Sotrovimab / 7yqy

A4DAB245_7yqy_H_F | Source PDB: 7yqy | Chains: H, F | Done
99.57
Yes
10 Å
Yes
Avg A4D Score
-0.6729
Max Score
1.4526
Min Score
-3.4835
Total Score
-155.43
Score CDR
-0.2712
Score non-CDR
-0.7954

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGYPFTSYGISWVRQAPGQGLEWMGWISTYNGNTNYAQKFQGRVTMTTDTSTTTGYMELRRLRSDDTAVYYCARDYTRGAWFGESLIGGFDNWGQGTLVEIVLTQSPGTLSLSPGERATLSCRASQTVSSTSLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQHDTSLTFGGGTKVEIKR input.pdb
Selected Chain(s) H (Heavy), F (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 -3.4835
Maximum Score 1.4526
Average Score -0.6729
Total Score -155.43

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

Index Residue Chain A4D Score Classification
1 Q H -1.4541 Soluble
2 V H -1.1225 Soluble
3 Q H -1.5611 Soluble
4 L H 0.0000 Buried
5 V H -0.3279 Soluble
6 Q H -0.4770 Soluble
7 S H -0.8474 Soluble
8 G H -0.5670 Soluble
9 A H -0.0994 Soluble
11 E H -0.8939 Soluble
12 V H 0.6614 Aggregation-prone
13 K H -0.8057 Soluble
14 K H -1.9236 Soluble
15 P H -2.3219 Soluble
16 G H -2.2414 Soluble
17 A H -1.5393 Soluble
18 S H -1.6361 Soluble
19 V H 0.0000 Buried
20 K H -2.1643 Soluble
21 V H 0.0000 Buried
22 S H -0.5715 Soluble
23 C H 0.0000 Buried
24 K H -0.8202 Soluble
25 A H 0.0000 Buried
26 S H -0.8242 Soluble
27 G H -0.9372 Soluble
28 Y H -0.4203 Soluble
29 P H -0.2933 Soluble
30 F H 0.0000 Buried
35 T H 0.1352 Aggregation-prone
36 S H 0.4971 Aggregation-prone
37 Y H 0.5969 Aggregation-prone
38 G H 0.0000 Buried
39 I H 0.0000 Buried
40 S H 0.0000 Buried
41 W H 0.0000 Buried
42 V H 0.0000 Buried
43 R H -0.2561 Soluble
44 Q H -0.4376 Soluble
45 A H -0.6960 Soluble
46 P H -0.7920 Soluble
47 G H -1.1047 Soluble
48 Q H -1.4514 Soluble
49 G H -0.9083 Soluble
50 L H 0.0000 Buried
51 E H -0.3890 Soluble
52 W H -0.0081 Soluble
53 M H 0.0000 Buried
54 G H 0.0000 Buried
55 W H 0.0000 Buried
56 I H 0.0000 Buried
57 S H 0.0000 Buried
58 T H 0.0000 Buried
59 Y H 0.3751 Aggregation-prone
62 N H -1.2929 Soluble
63 G H -1.6020 Soluble
64 N H -1.7583 Soluble
65 T H -1.0812 Soluble
66 N H -0.8536 Soluble
67 Y H -0.9059 Soluble
68 A H 0.0000 Buried
69 Q H -2.3430 Soluble
70 K H -2.5587 Soluble
71 F H -1.6288 Soluble
72 Q H -2.1917 Soluble
74 G H -1.5268 Soluble
75 R H -1.5783 Soluble
76 V H 0.0000 Buried
77 T H -0.4501 Soluble
78 M H 0.0000 Buried
79 T H -0.2357 Soluble
80 T H -0.5197 Soluble
81 D H -0.7797 Soluble
82 T H -0.4061 Soluble
83 S H -0.4661 Soluble
84 T H -0.5089 Soluble
85 T H -0.5396 Soluble
86 T H 0.0000 Buried
87 G H 0.0000 Buried
88 Y H -0.4113 Soluble
89 M H 0.0000 Buried
90 E H -1.2579 Soluble
91 L H 0.0000 Buried
92 R H -2.3339 Soluble
93 R H -2.8924 Soluble
94 L H 0.0000 Buried
95 R H -3.4835 Soluble
96 S H -2.6264 Soluble
97 D H -2.5592 Soluble
98 D H -2.0308 Soluble
99 T H -0.6788 Soluble
100 A H 0.0000 Buried
101 V H 0.4830 Aggregation-prone
102 Y H 0.0000 Buried
103 Y H 0.0000 Buried
104 C H 0.0000 Buried
105 A H 0.0000 Buried
106 R H -0.2483 Soluble
107 D H 0.0000 Buried
108 Y H 0.9216 Aggregation-prone
109 T H 0.0000 Buried
110 R H -0.3453 Soluble
111 G H 0.2730 Aggregation-prone
111A A H 0.4253 Aggregation-prone
111B W H 1.4526 Aggregation-prone
111C F H 1.0496 Aggregation-prone
112D G H -0.7204 Soluble
112C E H -1.4562 Soluble
112B S H -0.8642 Soluble
112A L H 0.6294 Aggregation-prone
112 I H 1.1662 Aggregation-prone
113 G H 0.0000 Buried
114 G H 0.0000 Buried
115 F H 0.0000 Buried
116 D H -1.0058 Soluble
117 N H -1.0954 Soluble
118 W H 0.0000 Buried
119 G H 0.0000 Buried
120 Q H -1.4064 Soluble
121 G H -0.5294 Soluble
122 T H 0.0000 Buried
123 L H 1.3178 Aggregation-prone
124 V H 0.6565 Aggregation-prone
1 E F -1.2780 Soluble
2 I F -0.0825 Soluble
3 V F 1.0424 Aggregation-prone
4 L F 0.4448 Aggregation-prone
5 T F -0.2652 Soluble
6 Q F -0.5802 Soluble
7 S F -0.7328 Soluble
8 P F -0.7917 Soluble
9 G F -0.9385 Soluble
10 T F -0.9801 Soluble
11 L F -0.7981 Soluble
12 S F -0.6397 Soluble
13 L F 0.0000 Buried
14 S F -1.3935 Soluble
15 P F -1.5476 Soluble
16 G F -2.2240 Soluble
17 E F -3.1065 Soluble
18 R F -3.1948 Soluble
19 A F 0.0000 Buried
20 T F -0.5093 Soluble
21 L F 0.0000 Buried
22 S F -0.9146 Soluble
23 C F 0.0000 Buried
24 R F -1.8682 Soluble
25 A F 0.0000 Buried
26 S F -0.6427 Soluble
27 Q F -1.2421 Soluble
28 T F -1.1707 Soluble
29 V F -0.9933 Soluble
30 S F -0.6817 Soluble
36 S F -0.6270 Soluble
37 T F -0.0553 Soluble
38 S F 0.0000 Buried
39 L F 0.1391 Aggregation-prone
40 A F 0.0000 Buried
41 W F 0.0000 Buried
42 Y F 0.0000 Buried
43 Q F 0.0000 Buried
44 Q F -1.3641 Soluble
45 K F -2.2083 Soluble
46 P F -1.5661 Soluble
47 G F -1.4750 Soluble
48 Q F -2.1723 Soluble
49 A F -1.5871 Soluble
50 P F 0.0000 Buried
51 R F -1.6857 Soluble
52 L F -0.6570 Soluble
53 L F 0.0000 Buried
54 I F 0.0000 Buried
55 Y F 0.4792 Aggregation-prone
56 G F 0.1486 Aggregation-prone
57 A F -0.1524 Soluble
65 S F -0.4372 Soluble
66 S F -0.4365 Soluble
67 R F -0.9382 Soluble
68 A F -0.5320 Soluble
69 T F -0.5538 Soluble
70 G F -0.9116 Soluble
71 I F -0.9988 Soluble
72 P F -1.4607 Soluble
74 D F -2.5771 Soluble
75 R F -2.3644 Soluble
76 F F 0.0000 Buried
77 S F -0.7626 Soluble
78 G F 0.0000 Buried
79 S F -0.7817 Soluble
80 G F -1.5022 Soluble
83 S F -1.3188 Soluble
84 G F -1.3609 Soluble
85 T F -1.7662 Soluble
86 D F -2.6897 Soluble
87 F F 0.0000 Buried
88 T F -0.9119 Soluble
89 L F 0.0000 Buried
90 T F -0.6252 Soluble
91 I F 0.0000 Buried
92 S F -2.7790 Soluble
93 R F -3.4170 Soluble
94 L F 0.0000 Buried
95 E F -1.8809 Soluble
96 P F -1.2841 Soluble
97 E F -1.9412 Soluble
98 D F 0.0000 Buried
99 F F -0.9942 Soluble
100 A F 0.0000 Buried
101 V F 0.0000 Buried
102 Y F 0.0000 Buried
103 Y F 0.0000 Buried
104 C F 0.0000 Buried
105 Q F 0.0000 Buried
106 Q F 0.0000 Buried
107 H F -0.7095 Soluble
108 D F -1.6094 Soluble
114 T F -0.8787 Soluble
115 S F -0.6643 Soluble
116 L F 0.0284 Aggregation-prone
117 T F 0.0000 Buried
118 F F 0.3711 Aggregation-prone
119 G F -0.0367 Soluble
120 G F -0.6247 Soluble
121 G F -1.0577 Soluble
122 T F 0.0000 Buried
123 K F -2.1181 Soluble
124 V F -1.2557 Soluble
125 E F -1.7130 Soluble
126 I F -0.1162 Soluble
127 K F -1.5302 Soluble
128 R F -1.9929 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 -0.5685 4.6697 CSV PDB
4.5 -0.6135 4.6353 CSV PDB
5.0 -0.6672 4.5851 CSV PDB
5.5 -0.7201 4.5275 CSV PDB
6.0 -0.7636 4.4713 CSV PDB
6.5 -0.7914 4.4258 CSV PDB
7.0 -0.8024 4.3976 CSV PDB
7.5 -0.8015 4.3847 CSV PDB
8.0 -0.7936 4.3799 CSV PDB
8.5 -0.7802 4.3781 CSV PDB
9.0 -0.7604 4.3769 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH