Sotrovimab / 6wps

A4DAB245_6wps_F_G | Source PDB: 6wps | Chains: F, G | Done
99.57
Yes
10 Å
Yes
Avg A4D Score
-0.6334
Max Score
1.7251
Min Score
-3.7641
Total Score
-142.52
Score CDR
-0.1048
Score non-CDR
-0.8004

Calculation Parameters

Chain Sequence(s) VQLVQSGAEVKKPGASVKVSCKASGYPFTSYGISWVRQAPGQGLEWMGWISTYNGNTNYAQKFQGRVTMTTDTSTTTGYMELRRLRSDDTAVYYCARDYTRGAWFGESLIGGFDNWGQGTLVTIVLTQGTLSLSPGERATLSCRASQTVSSTSLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQHDTSLTFGGGTKVE input.pdb
Selected Chain(s) F (Heavy), G (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 -3.7641
Maximum Score 1.7251
Average Score -0.6334
Total Score -142.5245

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

Index Residue Chain A4D Score Classification
2 V F 0.8298 Aggregation-prone
3 Q F -0.5873 Soluble
4 L F 0.0000 Buried
5 V F 0.1316 Aggregation-prone
6 Q F -0.3091 Soluble
7 S F -0.7618 Soluble
8 G F -0.6889 Soluble
9 A F -0.1945 Soluble
11 E F -0.7655 Soluble
12 V F 0.5547 Aggregation-prone
13 K F -1.2944 Soluble
14 K F -2.4362 Soluble
15 P F -2.9825 Soluble
16 G F -2.6395 Soluble
17 A F -2.0801 Soluble
18 S F -2.5043 Soluble
19 V F 0.0000 Buried
20 K F -2.2729 Soluble
21 V F 0.0000 Buried
22 S F -0.7071 Soluble
23 C F 0.0000 Buried
24 K F -1.3005 Soluble
25 A F 0.0000 Buried
26 S F -0.4049 Soluble
27 G F -0.0950 Soluble
28 Y F 0.0118 Aggregation-prone
29 P F -0.3180 Soluble
30 F F 0.0000 Buried
35 T F 0.1187 Aggregation-prone
36 S F 0.3938 Aggregation-prone
37 Y F 0.4815 Aggregation-prone
38 G F 0.0000 Buried
39 I F 0.0000 Buried
40 S F 0.0000 Buried
41 W F 0.0000 Buried
42 V F 0.0000 Buried
43 R F 0.0000 Buried
44 Q F -0.5246 Soluble
45 A F -0.8757 Soluble
46 P F -0.7735 Soluble
47 G F -1.2203 Soluble
48 Q F -1.7421 Soluble
49 G F -1.0992 Soluble
50 L F 0.0000 Buried
51 E F -0.8059 Soluble
52 W F 0.0000 Buried
53 M F 0.0000 Buried
54 G F 0.0000 Buried
55 W F 0.0000 Buried
56 I F 0.0000 Buried
57 S F 0.0000 Buried
58 T F 0.0000 Buried
59 Y F 0.3210 Aggregation-prone
62 N F -0.9942 Soluble
63 G F -1.4847 Soluble
64 N F -1.5077 Soluble
65 T F -1.2346 Soluble
66 N F -1.2197 Soluble
67 Y F -1.0968 Soluble
68 A F -1.5036 Soluble
69 Q F -2.4856 Soluble
70 K F -2.6380 Soluble
71 F F 0.0000 Buried
72 Q F -2.1754 Soluble
74 G F -1.5880 Soluble
75 R F 0.0000 Buried
76 V F 0.0000 Buried
77 T F -0.8678 Soluble
78 M F 0.0000 Buried
79 T F -0.4679 Soluble
80 T F -0.5779 Soluble
81 D F -1.0854 Soluble
82 T F -0.5246 Soluble
83 S F -0.5500 Soluble
84 T F -0.6853 Soluble
85 T F -0.8106 Soluble
86 T F -0.8090 Soluble
87 G F 0.0000 Buried
88 Y F -0.5939 Soluble
89 M F 0.0000 Buried
90 E F -1.6051 Soluble
91 L F 0.0000 Buried
92 R F -3.4235 Soluble
93 R F -3.5528 Soluble
94 L F 0.0000 Buried
95 R F -3.7641 Soluble
96 S F -2.4631 Soluble
97 D F -2.5680 Soluble
98 D F 0.0000 Buried
99 T F -0.6523 Soluble
100 A F 0.0000 Buried
101 V F 0.4536 Aggregation-prone
102 Y F 0.0000 Buried
103 Y F 0.0000 Buried
104 C F 0.0000 Buried
105 A F 0.0000 Buried
106 R F -0.1792 Soluble
107 D F 0.0000 Buried
108 Y F 0.8903 Aggregation-prone
109 T F 0.0000 Buried
110 R F 0.0191 Aggregation-prone
111 G F 0.0000 Buried
111A A F 0.0000 Buried
111B W F 1.5093 Aggregation-prone
111C F F 1.6095 Aggregation-prone
112D G F -0.2768 Soluble
112C E F -1.2579 Soluble
112B S F -0.5091 Soluble
112A L F 0.5433 Aggregation-prone
112 I F 1.7251 Aggregation-prone
113 G F 0.0000 Buried
114 G F 0.0000 Buried
115 F F 0.0000 Buried
116 D F -0.6298 Soluble
117 N F -0.6826 Soluble
118 W F -0.6861 Soluble
119 G F 0.0000 Buried
120 Q F -1.2103 Soluble
121 G F 0.0000 Buried
122 T F 0.0000 Buried
123 L F 0.5708 Aggregation-prone
124 V F 0.0000 Buried
125 T F -0.4444 Soluble
2 I G 0.9620 Aggregation-prone
3 V G 1.5130 Aggregation-prone
4 L G 0.0000 Buried
5 T G -0.5286 Soluble
6 Q G -1.0654 Soluble
7 G G -0.7538 Soluble
10 T G -0.8014 Soluble
11 L G -0.5225 Soluble
12 S G -0.8172 Soluble
13 L G -1.1953 Soluble
14 S G -1.5888 Soluble
15 P G -2.3266 Soluble
16 G G -2.5784 Soluble
17 E G -3.1601 Soluble
18 R G -3.4003 Soluble
19 A G 0.0000 Buried
20 T G -0.4756 Soluble
21 L G 0.0000 Buried
22 S G -0.8908 Soluble
23 C G 0.0000 Buried
24 R G -2.1954 Soluble
25 A G -1.0671 Soluble
26 S G -0.6546 Soluble
27 Q G -1.2518 Soluble
28 T G -1.1437 Soluble
29 V G 0.0000 Buried
30 S G -0.4181 Soluble
36 S G -0.3054 Soluble
37 T G 0.1630 Aggregation-prone
38 S G 0.0000 Buried
39 L G 0.0000 Buried
40 A G 0.0000 Buried
41 W G 0.0000 Buried
42 Y G 0.0000 Buried
43 Q G 0.0000 Buried
44 Q G 0.0000 Buried
45 K G -1.7504 Soluble
46 P G -1.0944 Soluble
47 G G -1.4246 Soluble
48 Q G -1.9399 Soluble
49 A G -1.3483 Soluble
50 P G 0.0000 Buried
51 R G -1.4388 Soluble
52 L G 0.0000 Buried
53 L G 0.0000 Buried
54 I G 0.0000 Buried
55 Y G 0.1743 Aggregation-prone
56 G G 0.3011 Aggregation-prone
57 A G 0.0000 Buried
65 S G -0.6039 Soluble
66 S G -0.4384 Soluble
67 R G -1.3208 Soluble
68 A G 0.0000 Buried
69 T G -0.5497 Soluble
70 G G -0.7540 Soluble
71 I G -0.8835 Soluble
72 P G -1.2298 Soluble
74 D G -2.1712 Soluble
75 R G -1.9748 Soluble
76 F G 0.0000 Buried
77 S G -0.8459 Soluble
78 G G -0.4842 Soluble
79 S G -0.6856 Soluble
80 G G -0.9653 Soluble
83 S G -0.9239 Soluble
84 G G -1.2032 Soluble
85 T G -1.7884 Soluble
86 D G -2.3913 Soluble
87 F G 0.0000 Buried
88 T G -0.8407 Soluble
89 L G 0.0000 Buried
90 T G -0.7936 Soluble
91 I G 0.0000 Buried
92 S G -2.4396 Soluble
93 R G -3.5465 Soluble
94 L G 0.0000 Buried
95 E G -2.8664 Soluble
96 P G -1.9628 Soluble
97 E G -2.3680 Soluble
98 D G 0.0000 Buried
99 F G -1.3719 Soluble
100 A G 0.0000 Buried
101 V G -0.5485 Soluble
102 Y G 0.0000 Buried
103 Y G 0.0000 Buried
104 C G 0.0000 Buried
105 Q G 0.0000 Buried
106 Q G 0.0000 Buried
107 H G 0.0000 Buried
108 D G -0.6783 Soluble
114 T G -0.3433 Soluble
115 S G -0.4169 Soluble
116 L G 0.2004 Aggregation-prone
117 T G 0.3860 Aggregation-prone
118 F G 0.0000 Buried
119 G G 0.0000 Buried
120 G G -0.7946 Soluble
121 G G -0.7886 Soluble
122 T G 0.0000 Buried
123 K G -1.2454 Soluble
124 V G 0.0000 Buried
125 E G -1.8423 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
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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 -0.5594 5.2441 CSV PDB
4.5 -0.6 5.1458 CSV PDB
5.0 -0.6473 5.0167 CSV PDB
5.5 -0.6936 4.8786 CSV PDB
6.0 -0.731 4.8047 CSV PDB
6.5 -0.7539 4.7607 CSV PDB
7.0 -0.7616 4.7366 CSV PDB
7.5 -0.7581 4.7267 CSV PDB
8.0 -0.7477 4.7232 CSV PDB
8.5 -0.7313 4.7219 CSV PDB
9.0 -0.7093 4.7211 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH