Sotrovimab / 7tly

A4DAB245_7tly_A_B | Source PDB: 7tly | Chains: A, B | Done
99.57
Yes
10 Å
Yes
Avg A4D Score
-0.6534
Max Score
2.1186
Min Score
-3.858
Total Score
-148.31
Score CDR
-0.1364
Score non-CDR
-0.8147

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGYPFTSYGISWVRQAPGQGLEWMGWISTYNGNTNYAQKFQGRVTMTTDTSTTTGYMELRRLRSDDTAVYYCARDYTRGAWFGESLIGGFDNWGQGTLVTVSIVLTQSPGTLPGERATLSCRASQTVSSTSLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQHDTSLTFGGGTKVE 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 -3.858
Maximum Score 2.1186
Average Score -0.6534
Total Score -148.3129

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

Index Residue Chain A4D Score Classification
1 Q A -1.4995 Soluble
2 V A -1.1815 Soluble
3 Q A -1.7712 Soluble
4 L A 0.0000 Buried
5 V A -0.6012 Soluble
6 Q A 0.0000 Buried
7 S A -0.7694 Soluble
8 G A -0.5966 Soluble
9 A A 0.1260 Aggregation-prone
11 E A -0.2031 Soluble
12 V A 0.8446 Aggregation-prone
13 K A -1.0372 Soluble
14 K A -2.3455 Soluble
15 P A -2.6336 Soluble
16 G A -2.1918 Soluble
17 A A -1.6928 Soluble
18 S A -1.9911 Soluble
19 V A 0.0000 Buried
20 K A -1.9421 Soluble
21 V A 0.0000 Buried
22 S A -0.6758 Soluble
23 C A 0.0000 Buried
24 K A -1.7336 Soluble
25 A A 0.0000 Buried
26 S A -1.1809 Soluble
27 G A -1.0805 Soluble
28 Y A -0.5167 Soluble
29 P A -0.2909 Soluble
30 F A 0.0000 Buried
35 T A 0.2135 Aggregation-prone
36 S A 0.3563 Aggregation-prone
37 Y A 0.5324 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 -0.3694 Soluble
44 Q A -0.6342 Soluble
45 A A -0.9213 Soluble
46 P A -0.8576 Soluble
47 G A -1.2184 Soluble
48 Q A -1.7664 Soluble
49 G A -1.1231 Soluble
50 L A 0.0000 Buried
51 E A -0.8686 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 0.3535 Aggregation-prone
62 N A -0.9814 Soluble
63 G A -1.4075 Soluble
64 N A -1.5495 Soluble
65 T A -1.1626 Soluble
66 N A -1.0655 Soluble
67 Y A -1.0737 Soluble
68 A A -1.5629 Soluble
69 Q A -2.5994 Soluble
70 K A -2.7606 Soluble
71 F A 0.0000 Buried
72 Q A -2.4693 Soluble
74 G A -1.7451 Soluble
75 R A -1.9386 Soluble
76 V A 0.0000 Buried
77 T A -0.7119 Soluble
78 M A 0.0000 Buried
79 T A -0.4185 Soluble
80 T A -0.5157 Soluble
81 D A -1.0667 Soluble
82 T A -0.5051 Soluble
83 S A -0.5453 Soluble
84 T A -0.7440 Soluble
85 T A -0.8771 Soluble
86 T A 0.0000 Buried
87 G A 0.0000 Buried
88 Y A -0.4564 Soluble
89 M A 0.0000 Buried
90 E A -1.3029 Soluble
91 L A 0.0000 Buried
92 R A -2.3301 Soluble
93 R A -2.9916 Soluble
94 L A 0.0000 Buried
95 R A -3.5559 Soluble
96 S A -2.4110 Soluble
97 D A -2.5589 Soluble
98 D A 0.0000 Buried
99 T A -0.7273 Soluble
100 A A 0.0000 Buried
101 V A 0.3687 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 -0.2512 Soluble
107 D A 0.0000 Buried
108 Y A 0.9822 Aggregation-prone
109 T A 0.0000 Buried
110 R A 0.0537 Aggregation-prone
111 G A 0.4759 Aggregation-prone
111A A A 0.0000 Buried
111B W A 1.5370 Aggregation-prone
111C F A 1.6614 Aggregation-prone
112D G A -0.1933 Soluble
112C E A -1.0164 Soluble
112B S A -0.4323 Soluble
112A L A 0.8270 Aggregation-prone
112 I A 2.1186 Aggregation-prone
113 G A 0.0000 Buried
114 G A 0.0000 Buried
115 F A 0.0000 Buried
116 D A -0.8129 Soluble
117 N A -0.9869 Soluble
118 W A -0.8914 Soluble
119 G A 0.0000 Buried
120 Q A -1.4186 Soluble
121 G A -0.5276 Soluble
122 T A 0.0000 Buried
123 L A 0.6987 Aggregation-prone
124 V A 0.0000 Buried
125 T A -0.2585 Soluble
126 V A 0.0000 Buried
127 S A -1.1596 Soluble
2 I B 0.7606 Aggregation-prone
3 V B 1.3695 Aggregation-prone
4 L B 0.0000 Buried
5 T B -0.5013 Soluble
6 Q B -0.9378 Soluble
7 S B -0.8900 Soluble
8 P B -0.5369 Soluble
9 G B -0.8471 Soluble
10 T B -0.8483 Soluble
11 L B -0.2680 Soluble
15 P B -2.3617 Soluble
16 G B -2.6670 Soluble
17 E B -3.7830 Soluble
18 R B -3.8110 Soluble
19 A B 0.0000 Buried
20 T B -0.4295 Soluble
21 L B 0.0000 Buried
22 S B -0.8755 Soluble
23 C B 0.0000 Buried
24 R B -2.3675 Soluble
25 A B -1.0669 Soluble
26 S B -0.5800 Soluble
27 Q B -1.1828 Soluble
28 T B -1.2237 Soluble
29 V B 0.0000 Buried
30 S B -0.7313 Soluble
36 S B -0.3062 Soluble
37 T B 0.3478 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 -1.1734 Soluble
46 P B -0.9096 Soluble
47 G B -1.3924 Soluble
48 Q B -1.9574 Soluble
49 A B -1.2938 Soluble
50 P B 0.0000 Buried
51 R B -1.2360 Soluble
52 L B 0.0000 Buried
53 L B 0.0000 Buried
54 I B 0.0000 Buried
55 Y B 0.2363 Aggregation-prone
56 G B 0.3125 Aggregation-prone
57 A B 0.0000 Buried
65 S B -0.6371 Soluble
66 S B -0.5239 Soluble
67 R B -1.4960 Soluble
68 A B -0.8357 Soluble
69 T B -0.6157 Soluble
70 G B -0.7952 Soluble
71 I B -0.9375 Soluble
72 P B -1.2628 Soluble
74 D B -2.2324 Soluble
75 R B -2.0245 Soluble
76 F B 0.0000 Buried
77 S B -0.9477 Soluble
78 G B -0.4837 Soluble
79 S B -0.6353 Soluble
80 G B -1.0989 Soluble
83 S B -1.0786 Soluble
84 G B -1.1964 Soluble
85 T B -1.7174 Soluble
86 D B -2.1906 Soluble
87 F B 0.0000 Buried
88 T B -0.7801 Soluble
89 L B 0.0000 Buried
90 T B -0.8243 Soluble
91 I B 0.0000 Buried
92 S B -2.7159 Soluble
93 R B -3.8580 Soluble
94 L B 0.0000 Buried
95 E B -2.8196 Soluble
96 P B -1.8368 Soluble
97 E B -2.2610 Soluble
98 D B 0.0000 Buried
99 F B -1.1707 Soluble
100 A B 0.0000 Buried
101 V B -0.4452 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 0.0000 Buried
108 D B -1.2138 Soluble
114 T B -0.6742 Soluble
115 S B -0.5451 Soluble
116 L B -0.1317 Soluble
117 T B 0.1921 Aggregation-prone
118 F B 0.0000 Buried
119 G B 0.0000 Buried
120 G B -0.7150 Soluble
121 G B -0.8953 Soluble
122 T B 0.0000 Buried
123 K B -1.4231 Soluble
124 V B 0.0000 Buried
125 E B -1.8067 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
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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 -0.5946 5.2958 CSV PDB
4.5 -0.6308 5.2208 CSV PDB
5.0 -0.6742 5.1143 CSV PDB
5.5 -0.718 4.9942 CSV PDB
6.0 -0.755 4.9378 CSV PDB
6.5 -0.779 4.8942 CSV PDB
7.0 -0.788 4.868 CSV PDB
7.5 -0.7854 4.8563 CSV PDB
8.0 -0.7756 4.852 CSV PDB
8.5 -0.7596 4.8505 CSV PDB
9.0 -0.7374 4.8497 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH