Sotrovimab / 7yqy

A4DAB245_7yqy_J_E | Source PDB: 7yqy | Chains: J, E | Done
99.57
Yes
10 Å
Yes
Avg A4D Score
-0.7109
Max Score
2.1205
Min Score
-3.814
Total Score
-164.21
Score CDR
-0.1292
Score non-CDR
-0.8884

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGYPFTSYGISWVRQAPGQGLEWMGWISTYNGNTNYAQKFQGRVTMTTDTSTTTGYMELRRLRSDDTAVYYCARDYTRGAWFGESLIGGFDNWGQGTLVEIVLTQSPGTLSLSPGERATLSCRASQTVSSTSLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQHDTSLTFGGGTKVEIKR input.pdb
Selected Chain(s) J (Heavy), E (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 -3.814
Maximum Score 2.1205
Average Score -0.7109
Total Score -164.2148

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

Index Residue Chain A4D Score Classification
1 Q J -1.2833 Soluble
2 V J -0.7611 Soluble
3 Q J -1.2454 Soluble
4 L J 0.0000 Buried
5 V J -0.2778 Soluble
6 Q J -0.5205 Soluble
7 S J -0.6866 Soluble
8 G J -0.4672 Soluble
9 A J 0.4406 Aggregation-prone
11 E J -0.1126 Soluble
12 V J 0.7357 Aggregation-prone
13 K J -1.5662 Soluble
14 K J -2.3407 Soluble
15 P J -2.6025 Soluble
16 G J -2.3241 Soluble
17 A J -2.2649 Soluble
18 S J -2.5212 Soluble
19 V J 0.0000 Buried
20 K J -2.1843 Soluble
21 V J 0.0000 Buried
22 S J -0.5996 Soluble
23 C J 0.0000 Buried
24 K J -0.8161 Soluble
25 A J 0.0000 Buried
26 S J -0.7713 Soluble
27 G J -0.9572 Soluble
28 Y J -0.4764 Soluble
29 P J -0.1435 Soluble
30 F J 0.0707 Aggregation-prone
35 T J 0.2559 Aggregation-prone
36 S J -0.0067 Soluble
37 Y J 0.3943 Aggregation-prone
38 G J 0.0000 Buried
39 I J 0.0000 Buried
40 S J 0.0000 Buried
41 W J 0.0000 Buried
42 V J 0.0000 Buried
43 R J -0.1969 Soluble
44 Q J -0.5111 Soluble
45 A J -0.5077 Soluble
46 P J -0.8736 Soluble
47 G J -1.4612 Soluble
48 Q J -1.7552 Soluble
49 G J -1.1675 Soluble
50 L J 0.0000 Buried
51 E J -0.5318 Soluble
52 W J 0.0000 Buried
53 M J -0.3890 Soluble
54 G J 0.0000 Buried
55 W J 0.0000 Buried
56 I J 0.0000 Buried
57 S J 0.0000 Buried
58 T J 0.0000 Buried
59 Y J 0.6132 Aggregation-prone
62 N J -0.8093 Soluble
63 G J -0.8988 Soluble
64 N J -0.4110 Soluble
65 T J -0.4650 Soluble
66 N J -0.6971 Soluble
67 Y J -0.5442 Soluble
68 A J -1.3920 Soluble
69 Q J -2.4978 Soluble
70 K J -2.4325 Soluble
71 F J -1.4607 Soluble
72 Q J -2.0515 Soluble
74 G J -1.5614 Soluble
75 R J -1.7493 Soluble
76 V J 0.0000 Buried
77 T J -0.6088 Soluble
78 M J -0.2484 Soluble
79 T J -0.3950 Soluble
80 T J -0.4020 Soluble
81 D J -0.7619 Soluble
82 T J -0.3362 Soluble
83 S J -0.5231 Soluble
84 T J -0.5517 Soluble
85 T J -0.5708 Soluble
86 T J 0.0000 Buried
87 G J 0.0000 Buried
88 Y J -0.4783 Soluble
89 M J 0.0000 Buried
90 E J -1.5283 Soluble
91 L J 0.0000 Buried
92 R J -3.3845 Soluble
93 R J -3.3421 Soluble
94 L J -3.1754 Soluble
95 R J -3.2881 Soluble
96 S J -2.4289 Soluble
97 D J -2.3696 Soluble
98 D J 0.0000 Buried
99 T J -0.3623 Soluble
100 A J 0.2379 Aggregation-prone
101 V J 0.6604 Aggregation-prone
102 Y J 0.0000 Buried
103 Y J 0.0000 Buried
104 C J 0.0000 Buried
105 A J 0.0000 Buried
106 R J -0.2948 Soluble
107 D J 0.0000 Buried
108 Y J 0.8808 Aggregation-prone
109 T J 0.0000 Buried
110 R J 0.0000 Buried
111 G J 0.3183 Aggregation-prone
111A A J 0.6102 Aggregation-prone
111B W J 1.6751 Aggregation-prone
111C F J 1.8476 Aggregation-prone
112D G J 0.1431 Aggregation-prone
112C E J -1.1771 Soluble
112B S J -0.4820 Soluble
112A L J 0.8225 Aggregation-prone
112 I J 2.1205 Aggregation-prone
113 G J 0.0000 Buried
114 G J 0.0000 Buried
115 F J 0.0000 Buried
116 D J -0.6504 Soluble
117 N J -0.8200 Soluble
118 W J 0.0000 Buried
119 G J 0.0000 Buried
120 Q J -1.1726 Soluble
121 G J -0.3710 Soluble
122 T J 0.0000 Buried
123 L J 1.6236 Aggregation-prone
124 V J 1.0200 Aggregation-prone
1 E E -1.4991 Soluble
2 I E -0.0225 Soluble
3 V E 1.1683 Aggregation-prone
4 L E 0.0000 Buried
5 T E -0.3375 Soluble
6 Q E -0.8095 Soluble
7 S E -0.8271 Soluble
8 P E -0.7530 Soluble
9 G E -0.9873 Soluble
10 T E -0.9255 Soluble
11 L E 0.0000 Buried
12 S E -1.1548 Soluble
13 L E -1.4798 Soluble
14 S E -2.1323 Soluble
15 P E -2.5013 Soluble
16 G E -3.0114 Soluble
17 E E -3.4629 Soluble
18 R E -3.3469 Soluble
19 A E 0.0000 Buried
20 T E -0.7581 Soluble
21 L E 0.0000 Buried
22 S E -0.8823 Soluble
23 C E 0.0000 Buried
24 R E -2.1600 Soluble
25 A E -0.9825 Soluble
26 S E -0.8165 Soluble
27 Q E -1.2756 Soluble
28 T E -1.2532 Soluble
29 V E 0.0000 Buried
30 S E -0.7620 Soluble
36 S E -0.8511 Soluble
37 T E -0.0269 Soluble
38 S E 0.0000 Buried
39 L E 0.0000 Buried
40 A E 0.0000 Buried
41 W E 0.0000 Buried
42 Y E 0.0000 Buried
43 Q E 0.0000 Buried
44 Q E -1.3239 Soluble
45 K E -2.0421 Soluble
46 P E -1.4764 Soluble
47 G E -1.4419 Soluble
48 Q E -2.1155 Soluble
49 A E -1.4457 Soluble
50 P E 0.0000 Buried
51 R E -1.0914 Soluble
52 L E 0.0000 Buried
53 L E 0.0000 Buried
54 I E 0.0000 Buried
55 Y E 0.2795 Aggregation-prone
56 G E 0.0148 Aggregation-prone
57 A E -0.4888 Soluble
65 S E -0.7146 Soluble
66 S E -1.0413 Soluble
67 R E -2.0067 Soluble
68 A E -1.1811 Soluble
69 T E -0.9802 Soluble
70 G E -1.2504 Soluble
71 I E 0.0000 Buried
72 P E -1.5622 Soluble
74 D E -2.3628 Soluble
75 R E -2.0387 Soluble
76 F E -0.8579 Soluble
77 S E -0.8350 Soluble
78 G E -0.3476 Soluble
79 S E -0.6989 Soluble
80 G E -1.0248 Soluble
83 S E -0.9449 Soluble
84 G E -1.0659 Soluble
85 T E -1.4451 Soluble
86 D E -1.8910 Soluble
87 F E 0.0000 Buried
88 T E -0.7694 Soluble
89 L E 0.0000 Buried
90 T E -0.5457 Soluble
91 I E 0.0000 Buried
92 S E -2.8635 Soluble
93 R E -3.8140 Soluble
94 L E 0.0000 Buried
95 E E -2.9755 Soluble
96 P E -2.0645 Soluble
97 E E -2.3733 Soluble
98 D E -1.5253 Soluble
99 F E -1.0150 Soluble
100 A E 0.0000 Buried
101 V E 0.0000 Buried
102 Y E 0.0000 Buried
103 Y E 0.0000 Buried
104 C E 0.0000 Buried
105 Q E 0.0000 Buried
106 Q E 0.0000 Buried
107 H E -0.5184 Soluble
108 D E -1.2900 Soluble
114 T E -0.9634 Soluble
115 S E -1.0083 Soluble
116 L E 0.0000 Buried
117 T E 0.0024 Aggregation-prone
118 F E 0.0000 Buried
119 G E 0.0000 Buried
120 G E -0.7555 Soluble
121 G E -1.1862 Soluble
122 T E 0.0000 Buried
123 K E -2.2003 Soluble
124 V E 0.0000 Buried
125 E E -1.7994 Soluble
126 I E -1.4721 Soluble
127 K E -2.6471 Soluble
128 R E -2.6523 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
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
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 -0.6708 5.5211 CSV PDB
4.5 -0.7156 5.4339 CSV PDB
5.0 -0.7667 5.3677 CSV PDB
5.5 -0.8142 5.2958 CSV PDB
6.0 -0.8487 5.2294 CSV PDB
6.5 -0.8646 5.1795 CSV PDB
7.0 -0.8628 5.1516 CSV PDB
7.5 -0.8493 5.1398 CSV PDB
8.0 -0.829 5.1356 CSV PDB
8.5 -0.8035 5.1341 CSV PDB
9.0 -0.7726 5.1333 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH