Sotrovimab / 8vye

A4DAB245_8vye_R_S | Source PDB: 8vye | Chains: R, S | Done
99.57
Yes
10 Å
Yes
Avg A4D Score
-0.6926
Max Score
1.7185
Min Score
-3.5771
Total Score
-160.68
Score CDR
-0.2339
Score non-CDR
-0.8317

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGYPFTSYGISWVRQAPGQGLEWMGWISTYNGNTNYAQKFQGRVTMTTDTSTTTGYMELRRLRSDDTAVYYCARDYTRGAWFGESLIGGFDNWGQGTLVTVSEIVLTQSPGTLSLSPGERATLSCRASQTVSSTSLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQHDTSLTFGGGTKVEI input.pdb
Selected Chain(s) R (Heavy), S (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 -3.5771
Maximum Score 1.7185
Average Score -0.6926
Total Score -160.6794

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

Index Residue Chain A4D Score Classification
1 Q R -1.5193 Soluble
2 V R -1.2081 Soluble
3 Q R -1.5762 Soluble
4 L R 0.0000 Buried
5 V R 0.3465 Aggregation-prone
6 Q R -0.0766 Soluble
7 S R -0.5977 Soluble
8 G R -0.5777 Soluble
9 A R 0.0285 Aggregation-prone
11 E R -0.3811 Soluble
12 V R 0.7834 Aggregation-prone
13 K R -1.0126 Soluble
14 K R -2.2297 Soluble
15 P R -2.5091 Soluble
16 G R -2.0151 Soluble
17 A R -1.7382 Soluble
18 S R -2.0236 Soluble
19 V R 0.0000 Buried
20 K R -2.0409 Soluble
21 V R 0.0000 Buried
22 S R 0.0000 Buried
23 C R 0.0000 Buried
24 K R -0.8776 Soluble
25 A R 0.0000 Buried
26 S R -0.9131 Soluble
27 G R -1.0860 Soluble
28 Y R -0.5450 Soluble
29 P R -0.2689 Soluble
30 F R 0.0000 Buried
35 T R 0.2365 Aggregation-prone
36 S R 0.3452 Aggregation-prone
37 Y R 0.5748 Aggregation-prone
38 G R 0.0000 Buried
39 I R 0.0000 Buried
40 S R 0.0000 Buried
41 W R 0.0000 Buried
42 V R 0.0000 Buried
43 R R 0.0000 Buried
44 Q R 0.0000 Buried
45 A R -0.9654 Soluble
46 P R -0.8035 Soluble
47 G R -1.2200 Soluble
48 Q R -1.7847 Soluble
49 G R -1.1826 Soluble
50 L R 0.0000 Buried
51 E R -1.3809 Soluble
52 W R -0.5830 Soluble
53 M R 0.0000 Buried
54 G R 0.0000 Buried
55 W R 0.0000 Buried
56 I R 0.0000 Buried
57 S R 0.0000 Buried
58 T R 0.0000 Buried
59 Y R 0.3314 Aggregation-prone
62 N R -0.6150 Soluble
63 G R -1.1460 Soluble
64 N R -1.7371 Soluble
65 T R -1.3573 Soluble
66 N R -1.5135 Soluble
67 Y R -1.0313 Soluble
68 A R 0.0000 Buried
69 Q R -2.2523 Soluble
70 K R -2.5450 Soluble
71 F R -1.9329 Soluble
72 Q R -2.4671 Soluble
74 G R -2.1464 Soluble
75 R R -2.6958 Soluble
76 V R 0.0000 Buried
77 T R -0.9795 Soluble
78 M R 0.0000 Buried
79 T R -0.4430 Soluble
80 T R -0.7300 Soluble
81 D R -1.0308 Soluble
82 T R -0.5266 Soluble
83 S R -0.5135 Soluble
84 T R -0.6350 Soluble
85 T R -0.7159 Soluble
86 T R 0.0000 Buried
87 G R 0.0000 Buried
88 Y R -0.4698 Soluble
89 M R 0.0000 Buried
90 E R -1.4287 Soluble
91 L R 0.0000 Buried
92 R R -2.6318 Soluble
93 R R -3.2161 Soluble
94 L R 0.0000 Buried
95 R R -3.5717 Soluble
96 S R -2.4478 Soluble
97 D R -2.6545 Soluble
98 D R -2.0020 Soluble
99 T R -0.7472 Soluble
100 A R 0.0000 Buried
101 V R 0.5359 Aggregation-prone
102 Y R 0.0000 Buried
103 Y R 0.0000 Buried
104 C R 0.0000 Buried
105 A R 0.0000 Buried
106 R R -0.3377 Soluble
107 D R 0.0000 Buried
108 Y R 0.9409 Aggregation-prone
109 T R 0.0000 Buried
110 R R -0.1895 Soluble
111 G R 0.3056 Aggregation-prone
111A A R 0.4903 Aggregation-prone
111B W R 1.4883 Aggregation-prone
111C F R 1.5459 Aggregation-prone
112D G R -0.4867 Soluble
112C E R -1.3902 Soluble
112B S R -0.7804 Soluble
112A L R 0.3827 Aggregation-prone
112 I R 1.7185 Aggregation-prone
113 G R 0.0000 Buried
114 G R 0.0000 Buried
115 F R 0.0000 Buried
116 D R -0.8073 Soluble
117 N R -1.0511 Soluble
118 W R -0.6674 Soluble
119 G R 0.0000 Buried
120 Q R -1.2608 Soluble
121 G R -0.4616 Soluble
122 T R 0.0000 Buried
123 L R 0.7745 Aggregation-prone
124 V R 0.0000 Buried
125 T R -0.2984 Soluble
126 V R 0.0000 Buried
127 S R -1.1655 Soluble
1 E S -1.8183 Soluble
2 I S 0.0000 Buried
3 V S 0.7501 Aggregation-prone
4 L S 0.0000 Buried
5 T S -0.7034 Soluble
6 Q S -1.1999 Soluble
7 S S -0.8455 Soluble
8 P S -0.6222 Soluble
9 G S -0.9005 Soluble
10 T S -1.0589 Soluble
11 L S -0.4729 Soluble
12 S S -0.3615 Soluble
13 L S 0.0000 Buried
14 S S -0.7370 Soluble
15 P S -1.7158 Soluble
16 G S -2.3181 Soluble
17 E S -3.3284 Soluble
18 R S -3.5771 Soluble
19 A S 0.0000 Buried
20 T S -0.5222 Soluble
21 L S 0.0000 Buried
22 S S -1.0402 Soluble
23 C S 0.0000 Buried
24 R S -2.5312 Soluble
25 A S -1.3471 Soluble
26 S S -1.0742 Soluble
27 Q S -1.8890 Soluble
28 T S -1.5211 Soluble
29 V S 0.0000 Buried
30 S S -0.7355 Soluble
36 S S -0.4941 Soluble
37 T S 0.2080 Aggregation-prone
38 S S 0.0000 Buried
39 L S 0.0000 Buried
40 A S 0.0000 Buried
41 W S 0.0000 Buried
42 Y S 0.0000 Buried
43 Q S 0.0000 Buried
44 Q S -1.2546 Soluble
45 K S -2.0066 Soluble
46 P S -1.3620 Soluble
47 G S -1.5644 Soluble
48 Q S -2.1892 Soluble
49 A S -1.4224 Soluble
50 P S 0.0000 Buried
51 R S -1.2582 Soluble
52 L S 0.0000 Buried
53 L S 0.0000 Buried
54 I S 0.0000 Buried
55 Y S 0.4603 Aggregation-prone
56 G S 0.0000 Buried
57 A S 0.0000 Buried
65 S S -0.3730 Soluble
66 S S -0.4168 Soluble
67 R S -1.2665 Soluble
68 A S 0.0000 Buried
69 T S -0.5397 Soluble
70 G S -0.7596 Soluble
71 I S -0.9007 Soluble
72 P S -1.2928 Soluble
74 D S -2.2249 Soluble
75 R S -2.0727 Soluble
76 F S 0.0000 Buried
77 S S -0.9059 Soluble
78 G S -0.4761 Soluble
79 S S -0.7702 Soluble
80 G S -1.3081 Soluble
83 S S -1.2637 Soluble
84 G S -1.4338 Soluble
85 T S -2.0996 Soluble
86 D S -2.9095 Soluble
87 F S 0.0000 Buried
88 T S -0.9148 Soluble
89 L S 0.0000 Buried
90 T S -0.7916 Soluble
91 I S 0.0000 Buried
92 S S -2.4430 Soluble
93 R S -3.5251 Soluble
94 L S 0.0000 Buried
95 E S -2.7231 Soluble
96 P S -1.5986 Soluble
97 E S -2.3648 Soluble
98 D S 0.0000 Buried
99 F S -1.1859 Soluble
100 A S 0.0000 Buried
101 V S -0.8444 Soluble
102 Y S 0.0000 Buried
103 Y S 0.0000 Buried
104 C S 0.0000 Buried
105 Q S 0.0000 Buried
106 Q S 0.0000 Buried
107 H S 0.0000 Buried
108 D S -1.7060 Soluble
114 T S -1.3555 Soluble
115 S S -1.0615 Soluble
116 L S 0.0000 Buried
117 T S -0.2674 Soluble
118 F S 0.1580 Aggregation-prone
119 G S 0.0000 Buried
120 G S -0.7055 Soluble
121 G S -0.8380 Soluble
122 T S 0.0000 Buried
123 K S -1.6214 Soluble
124 V S 0.0000 Buried
125 E S -1.0813 Soluble
126 I S 1.0251 Aggregation-prone

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
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
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 -0.578 5.3269 CSV PDB
4.5 -0.625 5.226 CSV PDB
5.0 -0.6802 5.1233 CSV PDB
5.5 -0.735 5.0556 CSV PDB
6.0 -0.7804 4.9942 CSV PDB
6.5 -0.8099 4.9496 CSV PDB
7.0 -0.8225 4.9256 CSV PDB
7.5 -0.8234 4.9157 CSV PDB
8.0 -0.8173 4.9122 CSV PDB
8.5 -0.8052 4.9109 CSV PDB
9.0 -0.7865 4.9099 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH