Sotrovimab / 7yqx

A4DAB245_7yqx_I_G | Source PDB: 7yqx | Chains: I, G | Done
99.57
Yes
10 Å
Yes
Avg A4D Score
-0.7488
Max Score
1.8448
Min Score
-3.7338
Total Score
-172.98
Score CDR
-0.1957
Score non-CDR
-0.9176

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGYPFTSYGISWVRQAPGQGLEWMGWISTYNGNTNYAQKFQGRVTMTTDTSTTTGYMELRRLRSDDTAVYYCARDYTRGAWFGESLIGGFDNWGQGTLVEIVLTQSPGTLSLSPGERATLSCRASQTVSSTSLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQHDTSLTFGGGTKVEIKR input.pdb
Selected Chain(s) I (Heavy), G (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 -3.7338
Maximum Score 1.8448
Average Score -0.7488
Total Score -172.9761

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

Index Residue Chain A4D Score Classification
1 Q I -1.2376 Soluble
2 V I -0.4922 Soluble
3 Q I -1.5303 Soluble
4 L I 0.0000 Buried
5 V I -0.7276 Soluble
6 Q I -0.7323 Soluble
7 S I -0.9515 Soluble
8 G I -0.6865 Soluble
9 A I 0.0458 Aggregation-prone
11 E I -0.5133 Soluble
12 V I 0.5461 Aggregation-prone
13 K I -1.8513 Soluble
14 K I -2.6682 Soluble
15 P I -2.9408 Soluble
16 G I -2.1329 Soluble
17 A I -1.7660 Soluble
18 S I -2.4721 Soluble
19 V I 0.0000 Buried
20 K I -2.6940 Soluble
21 V I 0.0000 Buried
22 S I -0.8883 Soluble
23 C I 0.0000 Buried
24 K I -1.7625 Soluble
25 A I 0.0000 Buried
26 S I -1.0526 Soluble
27 G I -0.8997 Soluble
28 Y I -0.3958 Soluble
29 P I -0.3000 Soluble
30 F I 0.0000 Buried
35 T I 0.2860 Aggregation-prone
36 S I 0.7079 Aggregation-prone
37 Y I 0.5342 Aggregation-prone
38 G I 0.0000 Buried
39 I I 0.0000 Buried
40 S I 0.0000 Buried
41 W I 0.0000 Buried
42 V I 0.0000 Buried
43 R I -0.3852 Soluble
44 Q I -0.6010 Soluble
45 A I -0.7312 Soluble
46 P I -0.8643 Soluble
47 G I -1.2260 Soluble
48 Q I -1.7439 Soluble
49 G I -1.0882 Soluble
50 L I 0.0000 Buried
51 E I -0.6706 Soluble
52 W I -0.4096 Soluble
53 M I 0.0000 Buried
54 G I 0.0000 Buried
55 W I 0.0000 Buried
56 I I 0.0000 Buried
57 S I 0.0000 Buried
58 T I 0.0277 Aggregation-prone
59 Y I 0.9522 Aggregation-prone
62 N I -0.8787 Soluble
63 G I -1.5151 Soluble
64 N I -1.8237 Soluble
65 T I -1.1285 Soluble
66 N I -1.0432 Soluble
67 Y I -1.0546 Soluble
68 A I -1.5359 Soluble
69 Q I -2.7141 Soluble
70 K I -2.5918 Soluble
71 F I -1.6942 Soluble
72 Q I -2.3537 Soluble
74 G I -1.4825 Soluble
75 R I -1.6190 Soluble
76 V I 0.0000 Buried
77 T I -0.8079 Soluble
78 M I 0.0000 Buried
79 T I -0.4992 Soluble
80 T I -0.7931 Soluble
81 D I -1.1913 Soluble
82 T I -0.5528 Soluble
83 S I -0.5774 Soluble
84 T I -0.8257 Soluble
85 T I -0.9035 Soluble
86 T I 0.0000 Buried
87 G I 0.0000 Buried
88 Y I -0.7140 Soluble
89 M I 0.0000 Buried
90 E I -2.6142 Soluble
91 L I 0.0000 Buried
92 R I -2.7782 Soluble
93 R I -2.8934 Soluble
94 L I 0.0000 Buried
95 R I -3.7338 Soluble
96 S I -2.7292 Soluble
97 D I -2.8346 Soluble
98 D I -2.1672 Soluble
99 T I -0.8902 Soluble
100 A I 0.0000 Buried
101 V I 0.2870 Aggregation-prone
102 Y I 0.0000 Buried
103 Y I -0.1288 Soluble
104 C I 0.0000 Buried
105 A I 0.0000 Buried
106 R I -0.0915 Soluble
107 D I 0.0000 Buried
108 Y I 0.9137 Aggregation-prone
109 T I 0.0000 Buried
110 R I -0.2625 Soluble
111 G I 0.4995 Aggregation-prone
111A A I 0.0000 Buried
111B W I 1.8448 Aggregation-prone
111C F I 1.8173 Aggregation-prone
112D G I 0.0590 Aggregation-prone
112C E I -1.2269 Soluble
112B S I -0.7504 Soluble
112A L I 0.5128 Aggregation-prone
112 I I 1.3394 Aggregation-prone
113 G I 0.0000 Buried
114 G I 0.0000 Buried
115 F I 0.0000 Buried
116 D I -0.4496 Soluble
117 N I -0.4883 Soluble
118 W I 0.0000 Buried
119 G I 0.0000 Buried
120 Q I -1.5855 Soluble
121 G I -0.5759 Soluble
122 T I 0.0000 Buried
123 L I 0.8644 Aggregation-prone
124 V I -0.1816 Soluble
1 E G -1.2868 Soluble
2 I G 0.0892 Aggregation-prone
3 V G 1.3100 Aggregation-prone
4 L G 0.0000 Buried
5 T G -0.4307 Soluble
6 Q G -0.7933 Soluble
7 S G -0.8220 Soluble
8 P G 0.0000 Buried
9 G G -1.0011 Soluble
10 T G -0.8251 Soluble
11 L G -0.2647 Soluble
12 S G -0.5380 Soluble
13 L G -0.6864 Soluble
14 S G -1.2370 Soluble
15 P G -2.0597 Soluble
16 G G -2.6448 Soluble
17 E G -3.0817 Soluble
18 R G -3.0445 Soluble
19 A G 0.0000 Buried
20 T G -0.4923 Soluble
21 L G 0.0000 Buried
22 S G -0.9145 Soluble
23 C G 0.0000 Buried
24 R G -2.6418 Soluble
25 A G 0.0000 Buried
26 S G -0.8885 Soluble
27 Q G -1.4196 Soluble
28 T G -1.3534 Soluble
29 V G 0.0000 Buried
30 S G -0.8645 Soluble
36 S G -0.8605 Soluble
37 T G -0.1169 Soluble
38 S G 0.0000 Buried
39 L G 0.0000 Buried
40 A G 0.0000 Buried
41 W G 0.0000 Buried
42 Y G 0.0000 Buried
43 Q G -0.6781 Soluble
44 Q G -0.9409 Soluble
45 K G -1.4591 Soluble
46 P G -1.0878 Soluble
47 G G -1.3413 Soluble
48 Q G -1.9952 Soluble
49 A G -1.3421 Soluble
50 P G 0.0000 Buried
51 R G -1.1609 Soluble
52 L G 0.0000 Buried
53 L G 0.0000 Buried
54 I G 0.0000 Buried
55 Y G 0.4067 Aggregation-prone
56 G G 0.0326 Aggregation-prone
57 A G -0.4457 Soluble
65 S G -0.6448 Soluble
66 S G -0.9916 Soluble
67 R G -1.9992 Soluble
68 A G -1.1012 Soluble
69 T G -0.9228 Soluble
70 G G -1.2367 Soluble
71 I G 0.0000 Buried
72 P G -1.6024 Soluble
74 D G -2.4106 Soluble
75 R G -2.0920 Soluble
76 F G -1.0177 Soluble
77 S G -0.8136 Soluble
78 G G -0.5114 Soluble
79 S G -0.6914 Soluble
80 G G -1.3689 Soluble
83 S G -1.1088 Soluble
84 G G -1.0221 Soluble
85 T G -1.6281 Soluble
86 D G -2.4974 Soluble
87 F G 0.0000 Buried
88 T G -0.9737 Soluble
89 L G 0.0000 Buried
90 T G -0.5462 Soluble
91 I G 0.0000 Buried
92 S G -2.6572 Soluble
93 R G -3.5020 Soluble
94 L G -2.8022 Soluble
95 E G -2.6176 Soluble
96 P G -1.8679 Soluble
97 E G -2.2746 Soluble
98 D G -1.4686 Soluble
99 F G -0.7519 Soluble
100 A G 0.0000 Buried
101 V G -0.2940 Soluble
102 Y G 0.0000 Buried
103 Y G 0.0000 Buried
104 C G 0.0000 Buried
105 Q G 0.0000 Buried
106 Q G 0.0000 Buried
107 H G -0.7513 Soluble
108 D G -1.5977 Soluble
114 T G -0.8608 Soluble
115 S G -0.9250 Soluble
116 L G 0.0000 Buried
117 T G -0.0418 Soluble
118 F G 0.0000 Buried
119 G G -0.2029 Soluble
120 G G -0.6971 Soluble
121 G G -1.1476 Soluble
122 T G 0.0000 Buried
123 K G -1.6627 Soluble
124 V G -0.6161 Soluble
125 E G -0.7671 Soluble
126 I G -0.2580 Soluble
127 K G -1.2987 Soluble
128 R G -1.9929 Soluble

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 -0.6916 5.1904 CSV PDB
4.5 -0.7398 5.1072 CSV PDB
5.0 -0.797 5.0012 CSV PDB
5.5 -0.8534 4.9451 CSV PDB
6.0 -0.8994 4.8931 CSV PDB
6.5 -0.9265 4.8539 CSV PDB
7.0 -0.9329 4.8317 CSV PDB
7.5 -0.9245 4.8224 CSV PDB
8.0 -0.9072 4.8189 CSV PDB
8.5 -0.8831 4.8175 CSV PDB
9.0 -0.8526 4.8161 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH