Sotrovimab / 7yad

A4DAB245_7yad_A_B | Source PDB: 7yad | Chains: A, B | Done
99.57
Yes
10 Å
Yes
Avg A4D Score
-0.6544
Max Score
1.9317
Min Score
-3.4331
Total Score
-149.85
Score CDR
-0.1639
Score non-CDR
-0.8057

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGYPFTSYGISWVRQAPGQGLEWMGWISTYNGNTNYAQKFQGRVTMTTDTSTTTGYMELRRLRSDDTAVYYCARDYTRGAWFGESLIGGFDNWGQGTLVTEIVLTQSPGTLSLSPGERATLSCRASQTVSSTSLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQHDTSLTFGGGTKVE input.pdb
Selected Chain(s) A (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 -3.4331
Maximum Score 1.9317
Average Score -0.6544
Total Score -149.8533

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

Index Residue Chain A4D Score Classification
1 Q A -1.3924 Soluble
2 V A -0.9767 Soluble
3 Q A -1.5695 Soluble
4 L A 0.0000 Buried
5 V A -0.1693 Soluble
6 Q A -0.4369 Soluble
7 S A -0.6869 Soluble
8 G A -0.3680 Soluble
9 A A 0.1641 Aggregation-prone
11 E A -0.4021 Soluble
12 V A 0.7166 Aggregation-prone
13 K A -1.0765 Soluble
14 K A -2.1759 Soluble
15 P A -2.2773 Soluble
16 G A -2.2559 Soluble
17 A A -1.8067 Soluble
18 S A -1.9697 Soluble
19 V A 0.0000 Buried
20 K A -2.0510 Soluble
21 V A 0.0000 Buried
22 S A -0.7453 Soluble
23 C A 0.0000 Buried
24 K A -1.4523 Soluble
25 A A 0.0000 Buried
26 S A -0.9994 Soluble
27 G A -0.9554 Soluble
28 Y A -0.3995 Soluble
29 P A -0.2219 Soluble
30 F A 0.1076 Aggregation-prone
35 T A 0.3608 Aggregation-prone
36 S A 0.3976 Aggregation-prone
37 Y A 0.5283 Aggregation-prone
38 G A 0.0000 Buried
39 I A 0.0000 Buried
40 S A 0.0000 Buried
41 W A 0.0000 Buried
42 V A 0.0000 Buried
43 R A 0.0000 Buried
44 Q A -0.5215 Soluble
45 A A -0.8524 Soluble
46 P A -0.7219 Soluble
47 G A -1.2276 Soluble
48 Q A -1.7420 Soluble
49 G A -1.1362 Soluble
50 L A 0.0000 Buried
51 E A -0.5769 Soluble
52 W A -0.2748 Soluble
53 M A 0.0000 Buried
54 G A 0.0000 Buried
55 W A 0.0000 Buried
56 I A 0.0000 Buried
57 S A 0.0000 Buried
58 T A 0.0000 Buried
59 Y A 0.6783 Aggregation-prone
62 N A -0.5045 Soluble
63 G A -1.2305 Soluble
64 N A -1.4174 Soluble
65 T A -1.1003 Soluble
66 N A -1.0371 Soluble
67 Y A -1.0610 Soluble
68 A A 0.0000 Buried
69 Q A -2.5386 Soluble
70 K A -2.6942 Soluble
71 F A 0.0000 Buried
72 Q A -2.4412 Soluble
74 G A -1.6780 Soluble
75 R A -1.7441 Soluble
76 V A 0.0000 Buried
77 T A -0.7137 Soluble
78 M A 0.0000 Buried
79 T A -0.4968 Soluble
80 T A -0.5465 Soluble
81 D A -0.9917 Soluble
82 T A -0.4891 Soluble
83 S A -0.5698 Soluble
84 T A -0.7185 Soluble
85 T A -0.8684 Soluble
86 T A 0.0000 Buried
87 G A 0.0000 Buried
88 Y A -0.6707 Soluble
89 M A 0.0000 Buried
90 E A -1.3194 Soluble
91 L A 0.0000 Buried
92 R A -2.3243 Soluble
93 R A -2.7992 Soluble
94 L A -2.8380 Soluble
95 R A -3.4315 Soluble
96 S A -2.3648 Soluble
97 D A -2.5937 Soluble
98 D A -1.6723 Soluble
99 T A -0.5707 Soluble
100 A A 0.0000 Buried
101 V A 0.5285 Aggregation-prone
102 Y A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 A A 0.0000 Buried
106 R A -0.2190 Soluble
107 D A 0.0000 Buried
108 Y A 0.8536 Aggregation-prone
109 T A 0.0000 Buried
110 R A -0.3618 Soluble
111 G A 0.0000 Buried
111A A A 0.0000 Buried
111B W A 1.6239 Aggregation-prone
111C F A 1.6681 Aggregation-prone
112D G A -0.2141 Soluble
112C E A -1.3985 Soluble
112B S A -0.7179 Soluble
112A L A 0.5892 Aggregation-prone
112 I A 1.9317 Aggregation-prone
113 G A 0.0000 Buried
114 G A 0.0000 Buried
115 F A 0.0000 Buried
116 D A -0.6837 Soluble
117 N A -0.8549 Soluble
118 W A -0.7125 Soluble
119 G A 0.0000 Buried
120 Q A -1.2899 Soluble
121 G A -0.3778 Soluble
122 T A 0.0000 Buried
123 L A 1.2737 Aggregation-prone
124 V A 0.0000 Buried
125 T A -0.3586 Soluble
1 E B -1.6970 Soluble
2 I B 0.0000 Buried
3 V B 0.7209 Aggregation-prone
4 L B 0.0000 Buried
5 T B -0.5481 Soluble
6 Q B -1.0200 Soluble
7 S B -0.8824 Soluble
8 P B -0.7812 Soluble
9 G B -1.1183 Soluble
10 T B -1.2223 Soluble
11 L B -0.8364 Soluble
12 S B -0.8565 Soluble
13 L B -0.8565 Soluble
14 S B -1.2837 Soluble
15 P B -1.7057 Soluble
16 G B -2.1727 Soluble
17 E B -3.1475 Soluble
18 R B -3.3104 Soluble
19 A B 0.0000 Buried
20 T B -0.4836 Soluble
21 L B 0.0000 Buried
22 S B -0.9643 Soluble
23 C B 0.0000 Buried
24 R B -2.3422 Soluble
25 A B 0.0000 Buried
26 S B -1.0832 Soluble
27 Q B -1.5476 Soluble
28 T B -1.2749 Soluble
29 V B 0.0000 Buried
30 S B -0.6422 Soluble
36 S B -0.2801 Soluble
37 T B 0.2261 Aggregation-prone
38 S B 0.0000 Buried
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 0.0000 Buried
45 K B -1.4209 Soluble
46 P B -1.1053 Soluble
47 G B -1.3251 Soluble
48 Q B -2.0393 Soluble
49 A B -1.4219 Soluble
50 P B 0.0000 Buried
51 R B -1.4874 Soluble
52 L B -0.6945 Soluble
53 L B 0.0000 Buried
54 I B 0.0000 Buried
55 Y B 0.3657 Aggregation-prone
56 G B 0.2872 Aggregation-prone
57 A B 0.0000 Buried
65 S B -0.5700 Soluble
66 S B -0.5981 Soluble
67 R B -1.1898 Soluble
68 A B -0.6494 Soluble
69 T B -0.4895 Soluble
70 G B -0.7095 Soluble
71 I B -0.6813 Soluble
72 P B -1.2135 Soluble
74 D B -2.1609 Soluble
75 R B -1.8906 Soluble
76 F B 0.0000 Buried
77 S B -0.8614 Soluble
78 G B -0.4465 Soluble
79 S B -0.6836 Soluble
80 G B -1.0847 Soluble
83 S B -1.0015 Soluble
84 G B -1.0945 Soluble
85 T B -1.6092 Soluble
86 D B -1.9309 Soluble
87 F B 0.0000 Buried
88 T B -0.7508 Soluble
89 L B 0.0000 Buried
90 T B -0.8181 Soluble
91 I B 0.0000 Buried
92 S B -2.4408 Soluble
93 R B -3.4331 Soluble
94 L B 0.0000 Buried
95 E B -1.9207 Soluble
96 P B -1.3020 Soluble
97 E B -1.3363 Soluble
98 D B 0.0000 Buried
99 F B -1.0846 Soluble
100 A B 0.0000 Buried
101 V B 0.0000 Buried
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 0.0000 Buried
108 D B -1.3763 Soluble
114 T B -1.0696 Soluble
115 S B -0.9638 Soluble
116 L B 0.0000 Buried
117 T B -0.0997 Soluble
118 F B 0.2352 Aggregation-prone
119 G B -0.2258 Soluble
120 G B -0.6633 Soluble
121 G B -1.0248 Soluble
122 T B 0.0000 Buried
123 K B -2.0113 Soluble
124 V B 0.0000 Buried
125 E B -2.1167 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 -0.5674 5.2488 CSV PDB
4.5 -0.603 5.1691 CSV PDB
5.0 -0.6466 5.0546 CSV PDB
5.5 -0.6908 4.955 CSV PDB
6.0 -0.7275 4.8947 CSV PDB
6.5 -0.7503 4.8464 CSV PDB
7.0 -0.7578 4.8172 CSV PDB
7.5 -0.7541 4.804 CSV PDB
8.0 -0.7438 4.7991 CSV PDB
8.5 -0.7284 4.7973 CSV PDB
9.0 -0.7085 4.7963 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH