Sotrovimab / 7sob

A4DAB245_7sob_H_J | Source PDB: 7sob | Chains: H, J | Done
99.56
Yes
10 Å
Yes
Avg A4D Score
-0.5791
Max Score
1.793
Min Score
-3.8599
Total Score
-132.04
Score CDR
-0.0945
Score non-CDR
-0.7295

Calculation Parameters

Chain Sequence(s) VQLVQSGAEVKKPGASVKVSCKASGYPFTSYGISWVRQAPGQGLEWMGWISTYNGNTNYAQKFQGRVTMTTDTSTTTGYMELRRLRSDDTAVYYCARDYTRGAWFGESLIGGFDNWGQGTLVTVSSASVLTQSPGTLSLSPGERATLSCRASQTVSSTSLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQHDTSLTFGGGT input.pdb
Selected Chain(s) H (Heavy), J (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 -3.8599
Maximum Score 1.793
Average Score -0.5791
Total Score -132.0386

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

Index Residue Chain A4D Score Classification
2 V H 0.9167 Aggregation-prone
3 Q H -0.5978 Soluble
4 L H 0.0000 Buried
5 V H -0.5141 Soluble
6 Q H -0.5891 Soluble
7 S H -0.8232 Soluble
8 G H -0.7145 Soluble
9 A H -0.0020 Soluble
11 E H -0.3966 Soluble
12 V H 0.7190 Aggregation-prone
13 K H -1.0891 Soluble
14 K H -2.3530 Soluble
15 P H -2.5982 Soluble
16 G H -2.3584 Soluble
17 A H -1.8996 Soluble
18 S H -2.0544 Soluble
19 V H 0.0000 Buried
20 K H -2.0921 Soluble
21 V H 0.0000 Buried
22 S H -0.6901 Soluble
23 C H 0.0000 Buried
24 K H -1.1253 Soluble
25 A H 0.0000 Buried
26 S H -0.3232 Soluble
27 G H -0.0152 Soluble
28 Y H 0.0605 Aggregation-prone
29 P H -0.1100 Soluble
30 F H 0.0000 Buried
35 T H 0.2561 Aggregation-prone
36 S H 0.4051 Aggregation-prone
37 Y H 0.5488 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 -0.3497 Soluble
44 Q H -0.5940 Soluble
45 A H -0.9108 Soluble
46 P H -0.8424 Soluble
47 G H -1.2129 Soluble
48 Q H -1.7286 Soluble
49 G H -0.9517 Soluble
50 L H 0.0000 Buried
51 E H -0.4854 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 0.5708 Aggregation-prone
62 N H -0.6193 Soluble
63 G H -1.2002 Soluble
64 N H -1.5943 Soluble
65 T H -1.4712 Soluble
66 N H -1.7533 Soluble
67 Y H -1.2824 Soluble
68 A H -1.5237 Soluble
69 Q H -2.5775 Soluble
70 K H -2.6833 Soluble
71 F H 0.0000 Buried
72 Q H -2.4637 Soluble
74 G H -1.8456 Soluble
75 R H -1.9991 Soluble
76 V H 0.0000 Buried
77 T H -0.8828 Soluble
78 M H 0.0000 Buried
79 T H -0.4506 Soluble
80 T H -0.5891 Soluble
81 D H -1.0273 Soluble
82 T H -0.5111 Soluble
83 S H -0.5266 Soluble
84 T H -0.6227 Soluble
85 T H -0.6711 Soluble
86 T H 0.0000 Buried
87 G H 0.0000 Buried
88 Y H -0.5536 Soluble
89 M H 0.0000 Buried
90 E H -1.3921 Soluble
91 L H 0.0000 Buried
92 R H -2.4900 Soluble
93 R H -3.1295 Soluble
94 L H 0.0000 Buried
95 R H -3.3896 Soluble
96 S H -2.3390 Soluble
97 D H -2.4632 Soluble
98 D H 0.0000 Buried
99 T H -0.7049 Soluble
100 A H 0.0000 Buried
101 V H 0.4032 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 0.0175 Aggregation-prone
107 D H 0.0000 Buried
108 Y H 0.9180 Aggregation-prone
109 T H 0.0000 Buried
110 R H -0.0039 Soluble
111 G H 0.0000 Buried
111A A H 0.0000 Buried
111B W H 1.5215 Aggregation-prone
111C F H 1.5156 Aggregation-prone
112D G H -0.5844 Soluble
112C E H -1.3482 Soluble
112B S H -0.6537 Soluble
112A L H 0.4450 Aggregation-prone
112 I H 1.7930 Aggregation-prone
113 G H 0.0000 Buried
114 G H 0.0000 Buried
115 F H 0.0000 Buried
116 D H -0.2699 Soluble
117 N H -0.2418 Soluble
118 W H -0.2813 Soluble
119 G H 0.0000 Buried
120 Q H -1.3998 Soluble
121 G H -0.5538 Soluble
122 T H 0.0000 Buried
123 L H 0.6508 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.2580 Soluble
126 V H 0.0000 Buried
127 S H -1.0608 Soluble
128 S H -1.0995 Soluble
129 A H -0.3455 Soluble
130 S H -0.2831 Soluble
3 V J 1.3336 Aggregation-prone
4 L J 0.0000 Buried
5 T J -0.4168 Soluble
6 Q J -0.8115 Soluble
7 S J -0.7457 Soluble
8 P J -0.4975 Soluble
9 G J -0.6332 Soluble
10 T J -0.1726 Soluble
11 L J 0.3342 Aggregation-prone
12 S J 0.1410 Aggregation-prone
13 L J -0.4397 Soluble
14 S J -1.1127 Soluble
15 P J -1.8616 Soluble
16 G J -2.6549 Soluble
17 E J -3.4432 Soluble
18 R J -3.5781 Soluble
19 A J 0.0000 Buried
20 T J -0.5061 Soluble
21 L J 0.0000 Buried
22 S J -0.7443 Soluble
23 C J 0.0000 Buried
24 R J -1.5902 Soluble
25 A J -0.8205 Soluble
26 S J -0.5899 Soluble
27 Q J -1.2997 Soluble
28 T J -1.2235 Soluble
29 V J 0.0000 Buried
30 S J -0.6584 Soluble
36 S J -0.2876 Soluble
37 T J 0.1972 Aggregation-prone
38 S J 0.0000 Buried
39 L J 0.0000 Buried
40 A J 0.0000 Buried
41 W J 0.0000 Buried
42 Y J 0.0000 Buried
43 Q J -0.4468 Soluble
44 Q J -0.8556 Soluble
45 K J -1.5470 Soluble
46 P J -1.0021 Soluble
47 G J -1.5557 Soluble
48 Q J -2.2167 Soluble
49 A J -1.4270 Soluble
50 P J 0.0000 Buried
51 R J -1.3335 Soluble
52 L J 0.0000 Buried
53 L J 0.0000 Buried
54 I J 0.0000 Buried
55 Y J 0.3163 Aggregation-prone
56 G J 0.3421 Aggregation-prone
57 A J 0.0000 Buried
65 S J -0.6167 Soluble
66 S J -0.4709 Soluble
67 R J -1.3662 Soluble
68 A J -0.7266 Soluble
69 T J -0.5250 Soluble
70 G J -0.7302 Soluble
71 I J -0.8192 Soluble
72 P J -1.2312 Soluble
74 D J -2.3542 Soluble
75 R J -2.0342 Soluble
76 F J 0.0000 Buried
77 S J -0.9195 Soluble
78 G J -0.5169 Soluble
79 S J -0.6558 Soluble
80 G J -0.9354 Soluble
83 S J -0.8904 Soluble
84 G J -1.0137 Soluble
85 T J -1.4015 Soluble
86 D J -1.7194 Soluble
87 F J 0.0000 Buried
88 T J -0.6704 Soluble
89 L J 0.0000 Buried
90 T J -0.7979 Soluble
91 I J 0.0000 Buried
92 S J -2.5168 Soluble
93 R J -3.8599 Soluble
94 L J 0.0000 Buried
95 E J -2.4012 Soluble
96 P J -1.3745 Soluble
97 E J -1.8119 Soluble
98 D J 0.0000 Buried
99 F J 1.0164 Aggregation-prone
100 A J 0.4675 Aggregation-prone
101 V J 0.7023 Aggregation-prone
102 Y J 0.0000 Buried
103 Y J 0.0000 Buried
104 C J 0.0000 Buried
105 Q J 0.0000 Buried
106 Q J 0.0000 Buried
107 H J 0.0000 Buried
108 D J -1.0561 Soluble
114 T J -0.5630 Soluble
115 S J -0.5876 Soluble
116 L J 0.2777 Aggregation-prone
117 T J 0.4354 Aggregation-prone
118 F J 0.5379 Aggregation-prone
119 G J 0.0000 Buried
120 G J -0.6137 Soluble
121 G J -0.4752 Soluble
122 T J -0.1926 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
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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 -0.4863 5.3333 CSV PDB
4.5 -0.5195 5.2351 CSV PDB
5.0 -0.5576 5.1402 CSV PDB
5.5 -0.5937 5.0718 CSV PDB
6.0 -0.6213 5.009 CSV PDB
6.5 -0.6365 4.9624 CSV PDB
7.0 -0.6393 4.9366 CSV PDB
7.5 -0.6333 4.9258 CSV PDB
8.0 -0.6219 4.922 CSV PDB
8.5 -0.6056 4.9207 CSV PDB
9.0 -0.5844 4.92 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH