Sotrovimab / 6wps

A4DAB245_6wps_H_L | Source PDB: 6wps | Chains: H, L | Done
99.57
Yes
10 Å
Yes
Avg A4D Score
-0.6341
Max Score
1.7195
Min Score
-3.7608
Total Score
-142.68
Score CDR
-0.1051
Score non-CDR
-0.8012

Calculation Parameters

Chain Sequence(s) VQLVQSGAEVKKPGASVKVSCKASGYPFTSYGISWVRQAPGQGLEWMGWISTYNGNTNYAQKFQGRVTMTTDTSTTTGYMELRRLRSDDTAVYYCARDYTRGAWFGESLIGGFDNWGQGTLVTIVLTQGTLSLSPGERATLSCRASQTVSSTSLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQHDTSLTFGGGTKVE input.pdb
Selected Chain(s) H (Heavy), L (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 -3.7608
Maximum Score 1.7195
Average Score -0.6341
Total Score -142.679

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

Index Residue Chain A4D Score Classification
2 V H 0.8299 Aggregation-prone
3 Q H -0.5874 Soluble
4 L H 0.0000 Buried
5 V H 0.1311 Aggregation-prone
6 Q H -0.3108 Soluble
7 S H -0.7922 Soluble
8 G H -0.7403 Soluble
9 A H -0.3005 Soluble
11 E H -0.9999 Soluble
12 V H 0.4139 Aggregation-prone
13 K H -1.4180 Soluble
14 K H -2.4711 Soluble
15 P H -2.9881 Soluble
16 G H -2.6298 Soluble
17 A H -2.0726 Soluble
18 S H -2.4672 Soluble
19 V H 0.0000 Buried
20 K H -2.2770 Soluble
21 V H 0.0000 Buried
22 S H -0.7082 Soluble
23 C H 0.0000 Buried
24 K H -1.3017 Soluble
25 A H 0.0000 Buried
26 S H -0.4049 Soluble
27 G H -0.0950 Soluble
28 Y H 0.0118 Aggregation-prone
29 P H -0.3181 Soluble
30 F H 0.0000 Buried
35 T H 0.1201 Aggregation-prone
36 S H 0.3943 Aggregation-prone
37 Y H 0.4822 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 0.0000 Buried
44 Q H -0.5256 Soluble
45 A H -0.8761 Soluble
46 P H -0.7734 Soluble
47 G H -1.2203 Soluble
48 Q H -1.7426 Soluble
49 G H -1.1001 Soluble
50 L H 0.0000 Buried
51 E H -0.8098 Soluble
52 W H 0.0000 Buried
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 0.3257 Aggregation-prone
62 N H -0.9922 Soluble
63 G H -1.4832 Soluble
64 N H -1.5062 Soluble
65 T H -1.2329 Soluble
66 N H -1.2167 Soluble
67 Y H -1.0960 Soluble
68 A H -1.5040 Soluble
69 Q H -2.4855 Soluble
70 K H -2.6386 Soluble
71 F H 0.0000 Buried
72 Q H -2.1751 Soluble
74 G H -1.5731 Soluble
75 R H 0.0000 Buried
76 V H 0.0000 Buried
77 T H -0.8472 Soluble
78 M H 0.0000 Buried
79 T H -0.4672 Soluble
80 T H -0.5782 Soluble
81 D H -1.0856 Soluble
82 T H -0.5237 Soluble
83 S H -0.5500 Soluble
84 T H -0.6855 Soluble
85 T H -0.8106 Soluble
86 T H -0.8102 Soluble
87 G H 0.0000 Buried
88 Y H -0.5967 Soluble
89 M H 0.0000 Buried
90 E H -1.5682 Soluble
91 L H 0.0000 Buried
92 R H -3.3130 Soluble
93 R H -3.4997 Soluble
94 L H 0.0000 Buried
95 R H -3.7608 Soluble
96 S H -2.4738 Soluble
97 D H -2.5681 Soluble
98 D H 0.0000 Buried
99 T H -0.6609 Soluble
100 A H 0.0000 Buried
101 V H 0.4536 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 -0.1783 Soluble
107 D H 0.0000 Buried
108 Y H 0.8876 Aggregation-prone
109 T H 0.0000 Buried
110 R H 0.0152 Aggregation-prone
111 G H 0.0000 Buried
111A A H 0.0000 Buried
111B W H 1.5104 Aggregation-prone
111C F H 1.6099 Aggregation-prone
112D G H -0.2780 Soluble
112C E H -1.2606 Soluble
112B S H -0.5145 Soluble
112A L H 0.5318 Aggregation-prone
112 I H 1.7195 Aggregation-prone
113 G H 0.0000 Buried
114 G H 0.0000 Buried
115 F H 0.0000 Buried
116 D H -0.6262 Soluble
117 N H -0.6791 Soluble
118 W H -0.6827 Soluble
119 G H 0.0000 Buried
120 Q H -1.2107 Soluble
121 G H 0.0000 Buried
122 T H 0.0000 Buried
123 L H 0.5187 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.5198 Soluble
2 I L 0.9621 Aggregation-prone
3 V L 1.5130 Aggregation-prone
4 L L 0.0000 Buried
5 T L -0.5286 Soluble
6 Q L -1.0653 Soluble
7 G L -0.7538 Soluble
10 T L -0.8015 Soluble
11 L L -0.5225 Soluble
12 S L -0.8172 Soluble
13 L L -1.1959 Soluble
14 S L -1.5676 Soluble
15 P L -2.2759 Soluble
16 G L -2.5410 Soluble
17 E L -3.1382 Soluble
18 R L -3.3827 Soluble
19 A L 0.0000 Buried
20 T L -0.4758 Soluble
21 L L 0.0000 Buried
22 S L -0.8935 Soluble
23 C L 0.0000 Buried
24 R L -2.2008 Soluble
25 A L -1.0706 Soluble
26 S L -0.6561 Soluble
27 Q L -1.2533 Soluble
28 T L -1.1459 Soluble
29 V L 0.0000 Buried
30 S L -0.4181 Soluble
36 S L -0.3053 Soluble
37 T L 0.1615 Aggregation-prone
38 S L 0.0000 Buried
39 L L 0.0000 Buried
40 A L 0.0000 Buried
41 W L 0.0000 Buried
42 Y L 0.0000 Buried
43 Q L 0.0000 Buried
44 Q L 0.0000 Buried
45 K L -1.7840 Soluble
46 P L -1.1116 Soluble
47 G L -1.4338 Soluble
48 Q L -1.9496 Soluble
49 A L -1.3516 Soluble
50 P L 0.0000 Buried
51 R L -1.4273 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.1753 Aggregation-prone
56 G L 0.3004 Aggregation-prone
57 A L 0.0000 Buried
65 S L -0.6028 Soluble
66 S L -0.4362 Soluble
67 R L -1.3159 Soluble
68 A L 0.0000 Buried
69 T L -0.5485 Soluble
70 G L -0.7532 Soluble
71 I L -0.8786 Soluble
72 P L -1.2247 Soluble
74 D L -2.1642 Soluble
75 R L -1.9446 Soluble
76 F L 0.0000 Buried
77 S L -0.8419 Soluble
78 G L -0.4835 Soluble
79 S L -0.6875 Soluble
80 G L -0.9697 Soluble
83 S L -0.9284 Soluble
84 G L -1.2077 Soluble
85 T L -1.7957 Soluble
86 D L -2.4064 Soluble
87 F L 0.0000 Buried
88 T L -0.8440 Soluble
89 L L 0.0000 Buried
90 T L -0.7917 Soluble
91 I L 0.0000 Buried
92 S L -2.4176 Soluble
93 R L -3.5050 Soluble
94 L L 0.0000 Buried
95 E L -2.7062 Soluble
96 P L -1.8869 Soluble
97 E L -2.3183 Soluble
98 D L 0.0000 Buried
99 F L -1.3493 Soluble
100 A L 0.0000 Buried
101 V L -0.5571 Soluble
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 Q L 0.0000 Buried
106 Q L 0.0000 Buried
107 H L 0.0000 Buried
108 D L -0.6799 Soluble
114 T L -0.3433 Soluble
115 S L -0.4166 Soluble
116 L L 0.1997 Aggregation-prone
117 T L 0.3851 Aggregation-prone
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 G L -0.7950 Soluble
121 G L -0.7886 Soluble
122 T L 0.0000 Buried
123 K L -1.2492 Soluble
124 V L 0.0000 Buried
125 E L -1.8426 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 -0.5566 5.2351 CSV PDB
4.5 -0.5963 5.132 CSV PDB
5.0 -0.6433 5.0007 CSV PDB
5.5 -0.6899 4.8629 CSV PDB
6.0 -0.7282 4.799 CSV PDB
6.5 -0.7522 4.7574 CSV PDB
7.0 -0.7607 4.7355 CSV PDB
7.5 -0.7576 4.7266 CSV PDB
8.0 -0.7471 4.7235 CSV PDB
8.5 -0.7306 4.7224 CSV PDB
9.0 -0.708 4.7217 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH