Nirsevimab / 4jha

A4DAB181_4jha_H_L | Source PDB: 4jha | Chains: H, L | Done
96.14
Yes
10 Å
Yes
Avg A4D Score
-0.618
Max Score
3.3374
Min Score
-3.8578
Total Score
-270.05
Score CDR
0.0469
Score non-CDR
-0.7097

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 -3.8578
Maximum Score 3.3374
Average Score -0.618
Total Score -270.0518

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

Index Residue Chain A4D Score Classification
1 Q H -1.5839 Soluble
2 V H -1.2445 Soluble
3 Q H -1.5511 Soluble
4 L H 0.0000 Buried
5 V H 0.2082 Aggregation-prone
6 Q H 0.0000 Buried
7 S H -0.3247 Soluble
8 G H -1.1799 Soluble
9 A H -1.2682 Soluble
11 E H -1.7716 Soluble
12 V H -1.1014 Soluble
13 K H -1.6948 Soluble
14 K H -2.2832 Soluble
15 P H -1.6000 Soluble
16 G H -1.1773 Soluble
17 S H -0.8789 Soluble
18 S H -0.1741 Soluble
19 V H 0.0000 Buried
20 M H 0.6998 Aggregation-prone
21 V H 0.0000 Buried
22 S H 0.2001 Aggregation-prone
23 C H 0.0000 Buried
24 Q H -0.3795 Soluble
25 A H 0.0000 Buried
26 S H -0.9827 Soluble
27 G H -1.1845 Soluble
28 G H -1.0516 Soluble
29 P H -1.1034 Soluble
30 L H 0.0000 Buried
35 R H -1.1128 Soluble
36 N H -0.0704 Soluble
37 Y H 0.2138 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 0.0000 Buried
44 Q H -0.6273 Soluble
45 A H -1.0647 Soluble
46 P H -1.0850 Soluble
47 G H -1.2182 Soluble
48 Q H -1.7426 Soluble
49 G H -1.0589 Soluble
50 P H 0.0000 Buried
51 E H -0.5790 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 1.0958 Aggregation-prone
62 L H 0.7881 Aggregation-prone
63 G H 0.0691 Aggregation-prone
64 T H 0.4204 Aggregation-prone
65 V H 0.6567 Aggregation-prone
66 H H 0.1873 Aggregation-prone
67 Y H -0.3688 Soluble
68 A H 0.0000 Buried
69 P H -1.6337 Soluble
70 K H -2.1788 Soluble
71 F H 0.0000 Buried
72 Q H -1.9748 Soluble
74 G H -1.2420 Soluble
75 R H -0.7180 Soluble
76 V H 0.0000 Buried
77 T H -0.1232 Soluble
78 I H 0.0000 Buried
79 T H -0.2070 Soluble
80 A H -0.9054 Soluble
81 D H -1.6568 Soluble
82 E H -2.0207 Soluble
83 S H -1.1665 Soluble
84 T H -1.0359 Soluble
85 D H -1.5063 Soluble
86 T H 0.0000 Buried
87 A H 0.0000 Buried
88 Y H 0.1894 Aggregation-prone
89 I H 0.0000 Buried
90 H H 0.1659 Aggregation-prone
91 L H 0.0000 Buried
92 I H 0.7078 Aggregation-prone
93 S H -0.3117 Soluble
94 L H 0.0000 Buried
95 R H -2.0771 Soluble
96 S H -1.6637 Soluble
97 E H -2.2598 Soluble
98 D H 0.0000 Buried
99 T H -0.7653 Soluble
100 A H 0.0000 Buried
101 M H 0.0298 Aggregation-prone
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 0.3019 Aggregation-prone
109 A H 0.0000 Buried
110 L H 2.7980 Aggregation-prone
111 V H 3.3374 Aggregation-prone
111A V H 3.1717 Aggregation-prone
111B S H 1.4574 Aggregation-prone
111C T H 0.7248 Aggregation-prone
112C T H 0.3261 Aggregation-prone
112B Y H 0.8526 Aggregation-prone
112A L H 0.3743 Aggregation-prone
112 P H 0.0000 Buried
113 H H -0.0526 Soluble
114 Y H 0.1193 Aggregation-prone
115 F H 0.0000 Buried
116 D H -1.3909 Soluble
117 N H -1.3386 Soluble
118 W H -0.9614 Soluble
119 G H 0.0000 Buried
120 Q H -1.5101 Soluble
121 G H -0.7746 Soluble
122 T H 0.0000 Buried
123 L H -0.3266 Soluble
124 V H 0.0000 Buried
125 T H -0.9357 Soluble
126 V H -1.3422 Soluble
127 S H -1.0024 Soluble
128 S H -0.8759 Soluble
129 A H -0.5955 Soluble
130 S H -0.7318 Soluble
131 T H -1.0495 Soluble
132 K H -1.3311 Soluble
133 G H -1.4724 Soluble
134 P H -0.6999 Soluble
135 S H -0.6111 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.1564 Soluble
139 L H 0.0000 Buried
140 A H -0.8696 Soluble
141 P H 0.0000 Buried
142 S H -0.8027 Soluble
143 S H -0.8537 Soluble
144 K H -1.2861 Soluble
145 S H 0.0000 Buried
146 T H -0.7936 Soluble
147 S H -0.7527 Soluble
148 G H -0.9177 Soluble
149 G H -0.9389 Soluble
150 T H -0.6284 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 -0.3184 Soluble
159 D H -0.5615 Soluble
160 Y H 0.0000 Buried
161 F H 0.0000 Buried
162 P H 0.0000 Buried
163 E H -0.7123 Soluble
164 P H -0.9054 Soluble
165 V H 0.0000 Buried
166 T H -0.5124 Soluble
167 V H -0.0456 Soluble
168 S H -0.3107 Soluble
169 W H 0.0000 Buried
170 N H -0.7064 Soluble
171 S H -0.6091 Soluble
172 G H -0.4637 Soluble
173 A H -0.2047 Soluble
174 L H 0.0412 Aggregation-prone
175 T H -0.1476 Soluble
176 S H -0.1822 Soluble
177 G H -0.1857 Soluble
178 V H 0.2159 Aggregation-prone
179 H H -0.2703 Soluble
180 T H 0.1143 Aggregation-prone
181 F H 0.0000 Buried
182 P H -0.1913 Soluble
183 A H 0.2953 Aggregation-prone
184 V H 0.5269 Aggregation-prone
185 L H 1.1578 Aggregation-prone
186 Q H 0.2478 Aggregation-prone
187 S H -0.0720 Soluble
188 S H -0.2388 Soluble
189 G H 0.0176 Aggregation-prone
190 L H 0.0501 Aggregation-prone
191 Y H 0.3494 Aggregation-prone
192 S H 0.0000 Buried
193 L H 0.0887 Aggregation-prone
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 -0.1331 Soluble
199 V H 0.0000 Buried
200 P H -0.4843 Soluble
201 S H -0.5305 Soluble
202 S H -0.5490 Soluble
203 S H -0.5667 Soluble
204 L H -0.7414 Soluble
205 G H -0.9905 Soluble
206 T H -0.7285 Soluble
207 Q H -1.2622 Soluble
208 T H -1.1258 Soluble
209 Y H 0.0000 Buried
210 I H -1.2357 Soluble
211 C H 0.0000 Buried
212 N H -1.3587 Soluble
213 V H 0.0000 Buried
214 N H -1.6964 Soluble
215 H H 0.0000 Buried
216 K H -3.0049 Soluble
217 P H -2.0662 Soluble
218 S H -2.0278 Soluble
219 N H -2.5278 Soluble
220 T H -2.0786 Soluble
221 K H -2.6285 Soluble
222 V H -1.5982 Soluble
223 D H -2.2512 Soluble
224 K H -1.9446 Soluble
225 K H -2.4999 Soluble
226 V H 0.0000 Buried
227 E H -2.3989 Soluble
228 P H -1.1680 Soluble
1 D L -2.4002 Soluble
2 I L 0.0000 Buried
3 Q L -2.0282 Soluble
4 M L 0.0000 Buried
5 T L -1.0506 Soluble
6 Q L 0.0000 Buried
7 S L -0.6997 Soluble
8 P L -0.6073 Soluble
9 S L -0.8638 Soluble
10 S L -0.8930 Soluble
11 L L -0.6177 Soluble
12 S L -0.9052 Soluble
13 A L -1.0241 Soluble
14 A L -0.9172 Soluble
15 V L -0.1075 Soluble
16 G L -0.9243 Soluble
17 D L -1.8545 Soluble
18 R L -2.4211 Soluble
19 V L 0.0000 Buried
20 T L -0.6209 Soluble
21 I L 0.0000 Buried
22 T L -0.7291 Soluble
23 C L 0.0000 Buried
24 Q L -2.2147 Soluble
25 A L -2.0074 Soluble
26 S L -2.0484 Soluble
27 Q L -2.3708 Soluble
28 D L -2.1971 Soluble
29 I L 0.0000 Buried
36 V L 0.7225 Aggregation-prone
37 N L 0.1464 Aggregation-prone
38 Y L 0.5613 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 0.0000 Buried
45 K L -1.5529 Soluble
46 P L -1.4228 Soluble
47 G L -1.5984 Soluble
48 K L -2.4834 Soluble
49 A L -1.5960 Soluble
50 P L 0.0000 Buried
51 K L -1.6881 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.3484 Aggregation-prone
56 V L 0.7027 Aggregation-prone
57 A L 0.0000 Buried
65 S L -0.3387 Soluble
66 N L -0.3573 Soluble
67 L L 0.0742 Aggregation-prone
68 E L -0.6347 Soluble
69 T L -0.3951 Soluble
70 G L -0.4704 Soluble
71 V L -0.3044 Soluble
72 P L -0.3095 Soluble
74 S L -0.4423 Soluble
75 R L -0.8525 Soluble
76 F L 0.0000 Buried
77 S L -0.3798 Soluble
78 G L -0.2704 Soluble
79 S L -0.8058 Soluble
80 G L -0.8972 Soluble
83 S L -0.7256 Soluble
84 G L -1.0368 Soluble
85 T L -1.8635 Soluble
86 D L -2.3317 Soluble
87 F L 0.0000 Buried
88 S L -0.7482 Soluble
89 L L 0.0000 Buried
90 T L -0.6446 Soluble
91 I L 0.0000 Buried
92 S L -1.5627 Soluble
93 S L -1.3486 Soluble
94 L L 0.0000 Buried
95 Q L -0.9380 Soluble
96 P L -1.3175 Soluble
97 E L -1.4310 Soluble
98 D L 0.0000 Buried
99 V L -1.0469 Soluble
100 A L 0.0000 Buried
101 T L -0.9160 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 0.0000 Buried
108 D L -0.9872 Soluble
109 N L -1.5852 Soluble
114 L L -0.7881 Soluble
115 P L 0.0000 Buried
116 L L 0.0000 Buried
117 T L -0.7850 Soluble
118 F L -0.2269 Soluble
119 G L 0.0000 Buried
120 G L -1.0723 Soluble
121 G L -0.9575 Soluble
122 T L 0.0000 Buried
123 K L -1.7515 Soluble
124 V L 0.0000 Buried
125 E L 0.0000 Buried
126 I L 0.0000 Buried
127 K L -1.6051 Soluble
128 R L -0.9606 Soluble
129 T L -0.2666 Soluble
130 V L 0.0336 Aggregation-prone
131 A L 0.0495 Aggregation-prone
132 A L -0.1085 Soluble
133 P L 0.0000 Buried
134 S L -0.1219 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 -0.9082 Soluble
140 P L 0.0000 Buried
141 S L -1.6246 Soluble
142 D L -2.9455 Soluble
143 E L -3.0262 Soluble
144 Q L 0.0000 Buried
145 L L -2.2799 Soluble
146 K L -2.8466 Soluble
147 S L -1.8290 Soluble
148 G L -1.3442 Soluble
149 T L -1.1257 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 -0.5502 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.7178 Soluble
162 R L -2.5109 Soluble
163 E L -3.0825 Soluble
164 A L -2.1713 Soluble
165 K L -2.5579 Soluble
166 V L -1.2938 Soluble
167 Q L -0.9436 Soluble
168 W L 0.0000 Buried
169 K L -0.5202 Soluble
170 V L 0.0000 Buried
171 D L -1.8150 Soluble
172 N L -1.4734 Soluble
173 A L -0.2006 Soluble
174 L L 0.6636 Aggregation-prone
175 Q L -0.2194 Soluble
176 S L -0.4313 Soluble
177 G L -0.9776 Soluble
178 N L -0.7875 Soluble
179 S L -1.1718 Soluble
180 Q L -1.4071 Soluble
181 E L -1.9988 Soluble
182 S L -0.7640 Soluble
183 V L -0.2986 Soluble
184 T L -0.7017 Soluble
185 E L -1.7491 Soluble
186 Q L 0.0000 Buried
187 D L -1.6955 Soluble
188 S L -1.9152 Soluble
189 K L -2.4031 Soluble
190 D L -1.7815 Soluble
191 S L 0.0000 Buried
192 T L 0.0000 Buried
193 Y L -1.0599 Soluble
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 -0.6529 Soluble
199 L L 0.0000 Buried
200 T L -0.2776 Soluble
201 L L -0.6932 Soluble
202 S L -1.3777 Soluble
203 K L -2.3245 Soluble
204 A L -2.0888 Soluble
205 D L -2.9445 Soluble
206 Y L 0.0000 Buried
207 E L -3.8105 Soluble
208 K L -3.8578 Soluble
209 H L -3.3284 Soluble
210 K L -3.6014 Soluble
211 V L -1.9664 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.8257 Soluble
216 V L 0.0000 Buried
217 T L -1.2504 Soluble
218 H L 0.0000 Buried
219 Q L -1.4481 Soluble
220 G L -0.5519 Soluble
221 L L -0.3150 Soluble
222 S L -0.4899 Soluble
223 S L -0.4001 Soluble
224 P L -0.5115 Soluble
225 V L 0.0689 Aggregation-prone
226 T L -0.4419 Soluble
227 K L -0.7485 Soluble
228 S L -1.0844 Soluble
229 F L 0.0000 Buried
230 N L -2.6043 Soluble
231 R L -3.3217 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 -0.6445 3.0476 CSV PDB
4.5 -0.6882 3.0476 CSV PDB
5.0 -0.7374 3.0476 CSV PDB
5.5 -0.7821 3.0476 CSV PDB
6.0 -0.8119 3.0476 CSV PDB
6.5 -0.8197 3.0476 CSV PDB
7.0 -0.807 3.0476 CSV PDB
7.5 -0.7812 3.0476 CSV PDB
8.0 -0.7482 3.0476 CSV PDB
8.5 -0.7092 3.0476 CSV PDB
9.0 -0.664 3.0476 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH