Sotrovimab / 8s9g

A4DAB245_8s9g_H_L | Source PDB: 8s9g | Chains: H, L | Done
99.57
Yes
10 Å
Yes
Avg A4D Score
-0.6387
Max Score
2.2223
Min Score
-3.7416
Total Score
-144.98
Score CDR
-0.0859
Score non-CDR
-0.8112

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 -3.7416
Maximum Score 2.2223
Average Score -0.6387
Total Score -144.9766

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

Index Residue Chain A4D Score Classification
2 V H 0.8646 Aggregation-prone
3 Q H -0.7345 Soluble
4 L H 0.0000 Buried
5 V H -0.4786 Soluble
6 Q H 0.0000 Buried
7 S H -0.9081 Soluble
8 G H -0.8479 Soluble
9 A H -0.3573 Soluble
11 E H -0.9299 Soluble
12 V H 0.5960 Aggregation-prone
13 K H -1.0346 Soluble
14 K H -2.2060 Soluble
15 P H -2.7790 Soluble
16 G H -2.6721 Soluble
17 A H -2.0619 Soluble
18 S H -2.6369 Soluble
19 V H 0.0000 Buried
20 K H -2.3068 Soluble
21 V H 0.0000 Buried
22 S H -0.6739 Soluble
23 C H 0.0000 Buried
24 K H -1.4606 Soluble
25 A H 0.0000 Buried
26 S H -0.5008 Soluble
27 G H -0.0760 Soluble
28 Y H 0.0440 Aggregation-prone
29 P H -0.3144 Soluble
30 F H 0.0000 Buried
35 T H 0.2892 Aggregation-prone
36 S H 0.3975 Aggregation-prone
37 Y H 0.5409 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 -0.4194 Soluble
44 Q H -0.6411 Soluble
45 A H -0.9305 Soluble
46 P H -0.8712 Soluble
47 G H -1.2173 Soluble
48 Q H -1.7558 Soluble
49 G H -1.0940 Soluble
50 L H 0.0000 Buried
51 E H -0.8188 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 0.7228 Aggregation-prone
62 N H -0.6425 Soluble
63 G H -1.1826 Soluble
64 N H -1.4017 Soluble
65 T H -1.0828 Soluble
66 N H -0.9478 Soluble
67 Y H -1.0029 Soluble
68 A H 0.0000 Buried
69 Q H -2.4856 Soluble
70 K H -2.7055 Soluble
71 F H 0.0000 Buried
72 Q H -2.3581 Soluble
74 G H -1.9536 Soluble
75 R H -2.0729 Soluble
76 V H 0.0000 Buried
77 T H -0.9471 Soluble
78 M H 0.0000 Buried
79 T H -0.4433 Soluble
80 T H -0.4977 Soluble
81 D H -1.1938 Soluble
82 T H -0.5140 Soluble
83 S H -0.5726 Soluble
84 T H -0.7489 Soluble
85 T H -0.8370 Soluble
86 T H 0.0000 Buried
87 G H 0.0000 Buried
88 Y H -0.4957 Soluble
89 M H 0.0000 Buried
90 E H -1.6605 Soluble
91 L H 0.0000 Buried
92 R H -3.6185 Soluble
93 R H -3.7416 Soluble
94 L H 0.0000 Buried
95 R H -3.6886 Soluble
96 S H -2.2940 Soluble
97 D H -2.5153 Soluble
98 D H 0.0000 Buried
99 T H -0.6198 Soluble
100 A H 0.0000 Buried
101 V H 0.2691 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 -0.0726 Soluble
107 D H 0.0000 Buried
108 Y H 1.0508 Aggregation-prone
109 T H 0.0000 Buried
110 R H -0.0325 Soluble
111 G H 0.0000 Buried
111A A H 0.0000 Buried
111B W H 1.5928 Aggregation-prone
111C F H 1.6333 Aggregation-prone
112D G H -0.2760 Soluble
112C E H -1.2175 Soluble
112B S H -0.6314 Soluble
112A L H 0.7611 Aggregation-prone
112 I H 2.2223 Aggregation-prone
113 G H 0.0000 Buried
114 G H 0.0000 Buried
115 F H 0.0000 Buried
116 D H -0.3785 Soluble
117 N H -0.4580 Soluble
118 W H -0.6632 Soluble
119 G H 0.0000 Buried
120 Q H -1.4416 Soluble
121 G H -0.6327 Soluble
122 T H 0.0000 Buried
123 L H 0.2656 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.2385 Soluble
126 V H -1.0081 Soluble
2 I L 0.6633 Aggregation-prone
3 V L 1.3720 Aggregation-prone
4 L L 0.0000 Buried
5 T L -0.5996 Soluble
6 Q L -1.0117 Soluble
7 S L -1.0773 Soluble
8 P L -0.7859 Soluble
9 G L -1.1525 Soluble
10 T L -0.8495 Soluble
11 L L -0.3447 Soluble
12 S L -0.2239 Soluble
13 L L -0.2120 Soluble
14 S L -0.9931 Soluble
15 P L -1.8206 Soluble
16 G L -2.2223 Soluble
17 E L -3.1259 Soluble
18 R L -3.3831 Soluble
19 A L 0.0000 Buried
20 T L -0.6071 Soluble
21 L L 0.0000 Buried
22 S L -0.9757 Soluble
23 C L 0.0000 Buried
24 R L -2.3715 Soluble
25 A L -1.0990 Soluble
26 S L -0.6692 Soluble
27 Q L -1.4295 Soluble
28 T L -1.3584 Soluble
29 V L 0.0000 Buried
30 S L -0.4029 Soluble
36 S L -0.1918 Soluble
37 T L 0.3536 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 -1.6049 Soluble
45 K L -2.6972 Soluble
46 P L -1.5279 Soluble
47 G L -1.6914 Soluble
48 Q L -2.2867 Soluble
49 A L -1.5557 Soluble
50 P L 0.0000 Buried
51 R L -1.4047 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.5441 Aggregation-prone
56 G L 0.5323 Aggregation-prone
57 A L 0.0000 Buried
65 S L -0.4756 Soluble
66 S L -0.2169 Soluble
67 R L -1.0030 Soluble
68 A L -0.5372 Soluble
69 T L -0.4476 Soluble
70 G L -0.7049 Soluble
71 I L -0.7938 Soluble
72 P L -1.1556 Soluble
74 D L -2.1037 Soluble
75 R L -1.9573 Soluble
76 F L 0.0000 Buried
77 S L -0.8309 Soluble
78 G L -0.3977 Soluble
79 S L -0.5690 Soluble
80 G L -0.9892 Soluble
83 S L -0.9726 Soluble
84 G L -1.1342 Soluble
85 T L -1.7357 Soluble
86 D L -2.1836 Soluble
87 F L 0.0000 Buried
88 T L -0.7903 Soluble
89 L L 0.0000 Buried
90 T L -0.7882 Soluble
91 I L 0.0000 Buried
92 S L -2.4110 Soluble
93 R L -3.4306 Soluble
94 L L 0.0000 Buried
95 E L -2.4364 Soluble
96 P L -1.4229 Soluble
97 E L -2.2451 Soluble
98 D L 0.0000 Buried
99 F L -0.6488 Soluble
100 A L 0.0000 Buried
101 V L -0.8909 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 -1.7726 Soluble
114 T L -0.8986 Soluble
115 S L -0.6410 Soluble
116 L L 0.0000 Buried
117 T L 0.1554 Aggregation-prone
118 F L 0.2765 Aggregation-prone
119 G L 0.0000 Buried
120 G L -0.6862 Soluble
121 G L -1.0139 Soluble
122 T L 0.0000 Buried
123 K L -1.7796 Soluble
124 V L -0.3811 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 -0.5944 5.2898 CSV PDB
4.5 -0.628 5.2041 CSV PDB
5.0 -0.6683 5.0831 CSV PDB
5.5 -0.7076 5.0085 CSV PDB
6.0 -0.7383 4.9448 CSV PDB
6.5 -0.7551 4.8946 CSV PDB
7.0 -0.7567 4.8647 CSV PDB
7.5 -0.7472 4.8514 CSV PDB
8.0 -0.7312 4.8465 CSV PDB
8.5 -0.7103 4.8447 CSV PDB
9.0 -0.6842 4.8437 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH