Sotrovimab / 6wps

A4DAB245_6wps_C_D | Source PDB: 6wps | Chains: C, D | Done
99.57
Yes
10 Å
Yes
Avg A4D Score
-0.6331
Max Score
1.7245
Min Score
-3.7684
Total Score
-142.45
Score CDR
-0.1028
Score non-CDR
-0.8006

Calculation Parameters

Chain Sequence(s) VQLVQSGAEVKKPGASVKVSCKASGYPFTSYGISWVRQAPGQGLEWMGWISTYNGNTNYAQKFQGRVTMTTDTSTTTGYMELRRLRSDDTAVYYCARDYTRGAWFGESLIGGFDNWGQGTLVTIVLTQGTLSLSPGERATLSCRASQTVSSTSLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQHDTSLTFGGGTKVE 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 -3.7684
Maximum Score 1.7245
Average Score -0.6331
Total Score -142.4505

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

Index Residue Chain A4D Score Classification
2 V C 0.8335 Aggregation-prone
3 Q C -0.5947 Soluble
4 L C 0.0000 Buried
5 V C 0.1243 Aggregation-prone
6 Q C -0.3142 Soluble
7 S C -0.7924 Soluble
8 G C -0.7390 Soluble
9 A C -0.2963 Soluble
11 E C -0.9924 Soluble
12 V C 0.4163 Aggregation-prone
13 K C -1.4204 Soluble
14 K C -2.4745 Soluble
15 P C -2.9906 Soluble
16 G C -2.6294 Soluble
17 A C -2.0711 Soluble
18 S C -2.4610 Soluble
19 V C 0.0000 Buried
20 K C -2.2717 Soluble
21 V C 0.0000 Buried
22 S C -0.7081 Soluble
23 C C 0.0000 Buried
24 K C -1.3037 Soluble
25 A C 0.0000 Buried
26 S C -0.4059 Soluble
27 G C -0.0950 Soluble
28 Y C 0.0118 Aggregation-prone
29 P C -0.3177 Soluble
30 F C 0.0000 Buried
35 T C 0.1190 Aggregation-prone
36 S C 0.3939 Aggregation-prone
37 Y C 0.4897 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 0.0000 Buried
44 Q C -0.5246 Soluble
45 A C -0.8757 Soluble
46 P C -0.7735 Soluble
47 G C -1.2203 Soluble
48 Q C -1.7421 Soluble
49 G C -1.0992 Soluble
50 L C 0.0000 Buried
51 E C -0.8059 Soluble
52 W C 0.0000 Buried
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 0.3212 Aggregation-prone
62 N C -0.9941 Soluble
63 G C -1.4840 Soluble
64 N C -1.5068 Soluble
65 T C -1.2327 Soluble
66 N C -1.2203 Soluble
67 Y C -1.1035 Soluble
68 A C -1.5102 Soluble
69 Q C -2.4947 Soluble
70 K C -2.6457 Soluble
71 F C 0.0000 Buried
72 Q C -2.2017 Soluble
74 G C -1.5837 Soluble
75 R C 0.0000 Buried
76 V C 0.0000 Buried
77 T C -0.8461 Soluble
78 M C 0.0000 Buried
79 T C -0.4661 Soluble
80 T C -0.5786 Soluble
81 D C -1.0861 Soluble
82 T C -0.5245 Soluble
83 S C -0.5500 Soluble
84 T C -0.6853 Soluble
85 T C -0.8106 Soluble
86 T C -0.8108 Soluble
87 G C 0.0000 Buried
88 Y C -0.5953 Soluble
89 M C 0.0000 Buried
90 E C -1.5588 Soluble
91 L C 0.0000 Buried
92 R C -3.2964 Soluble
93 R C -3.4939 Soluble
94 L C 0.0000 Buried
95 R C -3.7684 Soluble
96 S C -2.4786 Soluble
97 D C -2.5713 Soluble
98 D C 0.0000 Buried
99 T C -0.6628 Soluble
100 A C 0.0000 Buried
101 V C 0.4536 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 -0.1634 Soluble
107 D C 0.0000 Buried
108 Y C 0.9009 Aggregation-prone
109 T C 0.0000 Buried
110 R C 0.0140 Aggregation-prone
111 G C 0.0000 Buried
111A A C 0.0000 Buried
111B W C 1.5094 Aggregation-prone
111C F C 1.6099 Aggregation-prone
112D G C -0.2780 Soluble
112C E C -1.2608 Soluble
112B S C -0.5136 Soluble
112A L C 0.5299 Aggregation-prone
112 I C 1.7245 Aggregation-prone
113 G C 0.0000 Buried
114 G C 0.0000 Buried
115 F C 0.0000 Buried
116 D C -0.5517 Soluble
117 N C -0.6637 Soluble
118 W C -0.6758 Soluble
119 G C 0.0000 Buried
120 Q C -1.2124 Soluble
121 G C 0.0000 Buried
122 T C 0.0000 Buried
123 L C 0.5207 Aggregation-prone
124 V C 0.0000 Buried
125 T C -0.5199 Soluble
2 I D 0.9618 Aggregation-prone
3 V D 1.5155 Aggregation-prone
4 L D 0.0000 Buried
5 T D -0.5230 Soluble
6 Q D -1.0606 Soluble
7 G D -0.7525 Soluble
10 T D -0.7997 Soluble
11 L D -0.5214 Soluble
12 S D -0.8183 Soluble
13 L D -1.2000 Soluble
14 S D -1.5696 Soluble
15 P D -2.2770 Soluble
16 G D -2.5415 Soluble
17 E D -3.1393 Soluble
18 R D -3.3836 Soluble
19 A D 0.0000 Buried
20 T D -0.4757 Soluble
21 L D 0.0000 Buried
22 S D -0.8865 Soluble
23 C D 0.0000 Buried
24 R D -2.1790 Soluble
25 A D -1.0590 Soluble
26 S D -0.6506 Soluble
27 Q D -1.2495 Soluble
28 T D -1.1417 Soluble
29 V D 0.0000 Buried
30 S D -0.4189 Soluble
36 S D -0.3047 Soluble
37 T D 0.1626 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 0.0000 Buried
45 K D -1.7835 Soluble
46 P D -1.1115 Soluble
47 G D -1.4337 Soluble
48 Q D -1.9495 Soluble
49 A D -1.3545 Soluble
50 P D 0.0000 Buried
51 R D -1.4138 Soluble
52 L D 0.0000 Buried
53 L D 0.0000 Buried
54 I D 0.0000 Buried
55 Y D 0.1877 Aggregation-prone
56 G D 0.3023 Aggregation-prone
57 A D 0.0000 Buried
65 S D -0.6034 Soluble
66 S D -0.4369 Soluble
67 R D -1.3203 Soluble
68 A D 0.0000 Buried
69 T D -0.5381 Soluble
70 G D -0.7540 Soluble
71 I D -0.8800 Soluble
72 P D -1.2258 Soluble
74 D D -2.1651 Soluble
75 R D -1.9446 Soluble
76 F D 0.0000 Buried
77 S D -0.8427 Soluble
78 G D -0.4840 Soluble
79 S D -0.6854 Soluble
80 G D -0.9653 Soluble
83 S D -0.9239 Soluble
84 G D -1.2012 Soluble
85 T D -1.7834 Soluble
86 D D -2.3853 Soluble
87 F D 0.0000 Buried
88 T D -0.8383 Soluble
89 L D 0.0000 Buried
90 T D -0.7915 Soluble
91 I D 0.0000 Buried
92 S D -2.4175 Soluble
93 R D -3.5052 Soluble
94 L D 0.0000 Buried
95 E D -2.7059 Soluble
96 P D -1.8869 Soluble
97 E D -2.3183 Soluble
98 D D 0.0000 Buried
99 F D -1.3490 Soluble
100 A D 0.0000 Buried
101 V D -0.5553 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 -0.6822 Soluble
114 T D -0.3443 Soluble
115 S D -0.4170 Soluble
116 L D 0.1997 Aggregation-prone
117 T D 0.3856 Aggregation-prone
118 F D 0.0000 Buried
119 G D 0.0000 Buried
120 G D -0.7942 Soluble
121 G D -0.7875 Soluble
122 T D 0.0000 Buried
123 K D -1.2450 Soluble
124 V D 0.0000 Buried
125 E D -1.8425 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 -0.5554 5.2384 CSV PDB
4.5 -0.5944 5.1361 CSV PDB
5.0 -0.6408 5.0052 CSV PDB
5.5 -0.6869 4.8673 CSV PDB
6.0 -0.7247 4.8 CSV PDB
6.5 -0.7481 4.758 CSV PDB
7.0 -0.7561 4.7357 CSV PDB
7.5 -0.7526 4.7267 CSV PDB
8.0 -0.7419 4.7236 CSV PDB
8.5 -0.7252 4.7224 CSV PDB
9.0 -0.7029 4.7217 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH