Sotrovimab / 8fxb

A4DAB245_8fxb_H_L | Source PDB: 8fxb | Chains: H, L | Done
99.57
Yes
10 Å
Yes
Avg A4D Score
-0.638
Max Score
1.7912
Min Score
-3.8114
Total Score
-144.82
Score CDR
-0.1064
Score non-CDR
-0.8039

Calculation Parameters

Chain Sequence(s) VQLVQSGAEVKKPGASVKVSCKASGYPFTSYGISWVRQAPGQGLEWMGWISTYNGNTNYAQKFQGRVTMTTDTSTTTGYMELRRLRSDDTAVYYCARDYTRGAWFGESLIGGFDNWGQGTLVTVIVLTQSPGTLSLSPGERATLSCRASQTVSSTSLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQHDTSLTFGGGTKV 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 -3.8114
Maximum Score 1.7912
Average Score -0.638
Total Score -144.8247

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

Index Residue Chain A4D Score Classification
2 V H 0.3442 Aggregation-prone
3 Q H -0.7526 Soluble
4 L H 0.0000 Buried
5 V H 0.2429 Aggregation-prone
6 Q H -0.1759 Soluble
7 S H -0.7173 Soluble
8 G H -0.6643 Soluble
9 A H -0.1516 Soluble
11 E H -0.6991 Soluble
12 V H 0.6983 Aggregation-prone
13 K H -1.0083 Soluble
14 K H -2.1926 Soluble
15 P H -2.7181 Soluble
16 G H -2.3916 Soluble
17 A H -1.8975 Soluble
18 S H -2.4151 Soluble
19 V H 0.0000 Buried
20 K H -2.0948 Soluble
21 V H 0.0000 Buried
22 S H -0.4782 Soluble
23 C H 0.0000 Buried
24 K H -1.3066 Soluble
25 A H 0.0000 Buried
26 S H -0.5337 Soluble
27 G H -0.2485 Soluble
28 Y H -0.0569 Soluble
29 P H -0.1821 Soluble
30 F H 0.0000 Buried
35 T H 0.2862 Aggregation-prone
36 S H 0.3987 Aggregation-prone
37 Y H 0.6213 Aggregation-prone
38 G H 0.0000 Buried
39 I H 0.0000 Buried
40 S H 0.0000 Buried
41 W H 0.0000 Buried
42 V H 0.0000 Buried
43 R H -0.4207 Soluble
44 Q H -0.6349 Soluble
45 A H -0.9026 Soluble
46 P H -0.8798 Soluble
47 G H -1.2153 Soluble
48 Q H -1.7669 Soluble
49 G H -1.0998 Soluble
50 L H 0.0000 Buried
51 E H -0.7634 Soluble
52 W H 0.0000 Buried
53 M H 0.0000 Buried
54 G H 0.0000 Buried
55 W H 0.0000 Buried
56 I H 0.0000 Buried
57 S H 0.0000 Buried
58 T H 0.0000 Buried
59 Y H 0.7319 Aggregation-prone
62 N H -0.5701 Soluble
63 G H -1.0787 Soluble
64 N H -1.6595 Soluble
65 T H -1.1788 Soluble
66 N H -1.1463 Soluble
67 Y H -1.1323 Soluble
68 A H 0.0000 Buried
69 Q H -2.6168 Soluble
70 K H -2.7247 Soluble
71 F H 0.0000 Buried
72 Q H -2.5217 Soluble
74 G H -2.0787 Soluble
75 R H -2.3695 Soluble
76 V H 0.0000 Buried
77 T H -0.8042 Soluble
78 M H 0.0000 Buried
79 T H -0.4208 Soluble
80 T H -0.4498 Soluble
81 D H -1.3507 Soluble
82 T H -0.6105 Soluble
83 S H -0.6129 Soluble
84 T H -0.7905 Soluble
85 T H -0.9125 Soluble
86 T H 0.0000 Buried
87 G H 0.0000 Buried
88 Y H -0.3268 Soluble
89 M H 0.0000 Buried
90 E H -1.3086 Soluble
91 L H 0.0000 Buried
92 R H -3.4329 Soluble
93 R H -3.6451 Soluble
94 L H 0.0000 Buried
95 R H -3.6334 Soluble
96 S H -2.5038 Soluble
97 D H -2.4995 Soluble
98 D H 0.0000 Buried
99 T H -0.5735 Soluble
100 A H 0.0000 Buried
101 V H 0.3600 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 R H 0.0000 Buried
107 D H 0.0000 Buried
108 Y H 0.9019 Aggregation-prone
109 T H 0.0000 Buried
110 R H -0.1577 Soluble
111 G H 0.0000 Buried
111A A H 0.0000 Buried
111B W H 1.5677 Aggregation-prone
111C F H 1.7565 Aggregation-prone
112D G H -0.3130 Soluble
112C E H -1.3287 Soluble
112B S H -0.6772 Soluble
112A L H 0.4426 Aggregation-prone
112 I H 1.6044 Aggregation-prone
113 G H 0.0000 Buried
114 G H 0.0000 Buried
115 F H 0.0000 Buried
116 D H -1.0984 Soluble
117 N H -0.8882 Soluble
118 W H 0.0000 Buried
119 G H 0.0000 Buried
120 Q H -1.2626 Soluble
121 G H -0.5094 Soluble
122 T H 0.0000 Buried
123 L H 0.6542 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.1657 Soluble
126 V H -0.9915 Soluble
2 I L 1.4310 Aggregation-prone
3 V L 1.7912 Aggregation-prone
4 L L 0.0000 Buried
5 T L -0.4177 Soluble
6 Q L -0.8827 Soluble
7 S L -0.9972 Soluble
8 P L -0.7901 Soluble
9 G L -1.1570 Soluble
10 T L -0.8842 Soluble
11 L L -0.4076 Soluble
12 S L -0.3016 Soluble
13 L L -0.3588 Soluble
14 S L -1.2800 Soluble
15 P L -2.2502 Soluble
16 G L -2.8614 Soluble
17 E L -3.7864 Soluble
18 R L -3.7016 Soluble
19 A L 0.0000 Buried
20 T L -0.5238 Soluble
21 L L 0.0000 Buried
22 S L -0.9333 Soluble
23 C L 0.0000 Buried
24 R L -1.9573 Soluble
25 A L -0.8237 Soluble
26 S L -0.3321 Soluble
27 Q L -0.8616 Soluble
28 T L -1.0360 Soluble
29 V L 0.0000 Buried
30 S L -0.5037 Soluble
36 S L -0.3010 Soluble
37 T L 0.1599 Aggregation-prone
38 S L 0.0000 Buried
39 L L 0.0000 Buried
40 A 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 -1.2727 Soluble
45 K L -1.9511 Soluble
46 P L -1.1602 Soluble
47 G L -1.4873 Soluble
48 Q L -2.0684 Soluble
49 A L -1.4562 Soluble
50 P L 0.0000 Buried
51 R L -1.6512 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.1695 Aggregation-prone
56 G L 0.1754 Aggregation-prone
57 A L 0.0000 Buried
65 S L -0.7173 Soluble
66 S L -0.8267 Soluble
67 R L -1.8507 Soluble
68 A L 0.0000 Buried
69 T L -0.7534 Soluble
70 G L -0.9460 Soluble
71 I L 0.0000 Buried
72 P L -1.4267 Soluble
74 D L -2.3435 Soluble
75 R L -2.1902 Soluble
76 F L 0.0000 Buried
77 S L -1.1113 Soluble
78 G L -0.5933 Soluble
79 S L -0.7485 Soluble
80 G L -0.9888 Soluble
83 S L -1.1013 Soluble
84 G L -1.1438 Soluble
85 T L -1.6796 Soluble
86 D L -2.3924 Soluble
87 F L 0.0000 Buried
88 T L -0.8540 Soluble
89 L L 0.0000 Buried
90 T L -0.8249 Soluble
91 I L 0.0000 Buried
92 S L -2.5980 Soluble
93 R L -3.8114 Soluble
94 L L 0.0000 Buried
95 E L -2.9146 Soluble
96 P L -1.8406 Soluble
97 E L -2.2705 Soluble
98 D L 0.0000 Buried
99 F L -0.7169 Soluble
100 A L 0.0000 Buried
101 V L -0.7190 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 H L 0.0000 Buried
108 D L -0.9373 Soluble
114 T L -0.4210 Soluble
115 S L -0.4673 Soluble
116 L L 0.0000 Buried
117 T L 0.2926 Aggregation-prone
118 F L 0.3116 Aggregation-prone
119 G L 0.0000 Buried
120 G L -0.6855 Soluble
121 G L -1.0003 Soluble
122 T L 0.0000 Buried
123 K L -1.7826 Soluble
124 V L 0.0000 Buried

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 -0.5951 5.364 CSV PDB
4.5 -0.6313 5.2852 CSV PDB
5.0 -0.6742 5.1688 CSV PDB
5.5 -0.7161 5.034 CSV PDB
6.0 -0.7496 4.9211 CSV PDB
6.5 -0.769 4.8679 CSV PDB
7.0 -0.7738 4.8346 CSV PDB
7.5 -0.7683 4.8192 CSV PDB
8.0 -0.7564 4.8133 CSV PDB
8.5 -0.7391 4.8111 CSV PDB
9.0 -0.7162 4.8095 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH