Sotrovimab / 8vye

A4DAB245_8vye_A_D | Source PDB: 8vye | Chains: A, D | Done
99.57
Yes
10 Å
Yes
Avg A4D Score
-0.6946
Max Score
1.7109
Min Score
-3.6667
Total Score
-161.15
Score CDR
-0.2361
Score non-CDR
-0.8337

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGYPFTSYGISWVRQAPGQGLEWMGWISTYNGNTNYAQKFQGRVTMTTDTSTTTGYMELRRLRSDDTAVYYCARDYTRGAWFGESLIGGFDNWGQGTLVTVSEIVLTQSPGTLSLSPGERATLSCRASQTVSSTSLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQHDTSLTFGGGTKVEI input.pdb
Selected Chain(s) A (Heavy), D (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 -3.6667
Maximum Score 1.7109
Average Score -0.6946
Total Score -161.1521

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

Index Residue Chain A4D Score Classification
1 Q A -1.5193 Soluble
2 V A -1.2078 Soluble
3 Q A -1.6090 Soluble
4 L A 0.0000 Buried
5 V A 0.1797 Aggregation-prone
6 Q A -0.1512 Soluble
7 S A -0.6628 Soluble
8 G A -0.6516 Soluble
9 A A -0.0724 Soluble
11 E A -0.4160 Soluble
12 V A 0.7570 Aggregation-prone
13 K A -0.9826 Soluble
14 K A -2.2290 Soluble
15 P A -2.5481 Soluble
16 G A -2.1392 Soluble
17 A A -1.9043 Soluble
18 S A -2.2986 Soluble
19 V A 0.0000 Buried
20 K A -2.1135 Soluble
21 V A 0.0000 Buried
22 S A 0.0000 Buried
23 C A 0.0000 Buried
24 K A -0.8715 Soluble
25 A A 0.0000 Buried
26 S A -0.9275 Soluble
27 G A -1.0861 Soluble
28 Y A -0.5402 Soluble
29 P A -0.2604 Soluble
30 F A 0.0000 Buried
35 T A 0.2981 Aggregation-prone
36 S A 0.3788 Aggregation-prone
37 Y A 0.5844 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 -0.3088 Soluble
44 Q A 0.0000 Buried
45 A A -0.8962 Soluble
46 P A -0.8266 Soluble
47 G A -1.2254 Soluble
48 Q A -1.7207 Soluble
49 G A -1.0675 Soluble
50 L A 0.0000 Buried
51 E A -0.7736 Soluble
52 W A 0.0000 Buried
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 0.4675 Aggregation-prone
62 N A -0.4677 Soluble
63 G A -1.0479 Soluble
64 N A -1.7159 Soluble
65 T A -1.4221 Soluble
66 N A -1.6633 Soluble
67 Y A -1.1877 Soluble
68 A A -1.4838 Soluble
69 Q A -2.3306 Soluble
70 K A -2.5661 Soluble
71 F A 0.0000 Buried
72 Q A -2.5709 Soluble
74 G A -2.2938 Soluble
75 R A -2.9726 Soluble
76 V A 0.0000 Buried
77 T A -1.1180 Soluble
78 M A 0.0000 Buried
79 T A -0.4300 Soluble
80 T A -0.6742 Soluble
81 D A -0.9813 Soluble
82 T A -0.4982 Soluble
83 S A -0.5145 Soluble
84 T A -0.6384 Soluble
85 T A -0.6970 Soluble
86 T A 0.0000 Buried
87 G A 0.0000 Buried
88 Y A -0.4400 Soluble
89 M A 0.0000 Buried
90 E A -1.5601 Soluble
91 L A 0.0000 Buried
92 R A -3.2946 Soluble
93 R A -3.5017 Soluble
94 L A 0.0000 Buried
95 R A -3.5768 Soluble
96 S A -2.3690 Soluble
97 D A -2.5369 Soluble
98 D A 0.0000 Buried
99 T A -0.7057 Soluble
100 A A 0.0000 Buried
101 V A 0.3765 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 -0.3421 Soluble
107 D A 0.0000 Buried
108 Y A 0.9101 Aggregation-prone
109 T A 0.0000 Buried
110 R A -0.2258 Soluble
111 G A 0.2982 Aggregation-prone
111A A A 0.0000 Buried
111B W A 1.5076 Aggregation-prone
111C F A 1.5412 Aggregation-prone
112D G A -0.5126 Soluble
112C E A -1.3947 Soluble
112B S A -0.7836 Soluble
112A L A 0.3841 Aggregation-prone
112 I A 1.7109 Aggregation-prone
113 G A 0.0000 Buried
114 G A 0.0000 Buried
115 F A 0.0000 Buried
116 D A -0.8384 Soluble
117 N A -1.0900 Soluble
118 W A -0.7187 Soluble
119 G A 0.0000 Buried
120 Q A -1.3380 Soluble
121 G A -0.5904 Soluble
122 T A 0.0000 Buried
123 L A 0.4623 Aggregation-prone
124 V A 0.0000 Buried
125 T A -0.3070 Soluble
126 V A 0.0000 Buried
127 S A -1.1398 Soluble
1 E D -1.8146 Soluble
2 I D 0.0000 Buried
3 V D 0.7504 Aggregation-prone
4 L D 0.0000 Buried
5 T D -0.7037 Soluble
6 Q D -1.1873 Soluble
7 S D -0.8336 Soluble
8 P D -0.6078 Soluble
9 G D -0.8647 Soluble
10 T D -0.9758 Soluble
11 L D -0.4136 Soluble
12 S D -0.3315 Soluble
13 L D 0.0000 Buried
14 S D -0.8367 Soluble
15 P D -1.7832 Soluble
16 G D -2.4232 Soluble
17 E D -3.5147 Soluble
18 R D -3.6667 Soluble
19 A D 0.0000 Buried
20 T D -0.5241 Soluble
21 L D 0.0000 Buried
22 S D -1.0433 Soluble
23 C D 0.0000 Buried
24 R D -2.5317 Soluble
25 A D -1.3473 Soluble
26 S D -1.0743 Soluble
27 Q D -1.8893 Soluble
28 T D -1.5214 Soluble
29 V D 0.0000 Buried
30 S D -0.7362 Soluble
36 S D -0.4953 Soluble
37 T D 0.2087 Aggregation-prone
38 S D 0.0000 Buried
39 L D 0.0000 Buried
40 A D 0.0000 Buried
41 W D 0.0000 Buried
42 Y D 0.0000 Buried
43 Q D 0.0000 Buried
44 Q D -1.3414 Soluble
45 K D -2.1781 Soluble
46 P D -1.4440 Soluble
47 G D -1.6125 Soluble
48 Q D -2.2635 Soluble
49 A D -1.4829 Soluble
50 P D 0.0000 Buried
51 R D -1.3871 Soluble
52 L D 0.0000 Buried
53 L D 0.0000 Buried
54 I D 0.0000 Buried
55 Y D 0.4593 Aggregation-prone
56 G D 0.0000 Buried
57 A D 0.0000 Buried
65 S D -0.3727 Soluble
66 S D -0.4151 Soluble
67 R D -1.2620 Soluble
68 A D 0.0000 Buried
69 T D -0.5392 Soluble
70 G D -0.7600 Soluble
71 I D -0.9149 Soluble
72 P D -1.2933 Soluble
74 D D -2.2290 Soluble
75 R D -2.0782 Soluble
76 F D 0.0000 Buried
77 S D -0.9094 Soluble
78 G D -0.4765 Soluble
79 S D -0.7709 Soluble
80 G D -1.3087 Soluble
83 S D -1.2640 Soluble
84 G D -1.4343 Soluble
85 T D -2.1004 Soluble
86 D D -2.9101 Soluble
87 F D 0.0000 Buried
88 T D -0.9156 Soluble
89 L D 0.0000 Buried
90 T D -0.7954 Soluble
91 I D 0.0000 Buried
92 S D -2.4758 Soluble
93 R D -3.5752 Soluble
94 L D 0.0000 Buried
95 E D -2.7016 Soluble
96 P D -1.5643 Soluble
97 E D -2.3679 Soluble
98 D D 0.0000 Buried
99 F D -1.1172 Soluble
100 A D 0.0000 Buried
101 V D -0.7621 Soluble
102 Y D 0.0000 Buried
103 Y D 0.0000 Buried
104 C D 0.0000 Buried
105 Q D 0.0000 Buried
106 Q D 0.0000 Buried
107 H D 0.0000 Buried
108 D D -1.7032 Soluble
114 T D -1.3535 Soluble
115 S D -1.0889 Soluble
116 L D 0.0000 Buried
117 T D -0.1519 Soluble
118 F D 0.3000 Aggregation-prone
119 G D 0.0000 Buried
120 G D -0.6270 Soluble
121 G D -0.8016 Soluble
122 T D 0.0000 Buried
123 K D -1.4498 Soluble
124 V D 0.0000 Buried
125 E D -0.9219 Soluble
126 I D 1.0640 Aggregation-prone

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
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 -0.6108 5.2726 CSV PDB
4.5 -0.6539 5.1701 CSV PDB
5.0 -0.7051 5.0625 CSV PDB
5.5 -0.756 4.9948 CSV PDB
6.0 -0.7982 4.934 CSV PDB
6.5 -0.8251 4.8902 CSV PDB
7.0 -0.8359 4.8669 CSV PDB
7.5 -0.8351 4.8574 CSV PDB
8.0 -0.8273 4.854 CSV PDB
8.5 -0.8138 4.8528 CSV PDB
9.0 -0.7941 4.8521 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH