Sotrovimab / 8fxc

A4DAB245_8fxc_H_L | Source PDB: 8fxc | Chains: H, L | Done
99.57
Yes
10 Å
Yes
Avg A4D Score
-0.576
Max Score
1.7476
Min Score
-3.6502
Total Score
-130.75
Score CDR
-0.1225
Score non-CDR
-0.7175

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 -3.6502
Maximum Score 1.7476
Average Score -0.576
Total Score -130.75

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

Index Residue Chain A4D Score Classification
2 V H 0.8076 Aggregation-prone
3 Q H -0.5214 Soluble
4 L H 0.0000 Buried
5 V H 0.1604 Aggregation-prone
6 Q H 0.0000 Buried
7 S H -0.6085 Soluble
8 G H -0.5919 Soluble
9 A H -0.0277 Soluble
11 E H -0.4690 Soluble
12 V H 0.8404 Aggregation-prone
13 K H -0.8294 Soluble
14 K H -2.0526 Soluble
15 P H -2.3731 Soluble
16 G H -2.1444 Soluble
17 A H -1.5818 Soluble
18 S H -2.0000 Soluble
19 V H 0.0000 Buried
20 K H -2.1184 Soluble
21 V H 0.0000 Buried
22 S H -0.5744 Soluble
23 C H 0.0000 Buried
24 K H -1.1037 Soluble
25 A H 0.0000 Buried
26 S H -0.2691 Soluble
27 G H -0.0006 Soluble
28 Y H 0.0872 Aggregation-prone
29 P H -0.1296 Soluble
30 F H 0.0000 Buried
35 T H 0.1978 Aggregation-prone
36 S H 0.3147 Aggregation-prone
37 Y H 0.5291 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 0.0000 Buried
44 Q H -0.5587 Soluble
45 A H -0.8890 Soluble
46 P H -0.8592 Soluble
47 G H -1.2144 Soluble
48 Q H -1.7458 Soluble
49 G H -1.0379 Soluble
50 L H 0.0000 Buried
51 E H -0.7314 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 0.4884 Aggregation-prone
62 N H -0.9208 Soluble
63 G H -1.4072 Soluble
64 N H -1.7515 Soluble
65 T H -1.0824 Soluble
66 N H -0.8824 Soluble
67 Y H -0.8707 Soluble
68 A H 0.0000 Buried
69 Q H -2.3773 Soluble
70 K H -2.6914 Soluble
71 F H 0.0000 Buried
72 Q H -2.2919 Soluble
74 G H -1.8228 Soluble
75 R H -1.8362 Soluble
76 V H 0.0000 Buried
77 T H -0.7693 Soluble
78 M H 0.0000 Buried
79 T H -0.5028 Soluble
80 T H -0.4841 Soluble
81 D H -1.3143 Soluble
82 T H -0.5782 Soluble
83 S H -0.5909 Soluble
84 T H -0.6959 Soluble
85 T H -0.8200 Soluble
86 T H 0.0000 Buried
87 G H 0.0000 Buried
88 Y H -0.5442 Soluble
89 M H 0.0000 Buried
90 E H -1.4339 Soluble
91 L H 0.0000 Buried
92 R H -2.4451 Soluble
93 R H -3.0338 Soluble
94 L H 0.0000 Buried
95 R H -3.0406 Soluble
96 S H -1.9688 Soluble
97 D H -2.3266 Soluble
98 D H 0.0000 Buried
99 T H -0.4669 Soluble
100 A H 0.0000 Buried
101 V H 0.4585 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 0.9033 Aggregation-prone
109 T H 0.0000 Buried
110 R H -0.0675 Soluble
111 G H 0.5357 Aggregation-prone
111A A H 0.0000 Buried
111B W H 1.4995 Aggregation-prone
111C F H 1.7476 Aggregation-prone
112D G H -0.2218 Soluble
112C E H -1.0748 Soluble
112B S H -0.6259 Soluble
112A L H 0.4716 Aggregation-prone
112 I H 1.7094 Aggregation-prone
113 G H 0.0000 Buried
114 G H 0.0000 Buried
115 F H 0.0000 Buried
116 D H -0.9295 Soluble
117 N H -0.7751 Soluble
118 W H -0.8825 Soluble
119 G H 0.0000 Buried
120 Q H -1.2785 Soluble
121 G H 0.0000 Buried
122 T H 0.0000 Buried
123 L H 0.6975 Aggregation-prone
124 V H 0.0000 Buried
125 T H 0.1789 Aggregation-prone
126 V H -0.7112 Soluble
2 I L 0.7727 Aggregation-prone
3 V L 1.4510 Aggregation-prone
4 L L 0.0000 Buried
5 T L -0.5218 Soluble
6 Q L -0.9435 Soluble
7 S L -0.9483 Soluble
8 P L -0.6797 Soluble
9 G L -0.9813 Soluble
10 T L -0.6925 Soluble
11 L L -0.2332 Soluble
12 S L -0.2464 Soluble
13 L L -0.4102 Soluble
14 S L -1.0177 Soluble
15 P L -2.1073 Soluble
16 G L -2.5211 Soluble
17 E L -3.6502 Soluble
18 R L -3.5962 Soluble
19 A L 0.0000 Buried
20 T L -0.5285 Soluble
21 L L 0.0000 Buried
22 S L -0.9551 Soluble
23 C L 0.0000 Buried
24 R L -2.3098 Soluble
25 A L -1.1425 Soluble
26 S L -0.6556 Soluble
27 Q L -1.2684 Soluble
28 T L -1.3134 Soluble
29 V L 0.0000 Buried
30 S L -0.6093 Soluble
36 S L -0.4887 Soluble
37 T L 0.1724 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 -0.8853 Soluble
45 K L -1.3112 Soluble
46 P L -0.9636 Soluble
47 G L -1.4447 Soluble
48 Q L -2.0273 Soluble
49 A L -1.3681 Soluble
50 P L 0.0000 Buried
51 R L -1.3400 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.3793 Aggregation-prone
56 G L 0.3499 Aggregation-prone
57 A L 0.0000 Buried
65 S L -0.5383 Soluble
66 S L -0.3433 Soluble
67 R L -1.1588 Soluble
68 A L 0.0000 Buried
69 T L -0.6291 Soluble
70 G L -0.8366 Soluble
71 I L 0.0000 Buried
72 P L -1.3252 Soluble
74 D L -2.2319 Soluble
75 R L -1.8766 Soluble
76 F L 0.0000 Buried
77 S L -0.8871 Soluble
78 G L -0.4408 Soluble
79 S L -0.6982 Soluble
80 G L -1.1317 Soluble
83 S L -0.9471 Soluble
84 G L -1.2255 Soluble
85 T L -1.8642 Soluble
86 D L -2.5544 Soluble
87 F L 0.0000 Buried
88 T L -0.8588 Soluble
89 L L 0.0000 Buried
90 T L -0.8174 Soluble
91 I L 0.0000 Buried
92 S L -2.5052 Soluble
93 R L -3.6070 Soluble
94 L L 0.0000 Buried
95 E L -2.7253 Soluble
96 P L -1.5666 Soluble
97 E L -2.1870 Soluble
98 D L 0.0000 Buried
99 F L -0.5112 Soluble
100 A L 0.0000 Buried
101 V L -0.1904 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 -1.2977 Soluble
114 T L -0.7231 Soluble
115 S L -0.5695 Soluble
116 L L 0.0000 Buried
117 T L 0.1740 Aggregation-prone
118 F L 0.2745 Aggregation-prone
119 G L 0.0000 Buried
120 G L -0.6882 Soluble
121 G L -0.8221 Soluble
122 T L 0.0000 Buried
123 K L -1.0834 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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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 -0.4457 5.3409 CSV PDB
4.5 -0.4807 5.2654 CSV PDB
5.0 -0.5235 5.1562 CSV PDB
5.5 -0.5665 5.0318 CSV PDB
6.0 -0.6023 4.9113 CSV PDB
6.5 -0.6263 4.8157 CSV PDB
7.0 -0.6376 4.7867 CSV PDB
7.5 -0.6393 4.7736 CSV PDB
8.0 -0.6351 4.7687 CSV PDB
8.5 -0.626 4.7669 CSV PDB
9.0 -0.6111 4.7658 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH