Sotrovimab / 8wyj

A4DAB245_8wyj_I_K | Source PDB: 8wyj | Chains: I, K | Done
99.57
Yes
10 Å
Yes
Avg A4D Score
-0.648
Max Score
2.0888
Min Score
-3.6165
Total Score
-149.68
Score CDR
-0.2088
Score non-CDR
-0.7819

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGYPFTSYGISWVRQAPGQGLEWMGWISTYNGNTNYAQKFQGRVTMTTDTSTTTGYMELRRLRSDDTAVYYCARDYTRGAWFGESLIGGFDNWGQGTLVTVSSIVLTQSPGTLSLSPGERATLSCRASQTVSSTSLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQHDTSLTFGGGTKVE input.pdb
Selected Chain(s) I (Heavy), K (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 -3.6165
Maximum Score 2.0888
Average Score -0.648
Total Score -149.6785

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

Index Residue Chain A4D Score Classification
1 Q I -1.4947 Soluble
2 V I -1.0058 Soluble
3 Q I -1.6185 Soluble
4 L I 0.0000 Buried
5 V I -0.4198 Soluble
6 Q I -0.6760 Soluble
7 S I -0.7903 Soluble
8 G I -0.5187 Soluble
9 A I -0.1611 Soluble
11 E I -0.6284 Soluble
12 V I 0.7958 Aggregation-prone
13 K I -0.3240 Soluble
14 K I -1.2196 Soluble
15 P I -1.7312 Soluble
16 G I -2.0464 Soluble
17 A I -1.6786 Soluble
18 S I -2.0053 Soluble
19 V I -1.3708 Soluble
20 K I -1.7080 Soluble
21 V I 0.0000 Buried
22 S I -0.6438 Soluble
23 C I 0.0000 Buried
24 K I -0.9705 Soluble
25 A I 0.0000 Buried
26 S I -0.9175 Soluble
27 G I -0.8789 Soluble
28 Y I -0.6244 Soluble
29 P I -0.3537 Soluble
30 F I 0.0000 Buried
35 T I -0.1421 Soluble
36 S I -0.2031 Soluble
37 Y I 0.0000 Buried
38 G I -0.1617 Soluble
39 I I 0.0000 Buried
40 S I 0.0000 Buried
41 W I 0.0000 Buried
42 V I 0.0000 Buried
43 R I -0.5265 Soluble
44 Q I 0.0000 Buried
45 A I -0.9772 Soluble
46 P I -0.9526 Soluble
47 G I -1.1816 Soluble
48 Q I -1.8493 Soluble
49 G I -1.2484 Soluble
50 L I 0.0000 Buried
51 E I -0.6138 Soluble
52 W I 0.0000 Buried
53 M I 0.0000 Buried
54 G I 0.0000 Buried
55 W I -0.4601 Soluble
56 I I 0.0000 Buried
57 S I -0.6896 Soluble
58 T I -0.3885 Soluble
59 Y I 0.2147 Aggregation-prone
62 N I -1.2800 Soluble
63 G I -1.4173 Soluble
64 N I -1.8848 Soluble
65 T I -1.3033 Soluble
66 N I -1.4607 Soluble
67 Y I -1.3342 Soluble
68 A I 0.0000 Buried
69 Q I -2.4346 Soluble
70 K I -2.6525 Soluble
71 F I 0.0000 Buried
72 Q I -2.7912 Soluble
74 G I -2.3217 Soluble
75 R I -2.8513 Soluble
76 V I 0.0000 Buried
77 T I -1.1501 Soluble
78 M I 0.0000 Buried
79 T I -0.6249 Soluble
80 T I -0.7248 Soluble
81 D I -1.3401 Soluble
82 T I -0.6697 Soluble
83 S I -0.6933 Soluble
84 T I -0.7516 Soluble
85 T I -0.7921 Soluble
86 T I 0.0000 Buried
87 G I 0.0000 Buried
88 Y I -0.5566 Soluble
89 M I 0.0000 Buried
90 E I -1.9817 Soluble
91 L I 0.0000 Buried
92 R I -3.2208 Soluble
93 R I -3.3856 Soluble
94 L I 0.0000 Buried
95 R I -2.7170 Soluble
96 S I -1.9404 Soluble
97 D I -2.3793 Soluble
98 D I -1.8026 Soluble
99 T I -0.5835 Soluble
100 A I 0.0000 Buried
101 V I 0.5911 Aggregation-prone
102 Y I 0.0000 Buried
103 Y I 0.0000 Buried
104 C I 0.0000 Buried
105 A I 0.0000 Buried
106 R I 0.0000 Buried
107 D I 0.0000 Buried
108 Y I 0.2511 Aggregation-prone
109 T I 0.5924 Aggregation-prone
110 R I 0.2316 Aggregation-prone
111 G I 0.2991 Aggregation-prone
111A A I 0.5992 Aggregation-prone
111B W I 1.6621 Aggregation-prone
111C F I 1.3035 Aggregation-prone
112D G I 0.6545 Aggregation-prone
112C E I -0.7771 Soluble
112B S I 0.0000 Buried
112A L I 1.0751 Aggregation-prone
112 I I 2.0888 Aggregation-prone
113 G I 0.8246 Aggregation-prone
114 G I 0.0000 Buried
115 F I 0.0000 Buried
116 D I -0.0445 Soluble
117 N I 0.0000 Buried
118 W I 0.0000 Buried
119 G I 0.0000 Buried
120 Q I -1.3997 Soluble
121 G I -0.5376 Soluble
122 T I 0.0000 Buried
123 L I 0.9697 Aggregation-prone
124 V I 0.0000 Buried
125 T I -0.0577 Soluble
126 V I -0.7758 Soluble
127 S I -0.2954 Soluble
128 S I -0.1525 Soluble
2 I K 1.0375 Aggregation-prone
3 V K 1.6841 Aggregation-prone
4 L K 0.0000 Buried
5 T K -0.1707 Soluble
6 Q K 0.0000 Buried
7 S K -0.6601 Soluble
8 P K -0.9251 Soluble
9 G K -0.8424 Soluble
10 T K -0.7701 Soluble
11 L K 0.0057 Aggregation-prone
12 S K 0.0176 Aggregation-prone
13 L K 0.9468 Aggregation-prone
14 S K -0.6020 Soluble
15 P K -1.3425 Soluble
16 G K -2.5568 Soluble
17 E K -3.4252 Soluble
18 R K -2.7610 Soluble
19 A K 0.0000 Buried
20 T K -0.3210 Soluble
21 L K 0.0313 Aggregation-prone
22 S K -0.6037 Soluble
23 C K 0.0000 Buried
24 R K -1.2577 Soluble
25 A K 0.0000 Buried
26 S K -0.3123 Soluble
27 Q K -1.1170 Soluble
28 T K -1.0064 Soluble
29 V K 0.0000 Buried
30 S K -1.0058 Soluble
36 S K -0.7360 Soluble
37 T K -0.8348 Soluble
38 S K 0.0000 Buried
39 L K 0.0000 Buried
40 A K 0.0000 Buried
41 W K 0.0000 Buried
42 Y K 0.0000 Buried
43 Q K 0.0000 Buried
44 Q K -1.1840 Soluble
45 K K -1.8718 Soluble
46 P K -1.4681 Soluble
47 G K -1.3375 Soluble
48 Q K -1.9594 Soluble
49 A K -1.3221 Soluble
50 P K 0.0000 Buried
51 R K -0.7789 Soluble
52 L K 0.0000 Buried
53 L K 0.0000 Buried
54 I K 0.0000 Buried
55 Y K -0.3621 Soluble
56 G K -0.7316 Soluble
57 A K 0.0000 Buried
65 S K -0.7709 Soluble
66 S K -0.8896 Soluble
67 R K -1.7840 Soluble
68 A K -0.6250 Soluble
69 T K -0.6844 Soluble
70 G K -1.0481 Soluble
71 I K -0.9551 Soluble
72 P K -1.2177 Soluble
74 D K -2.2838 Soluble
75 R K -1.8809 Soluble
76 F K 0.0000 Buried
77 S K -0.8348 Soluble
78 G K 0.0000 Buried
79 S K -0.7678 Soluble
80 G K -0.9997 Soluble
83 S K -1.0258 Soluble
84 G K -1.0610 Soluble
85 T K -1.3137 Soluble
86 D K -1.7402 Soluble
87 F K 0.0000 Buried
88 T K -0.4994 Soluble
89 L K 0.0000 Buried
90 T K -0.5536 Soluble
91 I K 0.0000 Buried
92 S K -2.1314 Soluble
93 R K -3.6165 Soluble
94 L K 0.0000 Buried
95 E K -3.4902 Soluble
96 P K -2.5076 Soluble
97 E K -2.7482 Soluble
98 D K -2.0790 Soluble
99 F K -1.6051 Soluble
100 A K 0.0000 Buried
101 V K 0.0000 Buried
102 Y K 0.0000 Buried
103 Y K 0.0000 Buried
104 C K 0.0000 Buried
105 Q K 0.0000 Buried
106 Q K 0.0000 Buried
107 H K -1.1092 Soluble
108 D K -1.9889 Soluble
114 T K -0.8856 Soluble
115 S K -0.7696 Soluble
116 L K 0.0000 Buried
117 T K 0.0335 Aggregation-prone
118 F K 0.0000 Buried
119 G K -0.2027 Soluble
120 G K -0.8146 Soluble
121 G K 0.0000 Buried
122 T K 0.0000 Buried
123 K K -2.4174 Soluble
124 V K 0.0000 Buried
125 E K -1.7542 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
Load structure at specific pH condition
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 -0.4808 5.0628 CSV PDB
4.5 -0.526 5.0146 CSV PDB
5.0 -0.5814 4.9519 CSV PDB
5.5 -0.6381 4.8853 CSV PDB
6.0 -0.6875 4.825 CSV PDB
6.5 -0.7227 4.7811 CSV PDB
7.0 -0.7414 4.7574 CSV PDB
7.5 -0.7485 4.7477 CSV PDB
8.0 -0.7489 4.7443 CSV PDB
8.5 -0.744 4.7432 CSV PDB
9.0 -0.733 4.7428 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH