Sotrovimab / 7yr0

A4DAB245_7yr0_C_B | Source PDB: 7yr0 | Chains: C, B | Done
99.57
Yes
10 Å
Yes
Avg A4D Score
-0.7462
Max Score
1.8238
Min Score
-3.6081
Total Score
-172.37
Score CDR
-0.2149
Score non-CDR
-0.9083

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGYPFTSYGISWVRQAPGQGLEWMGWISTYNGNTNYAQKFQGRVTMTTDTSTTTGYMELRRLRSDDTAVYYCARDYTRGAWFGESLIGGFDNWGQGTLVEIVLTQSPGTLSLSPGERATLSCRASQTVSSTSLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQHDTSLTFGGGTKVEIKR input.pdb
Selected Chain(s) C (Heavy), B (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 -3.6081
Maximum Score 1.8238
Average Score -0.7462
Total Score -172.3692

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

Index Residue Chain A4D Score Classification
1 Q C -1.2787 Soluble
2 V C -0.6835 Soluble
3 Q C -1.5046 Soluble
4 L C -0.9829 Soluble
5 V C -0.7038 Soluble
6 Q C -0.7431 Soluble
7 S C -0.9416 Soluble
8 G C -0.7181 Soluble
9 A C 0.0513 Aggregation-prone
11 E C -0.4439 Soluble
12 V C 0.7945 Aggregation-prone
13 K C -1.1831 Soluble
14 K C -2.1687 Soluble
15 P C -2.8117 Soluble
16 G C -2.1390 Soluble
17 A C -1.6907 Soluble
18 S C -2.1172 Soluble
19 V C 0.0000 Buried
20 K C -2.3306 Soluble
21 V C 0.0000 Buried
22 S C -0.8408 Soluble
23 C C 0.0000 Buried
24 K C -1.5509 Soluble
25 A C 0.0000 Buried
26 S C -0.9683 Soluble
27 G C -0.8471 Soluble
28 Y C -0.4182 Soluble
29 P C -0.3262 Soluble
30 F C 0.0000 Buried
35 T C 0.2128 Aggregation-prone
36 S C 0.3869 Aggregation-prone
37 Y C 0.4962 Aggregation-prone
38 G C 0.0000 Buried
39 I C 0.0000 Buried
40 S C 0.0000 Buried
41 W C 0.0000 Buried
42 V C 0.0000 Buried
43 R C -0.3403 Soluble
44 Q C -0.5630 Soluble
45 A C -0.7081 Soluble
46 P C -0.8694 Soluble
47 G C -1.2046 Soluble
48 Q C -1.7413 Soluble
49 G C -1.1145 Soluble
50 L C 0.0000 Buried
51 E C -0.9254 Soluble
52 W C -0.5291 Soluble
53 M C 0.0000 Buried
54 G C 0.0000 Buried
55 W C 0.0000 Buried
56 I C 0.0000 Buried
57 S C 0.0000 Buried
58 T C -0.1117 Soluble
59 Y C 0.8947 Aggregation-prone
62 N C -0.8187 Soluble
63 G C -1.4536 Soluble
64 N C -1.6460 Soluble
65 T C -1.0481 Soluble
66 N C -0.9081 Soluble
67 Y C -1.0093 Soluble
68 A C -1.4930 Soluble
69 Q C -2.5662 Soluble
70 K C -2.6801 Soluble
71 F C -1.8166 Soluble
72 Q C -2.5121 Soluble
74 G C -1.7351 Soluble
75 R C -2.0811 Soluble
76 V C 0.0000 Buried
77 T C -0.6975 Soluble
78 M C 0.0000 Buried
79 T C -0.4874 Soluble
80 T C -0.6574 Soluble
81 D C -1.3944 Soluble
82 T C -0.6271 Soluble
83 S C -0.6437 Soluble
84 T C -0.7912 Soluble
85 T C -0.9291 Soluble
86 T C 0.0000 Buried
87 G C 0.0000 Buried
88 Y C -0.7541 Soluble
89 M C 0.0000 Buried
90 E C -1.8263 Soluble
91 L C 0.0000 Buried
92 R C -2.5172 Soluble
93 R C -2.8860 Soluble
94 L C -2.9471 Soluble
95 R C -3.6081 Soluble
96 S C -2.6894 Soluble
97 D C -2.7032 Soluble
98 D C -1.9995 Soluble
99 T C -0.7609 Soluble
100 A C 0.0000 Buried
101 V C 0.4160 Aggregation-prone
102 Y C 0.0000 Buried
103 Y C 0.0000 Buried
104 C C 0.0000 Buried
105 A C 0.0000 Buried
106 R C -0.1388 Soluble
107 D C 0.0000 Buried
108 Y C 0.7541 Aggregation-prone
109 T C 0.0000 Buried
110 R C -0.3635 Soluble
111 G C 0.3498 Aggregation-prone
111A A C 0.0000 Buried
111B W C 1.6829 Aggregation-prone
111C F C 1.8238 Aggregation-prone
112D G C -0.1122 Soluble
112C E C -1.3885 Soluble
112B S C -0.7781 Soluble
112A L C 0.4393 Aggregation-prone
112 I C 1.4344 Aggregation-prone
113 G C 0.0000 Buried
114 G C 0.0000 Buried
115 F C 0.0000 Buried
116 D C -0.8162 Soluble
117 N C -0.7378 Soluble
118 W C -0.6729 Soluble
119 G C 0.0000 Buried
120 Q C -1.4281 Soluble
121 G C 0.0000 Buried
122 T C 0.0000 Buried
123 L C 1.2595 Aggregation-prone
124 V C 0.6300 Aggregation-prone
1 E B -1.4393 Soluble
2 I B -0.2153 Soluble
3 V B 1.0991 Aggregation-prone
4 L B 0.0000 Buried
5 T B -0.4407 Soluble
6 Q B -0.8166 Soluble
7 S B -0.7244 Soluble
8 P B -0.7020 Soluble
9 G B -1.0151 Soluble
10 T B -0.8727 Soluble
11 L B -0.5067 Soluble
12 S B -0.8850 Soluble
13 L B 0.0000 Buried
14 S B -1.4848 Soluble
15 P B -2.0574 Soluble
16 G B -2.6746 Soluble
17 E B -3.1560 Soluble
18 R B -3.0982 Soluble
19 A B 0.0000 Buried
20 T B -0.6779 Soluble
21 L B 0.0000 Buried
22 S B -0.7983 Soluble
23 C B 0.0000 Buried
24 R B -1.6206 Soluble
25 A B 0.0000 Buried
26 S B -0.6770 Soluble
27 Q B -1.3411 Soluble
28 T B -1.2099 Soluble
29 V B 0.0000 Buried
30 S B -0.6507 Soluble
36 S B -0.7566 Soluble
37 T B -0.0441 Soluble
38 S B -0.0186 Soluble
39 L B 0.0000 Buried
40 A B 0.0000 Buried
41 W B 0.0000 Buried
42 Y B 0.0000 Buried
43 Q B 0.0000 Buried
44 Q B -1.0917 Soluble
45 K B -1.5152 Soluble
46 P B -1.0958 Soluble
47 G B -1.3486 Soluble
48 Q B -2.0521 Soluble
49 A B -1.4149 Soluble
50 P B 0.0000 Buried
51 R B -1.5146 Soluble
52 L B -0.8270 Soluble
53 L B 0.0000 Buried
54 I B 0.0000 Buried
55 Y B 0.1305 Aggregation-prone
56 G B 0.0000 Buried
57 A B -0.4257 Soluble
65 S B -0.6677 Soluble
66 S B -0.9913 Soluble
67 R B -1.9543 Soluble
68 A B -1.1654 Soluble
69 T B -1.0057 Soluble
70 G B -1.1685 Soluble
71 I B 0.0000 Buried
72 P B -1.6034 Soluble
74 D B -2.5206 Soluble
75 R B -2.2941 Soluble
76 F B -1.0453 Soluble
77 S B -0.9073 Soluble
78 G B -0.4714 Soluble
79 S B -0.6327 Soluble
80 G B -1.0552 Soluble
83 S B -0.9638 Soluble
84 G B -1.1791 Soluble
85 T B -1.5181 Soluble
86 D B -2.1696 Soluble
87 F B 0.0000 Buried
88 T B -0.7088 Soluble
89 L B 0.0000 Buried
90 T B -0.6253 Soluble
91 I B 0.0000 Buried
92 S B -2.8270 Soluble
93 R B -3.5963 Soluble
94 L B 0.0000 Buried
95 E B -2.9338 Soluble
96 P B -1.8855 Soluble
97 E B -2.3567 Soluble
98 D B -1.5564 Soluble
99 F B -0.7392 Soluble
100 A B 0.0000 Buried
101 V B -0.4607 Soluble
102 Y B 0.0000 Buried
103 Y B 0.0000 Buried
104 C B 0.0000 Buried
105 Q B 0.0000 Buried
106 Q B 0.0000 Buried
107 H B -0.4753 Soluble
108 D B -1.4566 Soluble
114 T B -0.9031 Soluble
115 S B -1.0330 Soluble
116 L B 0.0000 Buried
117 T B -0.0942 Soluble
118 F B 0.2291 Aggregation-prone
119 G B 0.0000 Buried
120 G B -0.6520 Soluble
121 G B -0.9509 Soluble
122 T B 0.0000 Buried
123 K B -1.7170 Soluble
124 V B 0.0000 Buried
125 E B -0.8214 Soluble
126 I B -0.4419 Soluble
127 K B -1.8670 Soluble
128 R B -2.2455 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 -0.7023 5.3671 CSV PDB
4.5 -0.7487 5.2866 CSV PDB
5.0 -0.8038 5.1766 CSV PDB
5.5 -0.8583 5.0555 CSV PDB
6.0 -0.9028 4.942 CSV PDB
6.5 -0.9297 4.8956 CSV PDB
7.0 -0.9377 4.871 CSV PDB
7.5 -0.9325 4.8604 CSV PDB
8.0 -0.9195 4.8566 CSV PDB
8.5 -0.9004 4.855 CSV PDB
9.0 -0.875 4.8536 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH