Sotrovimab / 8wyj

A4DAB245_8wyj_S_T | Source PDB: 8wyj | Chains: S, T | Done
99.57
Yes
10 Å
Yes
Avg A4D Score
-0.6559
Max Score
1.7533
Min Score
-3.4698
Total Score
-151.52
Score CDR
-0.188
Score non-CDR
-0.7987

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGYPFTSYGISWVRQAPGQGLEWMGWISTYNGNTNYAQKFQGRVTMTTDTSTTTGYMELRRLRSDDTAVYYCARDYTRGAWFGESLIGGFDNWGQGTLVTVSSIVLTQSPGTLSLSPGERATLSCRASQTVSSTSLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQHDTSLTFGGGTKVE input.pdb
Selected Chain(s) S (Heavy), T (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 -3.4698
Maximum Score 1.7533
Average Score -0.6559
Total Score -151.5219

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

Index Residue Chain A4D Score Classification
1 Q S -1.6244 Soluble
2 V S -1.0157 Soluble
3 Q S -1.6097 Soluble
4 L S 0.0000 Buried
5 V S -0.3986 Soluble
6 Q S -0.6476 Soluble
7 S S -0.7098 Soluble
8 G S -0.5129 Soluble
9 A S 0.0551 Aggregation-prone
11 E S -0.5114 Soluble
12 V S 0.6273 Aggregation-prone
13 K S -0.9685 Soluble
14 K S -2.3639 Soluble
15 P S -2.4185 Soluble
16 G S -2.2636 Soluble
17 A S -1.7991 Soluble
18 S S -1.8750 Soluble
19 V S -1.1058 Soluble
20 K S -1.6371 Soluble
21 V S 0.0000 Buried
22 S S -0.6646 Soluble
23 C S 0.0000 Buried
24 K S -0.9906 Soluble
25 A S 0.0000 Buried
26 S S -0.9088 Soluble
27 G S -0.8504 Soluble
28 Y S -0.3793 Soluble
29 P S -0.1048 Soluble
30 F S 0.0000 Buried
35 T S 0.0071 Aggregation-prone
36 S S -0.0842 Soluble
37 Y S 0.0000 Buried
38 G S 0.0000 Buried
39 I S 0.0000 Buried
40 S S 0.0000 Buried
41 W S 0.0000 Buried
42 V S 0.0000 Buried
43 R S -0.7138 Soluble
44 Q S -0.6140 Soluble
45 A S -1.0015 Soluble
46 P S -0.9440 Soluble
47 G S -1.2075 Soluble
48 Q S -1.6939 Soluble
49 G S -1.0681 Soluble
50 L S 0.0000 Buried
51 E S -0.6832 Soluble
52 W S 0.0000 Buried
53 M S 0.0000 Buried
54 G S 0.0000 Buried
55 W S -0.5093 Soluble
56 I S 0.0000 Buried
57 S S -0.8497 Soluble
58 T S -0.4052 Soluble
59 Y S 0.1992 Aggregation-prone
62 N S -1.2545 Soluble
63 G S -1.5875 Soluble
64 N S -1.9568 Soluble
65 T S -1.4203 Soluble
66 N S -1.7153 Soluble
67 Y S -1.3761 Soluble
68 A S 0.0000 Buried
69 Q S -2.4585 Soluble
70 K S -2.6706 Soluble
71 F S 0.0000 Buried
72 Q S -2.4241 Soluble
74 G S -1.9810 Soluble
75 R S -2.3451 Soluble
76 V S 0.0000 Buried
77 T S -0.9608 Soluble
78 M S 0.0000 Buried
79 T S -0.5927 Soluble
80 T S -0.6657 Soluble
81 D S -1.0178 Soluble
82 T S -0.5219 Soluble
83 S S -0.6253 Soluble
84 T S -0.6878 Soluble
85 T S -0.7423 Soluble
86 T S 0.0000 Buried
87 G S 0.0000 Buried
88 Y S -0.5983 Soluble
89 M S 0.0000 Buried
90 E S -1.5925 Soluble
91 L S 0.0000 Buried
92 R S -2.6986 Soluble
93 R S -3.2472 Soluble
94 L S 0.0000 Buried
95 R S -3.3821 Soluble
96 S S -2.3010 Soluble
97 D S -2.5086 Soluble
98 D S 0.0000 Buried
99 T S -0.6286 Soluble
100 A S 0.0000 Buried
101 V S 0.6840 Aggregation-prone
102 Y S 0.0000 Buried
103 Y S 0.0000 Buried
104 C S 0.0000 Buried
105 A S 0.0000 Buried
106 R S 0.0000 Buried
107 D S 0.0000 Buried
108 Y S 0.8866 Aggregation-prone
109 T S 0.4347 Aggregation-prone
110 R S 0.4416 Aggregation-prone
111 G S 0.0786 Aggregation-prone
111A A S 0.7398 Aggregation-prone
111B W S 1.5397 Aggregation-prone
111C F S 1.2525 Aggregation-prone
112D G S 0.1888 Aggregation-prone
112C E S -1.0875 Soluble
112B S S 0.0000 Buried
112A L S 0.5797 Aggregation-prone
112 I S 1.4145 Aggregation-prone
113 G S 0.5575 Aggregation-prone
114 G S 0.0000 Buried
115 F S 0.0000 Buried
116 D S 0.0000 Buried
117 N S 0.0000 Buried
118 W S -0.3093 Soluble
119 G S -0.8397 Soluble
120 Q S -1.2541 Soluble
121 G S 0.0000 Buried
122 T S 0.0000 Buried
123 L S 1.3379 Aggregation-prone
124 V S 0.0000 Buried
125 T S -0.2171 Soluble
126 V S 0.0000 Buried
127 S S -0.7131 Soluble
128 S S -0.4293 Soluble
2 I T 1.1596 Aggregation-prone
3 V T 1.7533 Aggregation-prone
4 L T 0.3544 Aggregation-prone
5 T T -0.3102 Soluble
6 Q T 0.0000 Buried
7 S T -0.8743 Soluble
8 P T -0.6249 Soluble
9 G T -0.8368 Soluble
10 T T -0.9160 Soluble
11 L T -0.2051 Soluble
12 S T 0.0325 Aggregation-prone
13 L T 0.4834 Aggregation-prone
14 S T -0.8032 Soluble
15 P T -1.5749 Soluble
16 G T -2.2967 Soluble
17 E T -3.4698 Soluble
18 R T -3.2846 Soluble
19 A T 0.0000 Buried
20 T T -0.4590 Soluble
21 L T 0.0000 Buried
22 S T -0.9107 Soluble
23 C T 0.0000 Buried
24 R T -1.8064 Soluble
25 A T 0.0000 Buried
26 S T -0.4017 Soluble
27 Q T -1.1749 Soluble
28 T T -1.0908 Soluble
29 V T 0.0000 Buried
30 S T -0.9696 Soluble
36 S T -0.4149 Soluble
37 T T -0.5725 Soluble
38 S T 0.0000 Buried
39 L T 0.0000 Buried
40 A T 0.0000 Buried
41 W T 0.0000 Buried
42 Y T 0.0000 Buried
43 Q T 0.0000 Buried
44 Q T -1.3011 Soluble
45 K T -2.1291 Soluble
46 P T -1.2440 Soluble
47 G T -1.5233 Soluble
48 Q T -2.1029 Soluble
49 A T -1.4024 Soluble
50 P T 0.0000 Buried
51 R T -1.0381 Soluble
52 L T 0.0000 Buried
53 L T 0.0000 Buried
54 I T 0.0000 Buried
55 Y T -0.0484 Soluble
56 G T -0.3684 Soluble
57 A T 0.0000 Buried
65 S T -0.8275 Soluble
66 S T -0.9437 Soluble
67 R T -2.0807 Soluble
68 A T -0.7620 Soluble
69 T T -0.8175 Soluble
70 G T -0.8555 Soluble
71 I T -1.1073 Soluble
72 P T -1.4501 Soluble
74 D T -2.4062 Soluble
75 R T -2.0904 Soluble
76 F T 0.0000 Buried
77 S T -1.1381 Soluble
78 G T -0.6132 Soluble
79 S T -0.8694 Soluble
80 G T -1.1066 Soluble
83 S T -1.1975 Soluble
84 G T -1.2035 Soluble
85 T T -1.6471 Soluble
86 D T -2.3771 Soluble
87 F T 0.0000 Buried
88 T T -0.7786 Soluble
89 L T 0.0000 Buried
90 T T -0.6996 Soluble
91 I T 0.0000 Buried
92 S T -2.2688 Soluble
93 R T -3.3181 Soluble
94 L T 0.0000 Buried
95 E T -2.5129 Soluble
96 P T -1.9923 Soluble
97 E T -2.2159 Soluble
98 D T 0.0000 Buried
99 F T -1.3811 Soluble
100 A T 0.0000 Buried
101 V T -1.3160 Soluble
102 Y T 0.0000 Buried
103 Y T 0.0000 Buried
104 C T 0.0000 Buried
105 Q T 0.0000 Buried
106 Q T 0.0000 Buried
107 H T 0.0000 Buried
108 D T -1.6816 Soluble
114 T T -0.7985 Soluble
115 S T -0.7131 Soluble
116 L T 0.0000 Buried
117 T T 0.1201 Aggregation-prone
118 F T 0.0000 Buried
119 G T 0.0000 Buried
120 G T -0.6097 Soluble
121 G T -0.9525 Soluble
122 T T 0.0000 Buried
123 K T -2.0106 Soluble
124 V T 0.0000 Buried
125 E T -1.6068 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 -0.5674 5.0515 CSV PDB
4.5 -0.6062 5.0164 CSV PDB
5.0 -0.6521 4.9657 CSV PDB
5.5 -0.6967 4.9079 CSV PDB
6.0 -0.7328 4.852 CSV PDB
6.5 -0.755 4.807 CSV PDB
7.0 -0.7617 4.7796 CSV PDB
7.5 -0.7568 4.7672 CSV PDB
8.0 -0.7449 4.7626 CSV PDB
8.5 -0.7275 4.7611 CSV PDB
9.0 -0.7043 4.7606 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH