Sotrovimab / 8wyj

A4DAB245_8wyj_E_G | Source PDB: 8wyj | Chains: E, G | Done
99.57
Yes
10 Å
Yes
Avg A4D Score
-0.6423
Max Score
1.6319
Min Score
-3.3046
Total Score
-148.37
Score CDR
-0.3092
Score non-CDR
-0.7439

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGYPFTSYGISWVRQAPGQGLEWMGWISTYNGNTNYAQKFQGRVTMTTDTSTTTGYMELRRLRSDDTAVYYCARDYTRGAWFGESLIGGFDNWGQGTLVTVSSIVLTQSPGTLSLSPGERATLSCRASQTVSSTSLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQHDTSLTFGGGTKVE input.pdb
Selected Chain(s) E (Heavy), G (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 -3.3046
Maximum Score 1.6319
Average Score -0.6423
Total Score -148.3746

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

Index Residue Chain A4D Score Classification
1 Q E -1.6073 Soluble
2 V E -1.2017 Soluble
3 Q E -1.5953 Soluble
4 L E 0.0000 Buried
5 V E -0.1710 Soluble
6 Q E 0.0000 Buried
7 S E -0.6535 Soluble
8 G E -0.4928 Soluble
9 A E -0.1534 Soluble
11 E E -0.6761 Soluble
12 V E 0.6210 Aggregation-prone
13 K E -0.8444 Soluble
14 K E -2.1895 Soluble
15 P E -2.0569 Soluble
16 G E -2.1149 Soluble
17 A E -1.7390 Soluble
18 S E -1.6426 Soluble
19 V E -1.1824 Soluble
20 K E -1.4068 Soluble
21 V E 0.0000 Buried
22 S E -0.5168 Soluble
23 C E 0.0000 Buried
24 K E -1.0453 Soluble
25 A E 0.0000 Buried
26 S E -0.9354 Soluble
27 G E -0.8389 Soluble
28 Y E -0.6608 Soluble
29 P E -0.1889 Soluble
30 F E 0.0000 Buried
35 T E -0.0359 Soluble
36 S E -0.1393 Soluble
37 Y E 0.0000 Buried
38 G E -0.0008 Soluble
39 I E 0.0000 Buried
40 S E 0.0000 Buried
41 W E 0.0000 Buried
42 V E 0.0000 Buried
43 R E -0.5269 Soluble
44 Q E -0.6015 Soluble
45 A E -1.0047 Soluble
46 P E -0.9675 Soluble
47 G E -1.2054 Soluble
48 Q E -1.7149 Soluble
49 G E -1.2700 Soluble
50 L E 0.0000 Buried
51 E E -0.6507 Soluble
52 W E 0.0000 Buried
53 M E 0.0000 Buried
54 G E 0.0000 Buried
55 W E -0.4532 Soluble
56 I E 0.0000 Buried
57 S E -0.7212 Soluble
58 T E -0.4216 Soluble
59 Y E 0.2546 Aggregation-prone
62 N E -1.2385 Soluble
63 G E -1.4553 Soluble
64 N E -1.8520 Soluble
65 T E -1.2645 Soluble
66 N E -1.4207 Soluble
67 Y E -1.3054 Soluble
68 A E 0.0000 Buried
69 Q E -2.5250 Soluble
70 K E -2.7613 Soluble
71 F E 0.0000 Buried
72 Q E -2.6225 Soluble
74 G E -1.9425 Soluble
75 R E -2.0471 Soluble
76 V E 0.0000 Buried
77 T E -0.7865 Soluble
78 M E 0.0000 Buried
79 T E -0.5233 Soluble
80 T E -0.6803 Soluble
81 D E -1.2226 Soluble
82 T E -0.5905 Soluble
83 S E -0.6529 Soluble
84 T E -0.7406 Soluble
85 T E -0.8235 Soluble
86 T E 0.0000 Buried
87 G E 0.0000 Buried
88 Y E -0.4602 Soluble
89 M E 0.0000 Buried
90 E E -1.1916 Soluble
91 L E 0.0000 Buried
92 R E -2.2821 Soluble
93 R E -2.8883 Soluble
94 L E 0.0000 Buried
95 R E -2.7435 Soluble
96 S E -2.0642 Soluble
97 D E -2.2089 Soluble
98 D E 0.0000 Buried
99 T E -0.4974 Soluble
100 A E 0.0000 Buried
101 V E 0.5663 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 R E 0.0000 Buried
107 D E 0.0000 Buried
108 Y E 0.7824 Aggregation-prone
109 T E 0.0000 Buried
110 R E -0.5411 Soluble
111 G E -0.2067 Soluble
111A A E 0.3327 Aggregation-prone
111B W E 1.2593 Aggregation-prone
111C F E 0.8739 Aggregation-prone
112D G E -0.1987 Soluble
112C E E -1.5052 Soluble
112B S E 0.0000 Buried
112A L E -0.2615 Soluble
112 I E 0.4234 Aggregation-prone
113 G E 0.0954 Aggregation-prone
114 G E 0.0000 Buried
115 F E 0.0000 Buried
116 D E 0.0000 Buried
117 N E 0.0000 Buried
118 W E 0.0000 Buried
119 G E 0.0000 Buried
120 Q E -1.3892 Soluble
121 G E -0.4586 Soluble
122 T E 0.0000 Buried
123 L E 0.9545 Aggregation-prone
124 V E 0.0000 Buried
125 T E -0.1286 Soluble
126 V E -0.9061 Soluble
127 S E -0.4964 Soluble
128 S E -0.3360 Soluble
2 I G 1.0325 Aggregation-prone
3 V G 1.6319 Aggregation-prone
4 L G 0.0000 Buried
5 T G -0.3208 Soluble
6 Q G -0.7875 Soluble
7 S G -0.7154 Soluble
8 P G -0.4440 Soluble
9 G G 0.0000 Buried
10 T G -0.8782 Soluble
11 L G -0.2985 Soluble
12 S G -0.1881 Soluble
13 L G 0.6832 Aggregation-prone
14 S G -0.6436 Soluble
15 P G -1.1428 Soluble
16 G G -1.9840 Soluble
17 E G -3.0112 Soluble
18 R G -3.3046 Soluble
19 A G -1.5174 Soluble
20 T G -0.5662 Soluble
21 L G 0.0000 Buried
22 S G -0.7160 Soluble
23 C G 0.0000 Buried
24 R G -1.3970 Soluble
25 A G 0.0000 Buried
26 S G -0.3147 Soluble
27 Q G -1.1047 Soluble
28 T G -0.9758 Soluble
29 V G 0.0000 Buried
30 S G -0.7273 Soluble
36 S G -0.5037 Soluble
37 T G -0.6578 Soluble
38 S G 0.0000 Buried
39 L G 0.0000 Buried
40 A G 0.0000 Buried
41 W G 0.0000 Buried
42 Y G 0.0000 Buried
43 Q G 0.0000 Buried
44 Q G 0.0000 Buried
45 K G -1.8854 Soluble
46 P G -1.1547 Soluble
47 G G -1.4829 Soluble
48 Q G -2.1535 Soluble
49 A G -1.5490 Soluble
50 P G 0.0000 Buried
51 R G -1.8087 Soluble
52 L G 0.0000 Buried
53 L G 0.0000 Buried
54 I G 0.0000 Buried
55 Y G 0.2526 Aggregation-prone
56 G G -0.2362 Soluble
57 A G 0.0000 Buried
65 S G -0.5259 Soluble
66 S G -0.7373 Soluble
67 R G -1.0694 Soluble
68 A G -0.5497 Soluble
69 T G -0.6906 Soluble
70 G G -1.1033 Soluble
71 I G 0.0000 Buried
72 P G -1.5139 Soluble
74 D G -2.4517 Soluble
75 R G -2.2184 Soluble
76 F G 0.0000 Buried
77 S G -1.0060 Soluble
78 G G 0.0000 Buried
79 S G -0.6593 Soluble
80 G G -1.0885 Soluble
83 S G -1.0366 Soluble
84 G G -1.0120 Soluble
85 T G -1.2538 Soluble
86 D G -1.6282 Soluble
87 F G 0.0000 Buried
88 T G -0.6341 Soluble
89 L G 0.0000 Buried
90 T G -0.7921 Soluble
91 I G 0.0000 Buried
92 S G -2.2860 Soluble
93 R G -2.9962 Soluble
94 L G 0.0000 Buried
95 E G -2.2158 Soluble
96 P G -1.7764 Soluble
97 E G -2.2108 Soluble
98 D G -1.6686 Soluble
99 F G -1.3531 Soluble
100 A G 0.0000 Buried
101 V G 0.0000 Buried
102 Y G 0.0000 Buried
103 Y G 0.0000 Buried
104 C G 0.0000 Buried
105 Q G 0.0000 Buried
106 Q G 0.0000 Buried
107 H G -0.8758 Soluble
108 D G -1.7857 Soluble
114 T G -0.8835 Soluble
115 S G -0.9196 Soluble
116 L G 0.0000 Buried
117 T G 0.0071 Aggregation-prone
118 F G 0.0000 Buried
119 G G -0.3060 Soluble
120 G G -0.6903 Soluble
121 G G -1.0704 Soluble
122 T G 0.0000 Buried
123 K G -2.1854 Soluble
124 V G 0.0000 Buried
125 E G -1.6347 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
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Downloads
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 -0.5487 4.3996 CSV PDB
4.5 -0.5872 4.358 CSV PDB
5.0 -0.6325 4.3002 CSV PDB
5.5 -0.6766 4.236 CSV PDB
6.0 -0.7124 4.1752 CSV PDB
6.5 -0.7342 4.128 CSV PDB
7.0 -0.741 4.1003 CSV PDB
7.5 -0.7372 4.0883 CSV PDB
8.0 -0.7275 4.0839 CSV PDB
8.5 -0.7129 4.0825 CSV PDB
9.0 -0.6933 4.082 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH