Sotrovimab / 7yad

A4DAB245_7yad_C_D | Source PDB: 7yad | Chains: C, D | Done
99.57
Yes
10 Å
Yes
Avg A4D Score
-0.7176
Max Score
1.6823
Min Score
-3.7167
Total Score
-167.91
Score CDR
-0.1998
Score non-CDR
-0.8729

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGYPFTSYGISWVRQAPGQGLEWMGWISTYNGNTNYAQKFQGRVTMTTDTSTTTGYMELRRLRSDDTAVYYCARDYTRGAWFGESLIGGFDNWGQGTLVTVSEIVLTQSPGTLSLSPGERATLSCRASQTVSSTSLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQHDTSLTFGGGTKVEIKR input.pdb
Selected Chain(s) C (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 -3.7167
Maximum Score 1.6823
Average Score -0.7176
Total Score -167.9101

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

Index Residue Chain A4D Score Classification
1 Q C -1.4946 Soluble
2 V C -1.1205 Soluble
3 Q C -1.6188 Soluble
4 L C 0.0000 Buried
5 V C -0.2396 Soluble
6 Q C -0.4987 Soluble
7 S C -0.7537 Soluble
8 G C -0.5532 Soluble
9 A C 0.1024 Aggregation-prone
11 E C -0.2071 Soluble
12 V C 0.8307 Aggregation-prone
13 K C -1.1580 Soluble
14 K C -2.2757 Soluble
15 P C -2.5653 Soluble
16 G C -2.3087 Soluble
17 A C -1.9396 Soluble
18 S C -2.1251 Soluble
19 V C 0.0000 Buried
20 K C -2.0556 Soluble
21 V C 0.0000 Buried
22 S C -0.7216 Soluble
23 C C 0.0000 Buried
24 K C -1.3866 Soluble
25 A C 0.0000 Buried
26 S C -1.0266 Soluble
27 G C -1.0207 Soluble
28 Y C -0.3923 Soluble
29 P C -0.1683 Soluble
30 F C 0.1645 Aggregation-prone
35 T C 0.3724 Aggregation-prone
36 S C 0.5687 Aggregation-prone
37 Y C 0.7277 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 -0.3650 Soluble
44 Q C -0.6939 Soluble
45 A C -0.9535 Soluble
46 P C -0.8721 Soluble
47 G C -1.2154 Soluble
48 Q C -1.7467 Soluble
49 G C -1.1372 Soluble
50 L C 0.0000 Buried
51 E C -0.7711 Soluble
52 W C -0.4591 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 0.0000 Buried
59 Y C 0.4157 Aggregation-prone
62 N C -0.9957 Soluble
63 G C -1.5564 Soluble
64 N C -1.7234 Soluble
65 T C -1.5608 Soluble
66 N C -1.7882 Soluble
67 Y C -1.2568 Soluble
68 A C -1.6095 Soluble
69 Q C -2.6396 Soluble
70 K C -2.7110 Soluble
71 F C 0.0000 Buried
72 Q C -2.5661 Soluble
74 G C -1.7499 Soluble
75 R C -2.0560 Soluble
76 V C 0.0000 Buried
77 T C -0.7493 Soluble
78 M C 0.0000 Buried
79 T C -0.4621 Soluble
80 T C -0.5576 Soluble
81 D C -0.9053 Soluble
82 T C -0.4492 Soluble
83 S C -0.5165 Soluble
84 T C -0.6958 Soluble
85 T C -0.8073 Soluble
86 T C 0.0000 Buried
87 G C 0.0000 Buried
88 Y C -0.5842 Soluble
89 M C 0.0000 Buried
90 E C -1.4059 Soluble
91 L C 0.0000 Buried
92 R C -2.9566 Soluble
93 R C -3.1362 Soluble
94 L C 0.0000 Buried
95 R C -3.7167 Soluble
96 S C -2.4797 Soluble
97 D C -2.5573 Soluble
98 D C 0.0000 Buried
99 T C -0.7481 Soluble
100 A C 0.0000 Buried
101 V C 0.2002 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 -0.1770 Soluble
107 D C 0.0000 Buried
108 Y C 0.9130 Aggregation-prone
109 T C 0.0000 Buried
110 R C -0.1122 Soluble
111 G C 0.0000 Buried
111A A C 0.0000 Buried
111B W C 1.4982 Aggregation-prone
111C F C 1.5004 Aggregation-prone
112D G C -0.5177 Soluble
112C E C -1.4271 Soluble
112B S C -0.6565 Soluble
112A L C 0.5337 Aggregation-prone
112 I C 1.6823 Aggregation-prone
113 G C 0.0000 Buried
114 G C 0.0000 Buried
115 F C 0.0000 Buried
116 D C -0.8425 Soluble
117 N C -0.9062 Soluble
118 W C -0.8760 Soluble
119 G C 0.0000 Buried
120 Q C -1.3527 Soluble
121 G C -0.6164 Soluble
122 T C 0.0000 Buried
123 L C 0.6509 Aggregation-prone
124 V C 0.0000 Buried
125 T C -0.3417 Soluble
126 V C 0.0000 Buried
127 S C -1.3515 Soluble
1 E D -1.6361 Soluble
2 I D 0.0000 Buried
3 V D 0.8421 Aggregation-prone
4 L D 0.0000 Buried
5 T D -0.7551 Soluble
6 Q D -1.0465 Soluble
7 S D -1.0515 Soluble
8 P D -0.7592 Soluble
9 G D -1.0718 Soluble
10 T D -1.1007 Soluble
11 L D -0.8982 Soluble
12 S D -1.3908 Soluble
13 L D -1.4868 Soluble
14 S D -2.0060 Soluble
15 P D -2.0823 Soluble
16 G D -2.2249 Soluble
17 E D -3.0431 Soluble
18 R D -3.2564 Soluble
19 A D 0.0000 Buried
20 T D -0.6144 Soluble
21 L D 0.0000 Buried
22 S D -0.9712 Soluble
23 C D 0.0000 Buried
24 R D -2.3187 Soluble
25 A D 0.0000 Buried
26 S D -1.0312 Soluble
27 Q D -1.4837 Soluble
28 T D -1.1898 Soluble
29 V D 0.0000 Buried
30 S D -0.6830 Soluble
36 S D -0.3169 Soluble
37 T D 0.1480 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 -1.1644 Soluble
45 K D -1.5195 Soluble
46 P D -1.1305 Soluble
47 G D -1.3579 Soluble
48 Q D -2.0996 Soluble
49 A D -1.4734 Soluble
50 P D 0.0000 Buried
51 R D -1.5544 Soluble
52 L D -0.7559 Soluble
53 L D 0.0000 Buried
54 I D 0.0000 Buried
55 Y D 0.2703 Aggregation-prone
56 G D 0.2235 Aggregation-prone
57 A D 0.0000 Buried
65 S D -0.5694 Soluble
66 S D -0.4212 Soluble
67 R D -1.2061 Soluble
68 A D -0.7063 Soluble
69 T D -0.5654 Soluble
70 G D -0.8327 Soluble
71 I D 0.0000 Buried
72 P D -1.3143 Soluble
74 D D -2.1580 Soluble
75 R D -1.4409 Soluble
76 F D 0.0000 Buried
77 S D -0.9095 Soluble
78 G D -0.4670 Soluble
79 S D -0.7343 Soluble
80 G D -1.0251 Soluble
83 S D -1.0470 Soluble
84 G D -1.1044 Soluble
85 T D -1.8452 Soluble
86 D D -2.6253 Soluble
87 F D 0.0000 Buried
88 T D -0.9322 Soluble
89 L D 0.0000 Buried
90 T D -0.6756 Soluble
91 I D 0.0000 Buried
92 S D -2.0255 Soluble
93 R D -2.9412 Soluble
94 L D 0.0000 Buried
95 E D -2.2379 Soluble
96 P D -1.3163 Soluble
97 E D -1.5031 Soluble
98 D D 0.0000 Buried
99 F D -0.9673 Soluble
100 A D -0.9682 Soluble
101 V D -0.8573 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 -1.2007 Soluble
114 T D -0.9211 Soluble
115 S D -0.8757 Soluble
116 L D -0.1967 Soluble
117 T D -0.0432 Soluble
118 F D 0.2200 Aggregation-prone
119 G D 0.0000 Buried
120 G D -0.8115 Soluble
121 G D -0.9589 Soluble
122 T D 0.0000 Buried
123 K D -1.8680 Soluble
124 V D 0.0000 Buried
125 E D -1.9387 Soluble
126 I D -1.1509 Soluble
127 K D -2.3986 Soluble
128 R D -2.5772 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
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 -0.6652 5.3014 CSV PDB
4.5 -0.7045 5.213 CSV PDB
5.0 -0.7506 5.1357 CSV PDB
5.5 -0.7949 5.0703 CSV PDB
6.0 -0.8287 5.0088 CSV PDB
6.5 -0.8456 4.9614 CSV PDB
7.0 -0.8445 4.9341 CSV PDB
7.5 -0.8307 4.9223 CSV PDB
8.0 -0.8096 4.918 CSV PDB
8.5 -0.783 4.9164 CSV PDB
9.0 -0.7516 4.9154 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH