0.5707 Soluble
204 L H -0.7385 Soluble
205 G H -0.9981 Soluble
206 T H -0.7416 Soluble
207 Q H -1.2957 Soluble
208 T H -1.1542 Soluble
209 Y H 0.0000 Buried
210 I H -1.2610 Soluble
211 C H 0.0000 Buried
212 N H -1.3986 Soluble
213 V H 0.0000 Buried
214 N H -1.7533 Soluble
215 H H 0.0000 Buried
216 K H -3.0540 Soluble
217 P H -2.0609 Soluble
218 S H -2.0133 Soluble
219 N H -2.5708 Soluble
220 T H -2.0761 Soluble
221 K H -2.6083 Soluble
222 V H -1.4633 Soluble
223 D H -2.2860 Soluble
224 K H -1.9652 Soluble
225 K H -2.5203 Soluble
226 V H 0.0000 Buried
227 E H -2.4108 Soluble
228 P H -1.1673 Soluble
1 D L -2.3348 Soluble
2 I L 0.0000 Buried
3 Q L -1.9882 Soluble
4 M L 0.0000 Buried
5 T L -1.0811 Soluble
6 Q L -0.7531 Soluble
7 S L -0.5659 Soluble
8 P L -0.5971 Soluble
9 S L -0.8121 Soluble
10 S L -0.8157 Soluble
11 L L -0.4747 Soluble
12 S L -0.6362 Soluble
13 A L -0.8013 Soluble
14 A L -0.8993 Soluble
15 V L -0.2904 Soluble
16 G L -1.0650 Soluble
17 D L -1.9487 Soluble
18 R L -2.4568 Soluble
19 V L 0.0000 Buried
20 T L -0.6418 Soluble
21 I L 0.0000 Buried
22 T L -0.7163 Soluble
23 C L 0.0000 Buried
24 Q L -2.0682 Soluble
25 A L -1.8612 Soluble
26 S L -1.9360 Soluble
27 Q L -2.2765 Soluble
28 D L -2.2719 Soluble
29 I L 0.0000 Buried
36 V L 0.2145 Aggregation-prone
37 N L -0.0366 Soluble
38 Y L 0.4119 Aggregation-prone
39 L L 0.0000 Buried
40 N L 0.0000 Buried
41 W L 0.0000 Buried
42 Y L 0.0000 Buried
43 Q L 0.0000 Buried
44 Q L -1.3125 Soluble
45 K L -1.8222 Soluble
46 P L -1.4371 Soluble
47 G L -1.6133 Soluble
48 K L -2.5057 Soluble
49 A L -1.6252 Soluble
50 P L 0.0000 Buried
51 K L -1.7500 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.1279 Aggregation-prone
56 V L 0.6720 Aggregation-prone
57 A L 0.0000 Buried
65 S L -0.6340 Soluble
66 N L -0.9586 Soluble
67 L L -0.2623 Soluble
68 E L -0.7721 Soluble
69 T L -0.4608 Soluble
70 G L -0.4814 Soluble
71 V L -0.2021 Soluble
72 P L -0.3136 Soluble
74 S L -0.3848 Soluble
75 R L -0.7698 Soluble
76 F L 0.0000 Buried
77 S L -0.4702 Soluble
78 G L 0.0000 Buried
79 S L -0.8564 Soluble
80 G L -0.9712 Soluble
83 S L -0.8945 Soluble
84 G L -1.1866 Soluble
85 T L -1.8641 Soluble
86 D L -2.3815 Soluble
87 F L 0.0000 Buried
88 S L -0.7617 Soluble
89 L L 0.0000 Buried
90 T L -0.6151 Soluble
91 I L 0.0000 Buried
92 S L -1.4803 Soluble
93 S L -1.3142 Soluble
94 L L 0.0000 Buried
95 Q L -0.9928 Soluble
96 P L -1.6097 Soluble
97 E L -2.0539 Soluble
98 D L 0.0000 Buried
99 V L -1.0941 Soluble
100 A L 0.0000 Buried
101 T L -0.8622 Soluble
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 Q L 0.0000 Buried
106 Q L 0.0000 Buried
107 Y L 0.0126 Aggregation-prone
108 D L -0.9027 Soluble
109 N L -1.4042 Soluble
114 L L -0.5452 Soluble
115 P L -0.7978 Soluble
116 L L 0.0000 Buried
117 T L -0.7080 Soluble
118 F L -0.2125 Soluble
119 G L 0.0000 Buried
120 G L -1.0720 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.5722 Soluble
124 V L 0.0000 Buried
125 E L 0.0000 Buried
126 I L 0.0000 Buried
127 K L -1.1847 Soluble
128 R L -0.9061 Soluble
129 T L -0.0647 Soluble
130 V L 0.6005 Aggregation-prone
131 A L 0.1969 Aggregation-prone
132 A L -0.0810 Soluble
133 P L 0.0000 Buried
134 S L -0.1139 Soluble
135 V L 0.0000 Buried
136 F L 0.0000 Buried
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L -0.8519 Soluble
140 P L 0.0000 Buried
141 S L -1.7027 Soluble
142 D L -3.0590 Soluble
143 E L -3.2379 Soluble
144 Q L 0.0000 Buried
145 L L -2.3134 Soluble
146 K L -2.8757 Soluble
147 S L -1.8105 Soluble
148 G L -1.2551 Soluble
149 T L -1.0573 Soluble
150 A L 0.0000 Buried
151 S L 0.0000 Buried
152 V L 0.0000 Buried
153 V L 0.0000 Buried
154 C L 0.0000 Buried
155 L L 0.0000 Buried
156 L L 0.0000 Buried
157 N L 0.0000 Buried
158 N L -0.7052 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.3880 Soluble
162 R L -2.0161 Soluble
163 E L -2.8766 Soluble
164 A L -2.1711 Soluble
165 K L -2.4727 Soluble
166 V L -1.4823 Soluble
167 Q L -1.0345 Soluble
168 W L 0.0000 Buried
169 K L -0.4456 Soluble
170 V L 0.0000 Buried
171 D L -1.5807 Soluble
172 N L -1.2171 Soluble
173 A L -0.1725 Soluble
174 L L 0.6949 Aggregation-prone
175 Q L -0.1252 Soluble
176 S L -0.4439 Soluble
177 G L -1.0335 Soluble
178 N L -0.8668 Soluble
179 S L -1.3363 Soluble
180 Q L -1.6742 Soluble
181 E L -2.1587 Soluble
182 S L 0.0000 Buried
183 V L -0.1753 Soluble
184 T L 0.0000 Buried
185 E L -1.7134 Soluble
186 Q L 0.0000 Buried
187 D L -1.9467 Soluble
188 S L -2.2403 Soluble
189 K L -2.7491 Soluble
190 D L -2.3300 Soluble
191 S L 0.0000 Buried
192 T L 0.0000 Buried
193 Y L 0.0000 Buried
194 S L 0.0000 Buried
195 L L 0.0000 Buried
196 S L 0.0000 Buried
197 S L 0.0000 Buried
198 T L -0.8035 Soluble
199 L L 0.0000 Buried
200 T L -0.3045 Soluble
201 L L -0.6496 Soluble
202 S L -1.2686 Soluble
203 K L -2.1225 Soluble
204 A L -2.0017 Soluble
205 D L -2.9004 Soluble
206 Y L 0.0000 Buried
207 E L -3.7582 Soluble
208 K L -3.8143 Soluble
209 H L -3.2368 Soluble
210 K L -3.3325 Soluble
211 V L -1.8572 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.9710 Soluble
216 V L 0.0000 Buried
217 T L -1.3222 Soluble
218 H L 0.0000 Buried
219 Q L -1.4093 Soluble
220 G L -0.4927 Soluble
221 L L -0.3045 Soluble
222 S L -0.5086 Soluble
223 S L -0.4492 Soluble
224 P L -0.6324 Soluble
225 V L -0.0281 Soluble
226 T L -0.4756 Soluble
227 K L -0.6876 Soluble
228 S L -1.0055 Soluble
229 F L 0.0000 Buried
230 N L -2.5479 Soluble
231 R L -3.2798 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 -0.6184 2.408 CSV PDB
4.5 -0.6601 2.408 CSV PDB
5.0 -0.7085 2.408 CSV PDB
5.5 -0.7538 2.408 CSV PDB
6.0 -0.786 2.408 CSV PDB
6.5 -0.7973 2.408 CSV PDB
7.0 -0.7882 2.408 CSV PDB
7.5 -0.7657 2.408 CSV PDB
8.0 -0.7357 2.408 CSV PDB
8.5 -0.7001 2.408 CSV PDB
9.0 -0.6581 2.4079 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH