Sotrovimab / 7sob

A4DAB245_7sob_G_I | Source PDB: 7sob | Chains: G, I | Done
99.56
Yes
10 Å
Yes
Avg A4D Score
-0.5993
Max Score
1.7818
Min Score
-3.862
Total Score
-136.64
Score CDR
-0.1145
Score non-CDR
-0.7497

Calculation Parameters

Chain Sequence(s) VQLVQSGAEVKKPGASVKVSCKASGYPFTSYGISWVRQAPGQGLEWMGWISTYNGNTNYAQKFQGRVTMTTDTSTTTGYMELRRLRSDDTAVYYCARDYTRGAWFGESLIGGFDNWGQGTLVTVSSASVLTQSPGTLSLSPGERATLSCRASQTVSSTSLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQHDTSLTFGGGT input.pdb
Selected Chain(s) G (Heavy), I (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 -3.862
Maximum Score 1.7818
Average Score -0.5993
Total Score -136.6398

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

Index Residue Chain A4D Score Classification
2 V G 0.8903 Aggregation-prone
3 Q G -0.6130 Soluble
4 L G 0.0000 Buried
5 V G -0.4645 Soluble
6 Q G -0.5501 Soluble
7 S G -0.8419 Soluble
8 G G -0.7630 Soluble
9 A G -0.1120 Soluble
11 E G -0.4515 Soluble
12 V G 0.6876 Aggregation-prone
13 K G -1.0968 Soluble
14 K G -2.3739 Soluble
15 P G -2.6441 Soluble
16 G G -2.3841 Soluble
17 A G -1.9148 Soluble
18 S G -2.0604 Soluble
19 V G 0.0000 Buried
20 K G -2.0823 Soluble
21 V G 0.0000 Buried
22 S G -0.6664 Soluble
23 C G 0.0000 Buried
24 K G -1.0946 Soluble
25 A G 0.0000 Buried
26 S G -0.3129 Soluble
27 G G -0.0155 Soluble
28 Y G 0.0585 Aggregation-prone
29 P G -0.1119 Soluble
30 F G 0.0000 Buried
35 T G 0.2535 Aggregation-prone
36 S G 0.4110 Aggregation-prone
37 Y G 0.5501 Aggregation-prone
38 G G 0.0000 Buried
39 I G 0.0000 Buried
40 S G 0.0000 Buried
41 W G 0.0000 Buried
42 V G 0.0000 Buried
43 R G -0.3548 Soluble
44 Q G -0.6246 Soluble
45 A G 0.0000 Buried
46 P G -0.8551 Soluble
47 G G -1.2284 Soluble
48 Q G -1.7625 Soluble
49 G G -1.0518 Soluble
50 L G 0.0000 Buried
51 E G -0.5070 Soluble
52 W G -0.3252 Soluble
53 M G 0.0000 Buried
54 G G 0.0000 Buried
55 W G 0.0000 Buried
56 I G 0.0000 Buried
57 S G 0.0000 Buried
58 T G 0.0000 Buried
59 Y G 0.5694 Aggregation-prone
62 N G -0.6199 Soluble
63 G G -1.1999 Soluble
64 N G -1.5895 Soluble
65 T G -1.4717 Soluble
66 N G -1.7589 Soluble
67 Y G -1.3372 Soluble
68 A G 0.0000 Buried
69 Q G -2.5818 Soluble
70 K G -2.6813 Soluble
71 F G 0.0000 Buried
72 Q G -2.4781 Soluble
74 G G -1.8491 Soluble
75 R G -1.9973 Soluble
76 V G 0.0000 Buried
77 T G -0.8816 Soluble
78 M G 0.0000 Buried
79 T G -0.4410 Soluble
80 T G -0.5813 Soluble
81 D G -1.0227 Soluble
82 T G -0.5111 Soluble
83 S G -0.5266 Soluble
84 T G -0.6227 Soluble
85 T G -0.6712 Soluble
86 T G 0.0000 Buried
87 G G 0.0000 Buried
88 Y G -0.5256 Soluble
89 M G 0.0000 Buried
90 E G -1.3823 Soluble
91 L G 0.0000 Buried
92 R G -2.4879 Soluble
93 R G -3.1436 Soluble
94 L G 0.0000 Buried
95 R G -3.4577 Soluble
96 S G -2.3736 Soluble
97 D G -2.4869 Soluble
98 D G 0.0000 Buried
99 T G -0.7681 Soluble
100 A G 0.0000 Buried
101 V G 0.2738 Aggregation-prone
102 Y G 0.0000 Buried
103 Y G 0.0000 Buried
104 C G 0.0000 Buried
105 A G 0.0000 Buried
106 R G -0.0275 Soluble
107 D G 0.0000 Buried
108 Y G 0.9614 Aggregation-prone
109 T G 0.0000 Buried
110 R G -0.0660 Soluble
111 G G 0.0000 Buried
111A A G 0.0000 Buried
111B W G 1.5098 Aggregation-prone
111C F G 1.5019 Aggregation-prone
112D G G -0.6161 Soluble
112C E G -1.3884 Soluble
112B S G -0.6916 Soluble
112A L G 0.3932 Aggregation-prone
112 I G 1.7818 Aggregation-prone
113 G G 0.0000 Buried
114 G G 0.0000 Buried
115 F G 0.0000 Buried
116 D G -0.4290 Soluble
117 N G -0.4514 Soluble
118 W G -0.5934 Soluble
119 G G 0.0000 Buried
120 Q G -1.4569 Soluble
121 G G -0.6443 Soluble
122 T G 0.0000 Buried
123 L G 0.3626 Aggregation-prone
124 V G 0.0000 Buried
125 T G -0.3305 Soluble
126 V G 0.0000 Buried
127 S G -1.0697 Soluble
128 S G -1.1099 Soluble
129 A G -0.3436 Soluble
130 S G -0.2818 Soluble
3 V I 1.2790 Aggregation-prone
4 L I 0.0000 Buried
5 T I -0.4531 Soluble
6 Q I -0.8408 Soluble
7 S I -0.7673 Soluble
8 P I -0.5307 Soluble
9 G I -0.6536 Soluble
10 T I -0.2031 Soluble
11 L I 0.2356 Aggregation-prone
12 S I 0.0607 Aggregation-prone
13 L I -0.5322 Soluble
14 S I -1.1760 Soluble
15 P I -1.9209 Soluble
16 G I -2.6563 Soluble
17 E I -3.4505 Soluble
18 R I -3.5863 Soluble
19 A I 0.0000 Buried
20 T I -0.5175 Soluble
21 L I 0.0000 Buried
22 S I -0.7544 Soluble
23 C I 0.0000 Buried
24 R I -1.6057 Soluble
25 A I -0.8283 Soluble
26 S I -0.5933 Soluble
27 Q I -1.3019 Soluble
28 T I -1.2216 Soluble
29 V I 0.0000 Buried
30 S I -0.6505 Soluble
36 S I -0.2819 Soluble
37 T I 0.1951 Aggregation-prone
38 S I 0.0000 Buried
39 L I 0.0000 Buried
40 A I 0.0000 Buried
41 W I 0.0000 Buried
42 Y I 0.0000 Buried
43 Q I -0.6804 Soluble
44 Q I -1.0745 Soluble
45 K I -1.7660 Soluble
46 P I -1.0872 Soluble
47 G I -1.5764 Soluble
48 Q I -2.3091 Soluble
49 A I -1.6026 Soluble
50 P I 0.0000 Buried
51 R I -1.9067 Soluble
52 L I 0.0000 Buried
53 L I 0.0000 Buried
54 I I 0.0000 Buried
55 Y I 0.3270 Aggregation-prone
56 G I 0.3386 Aggregation-prone
57 A I 0.0000 Buried
65 S I -0.6159 Soluble
66 S I -0.4687 Soluble
67 R I -1.3669 Soluble
68 A I -0.7926 Soluble
69 T I -0.5309 Soluble
70 G I -0.7327 Soluble
71 I I -0.8790 Soluble
72 P I -1.2497 Soluble
74 D I -2.3678 Soluble
75 R I -2.0497 Soluble
76 F I 0.0000 Buried
77 S I -0.9251 Soluble
78 G I -0.5168 Soluble
79 S I -0.6571 Soluble
80 G I -0.9390 Soluble
83 S I -0.8935 Soluble
84 G I -1.0161 Soluble
85 T I -1.4084 Soluble
86 D I -1.7327 Soluble
87 F I 0.0000 Buried
88 T I -0.6749 Soluble
89 L I 0.0000 Buried
90 T I -0.8026 Soluble
91 I I 0.0000 Buried
92 S I -2.5268 Soluble
93 R I -3.8620 Soluble
94 L I 0.0000 Buried
95 E I -2.4625 Soluble
96 P I -1.4780 Soluble
97 E I -1.9443 Soluble
98 D I 0.0000 Buried
99 F I 0.5918 Aggregation-prone
100 A I 0.2396 Aggregation-prone
101 V I 0.5842 Aggregation-prone
102 Y I 0.0000 Buried
103 Y I 0.0000 Buried
104 C I 0.0000 Buried
105 Q I 0.0000 Buried
106 Q I 0.0000 Buried
107 H I 0.0000 Buried
108 D I -1.0696 Soluble
114 T I -0.5970 Soluble
115 S I -0.6614 Soluble
116 L I 0.0829 Aggregation-prone
117 T I 0.2855 Aggregation-prone
118 F I 0.3212 Aggregation-prone
119 G I 0.0000 Buried
120 G I -0.6795 Soluble
121 G I -0.5289 Soluble
122 T I -0.2152 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
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 -0.5312 5.3091 CSV PDB
4.5 -0.565 5.2101 CSV PDB
5.0 -0.6032 5.1193 CSV PDB
5.5 -0.639 5.051 CSV PDB
6.0 -0.666 4.9884 CSV PDB
6.5 -0.6803 4.9422 CSV PDB
7.0 -0.6822 4.9168 CSV PDB
7.5 -0.6755 4.9062 CSV PDB
8.0 -0.6636 4.9025 CSV PDB
8.5 -0.6469 4.9012 CSV PDB
9.0 -0.6252 4.9005 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH