Sotrovimab / 7tm0

A4DAB245_7tm0_J_K | Source PDB: 7tm0 | Chains: J, K | Done
99.57
Yes
10 Å
Yes
Avg A4D Score
-0.6794
Max Score
2.2835
Min Score
-3.6911
Total Score
-154.23
Score CDR
-0.1652
Score non-CDR
-0.8399

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGYPFTSYGISWVRQAPGQGLEWMGWISTYNGNTNYAQKFQGRVTMTTDTSTTTGYMELRRLRSDDTAVYYCARDYTRGAWFGESLIGGFDNWGQGTLVTVSIVLTQSPGTLPGERATLSCRASQTVSSTSLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQHDTSLTFGGGTKVE input.pdb
Selected Chain(s) J (Heavy), K (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 -3.6911
Maximum Score 2.2835
Average Score -0.6794
Total Score -154.2295

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

Index Residue Chain A4D Score Classification
1 Q J -1.4030 Soluble
2 V J -0.9703 Soluble
3 Q J -1.1094 Soluble
4 L J 0.0000 Buried
5 V J 0.7916 Aggregation-prone
6 Q J 0.0000 Buried
7 S J -0.4722 Soluble
8 G J -0.5086 Soluble
9 A J 0.0678 Aggregation-prone
11 E J -0.1867 Soluble
12 V J 0.8796 Aggregation-prone
13 K J -0.9655 Soluble
14 K J -2.3176 Soluble
15 P J -2.6695 Soluble
16 G J -2.2031 Soluble
17 A J -1.6720 Soluble
18 S J -2.1624 Soluble
19 V J 0.0000 Buried
20 K J -2.0359 Soluble
21 V J 0.0000 Buried
22 S J -0.3879 Soluble
23 C J 0.0000 Buried
24 K J -0.5590 Soluble
25 A J 0.0000 Buried
26 S J -0.6800 Soluble
27 G J -0.9550 Soluble
28 Y J -0.4457 Soluble
29 P J -0.2599 Soluble
30 F J 0.0000 Buried
35 T J 0.2275 Aggregation-prone
36 S J 0.3748 Aggregation-prone
37 Y J 0.5660 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 0.0000 Buried
44 Q J -0.8140 Soluble
45 A J -1.0782 Soluble
46 P J -0.8555 Soluble
47 G J -1.2187 Soluble
48 Q J -1.8651 Soluble
49 G J -1.2687 Soluble
50 L J 0.0000 Buried
51 E J -1.6500 Soluble
52 W J 0.0000 Buried
53 M J 0.0000 Buried
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 0.3564 Aggregation-prone
62 N J -0.9968 Soluble
63 G J -1.4057 Soluble
64 N J -1.6598 Soluble
65 T J -1.3734 Soluble
66 N J -1.4870 Soluble
67 Y J -1.3461 Soluble
68 A J 0.0000 Buried
69 Q J -2.7089 Soluble
70 K J -2.9386 Soluble
71 F J -2.3382 Soluble
72 Q J -2.7870 Soluble
74 G J -2.4958 Soluble
75 R J -3.1967 Soluble
76 V J 0.0000 Buried
77 T J -0.9813 Soluble
78 M J 0.0000 Buried
79 T J -0.4654 Soluble
80 T J -0.5707 Soluble
81 D J -1.0576 Soluble
82 T J -0.5372 Soluble
83 S J -0.5711 Soluble
84 T J -0.6370 Soluble
85 T J -0.6907 Soluble
86 T J 0.0000 Buried
87 G J 0.0000 Buried
88 Y J -0.4624 Soluble
89 M J 0.0000 Buried
90 E J -1.5257 Soluble
91 L J 0.0000 Buried
92 R J -2.8372 Soluble
93 R J -3.4065 Soluble
94 L J 0.0000 Buried
95 R J -3.6756 Soluble
96 S J -2.5025 Soluble
97 D J -2.6959 Soluble
98 D J -2.0346 Soluble
99 T J -0.8836 Soluble
100 A J 0.0000 Buried
101 V J 0.3074 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 0.0000 Buried
107 D J 0.0000 Buried
108 Y J 0.9704 Aggregation-prone
109 T J 0.0000 Buried
110 R J 0.0633 Aggregation-prone
111 G J 0.3809 Aggregation-prone
111A A J 0.0000 Buried
111B W J 1.4727 Aggregation-prone
111C F J 1.5145 Aggregation-prone
112D G J -0.5004 Soluble
112C E J -1.3108 Soluble
112B S J -0.5288 Soluble
112A L J 0.8576 Aggregation-prone
112 I J 2.2835 Aggregation-prone
113 G J 0.0000 Buried
114 G J 0.0000 Buried
115 F J 0.0000 Buried
116 D J -1.0720 Soluble
117 N J -1.0679 Soluble
118 W J -0.8511 Soluble
119 G J 0.0000 Buried
120 Q J -1.1628 Soluble
121 G J 0.0000 Buried
122 T J 0.0000 Buried
123 L J 0.4792 Aggregation-prone
124 V J 0.0000 Buried
125 T J -0.3358 Soluble
126 V J 0.0000 Buried
127 S J -1.1440 Soluble
2 I K 0.7591 Aggregation-prone
3 V K 1.3907 Aggregation-prone
4 L K 0.0000 Buried
5 T K -0.4927 Soluble
6 Q K -0.8979 Soluble
7 S K -0.8372 Soluble
8 P K -0.4753 Soluble
9 G K -0.7100 Soluble
10 T K -0.6648 Soluble
11 L K -0.2866 Soluble
15 P K -2.3153 Soluble
16 G K -2.5630 Soluble
17 E K -3.6625 Soluble
18 R K -3.6911 Soluble
19 A K 0.0000 Buried
20 T K -0.4634 Soluble
21 L K 0.0000 Buried
22 S K -1.0187 Soluble
23 C K 0.0000 Buried
24 R K -2.5840 Soluble
25 A K 0.0000 Buried
26 S K -0.7550 Soluble
27 Q K -1.4886 Soluble
28 T K -1.4210 Soluble
29 V K 0.0000 Buried
30 S K -0.7538 Soluble
36 S K -0.2565 Soluble
37 T K 0.4118 Aggregation-prone
38 S K 0.0000 Buried
39 L K 0.0000 Buried
40 A K 0.0000 Buried
41 W K 0.0000 Buried
42 Y K 0.0000 Buried
43 Q K 0.0000 Buried
44 Q K 0.0000 Buried
45 K K -1.9519 Soluble
46 P K -1.2177 Soluble
47 G K -1.5664 Soluble
48 Q K -2.2974 Soluble
49 A K -1.6434 Soluble
50 P K 0.0000 Buried
51 R K -2.3093 Soluble
52 L K 0.0000 Buried
53 L K 0.0000 Buried
54 I K 0.0000 Buried
55 Y K 0.3984 Aggregation-prone
56 G K 0.4323 Aggregation-prone
57 A K 0.0000 Buried
65 S K -0.5239 Soluble
66 S K -0.3061 Soluble
67 R K -1.1331 Soluble
68 A K -0.7942 Soluble
69 T K -0.5481 Soluble
70 G K -0.7646 Soluble
71 I K -1.0187 Soluble
72 P K -1.3363 Soluble
74 D K -2.2574 Soluble
75 R K -2.1604 Soluble
76 F K 0.0000 Buried
77 S K -0.8681 Soluble
78 G K 0.0000 Buried
79 S K -0.7169 Soluble
80 G K -1.3291 Soluble
83 S K -1.0940 Soluble
84 G K -1.3918 Soluble
85 T K -2.0737 Soluble
86 D K -2.8735 Soluble
87 F K 0.0000 Buried
88 T K -0.9314 Soluble
89 L K 0.0000 Buried
90 T K -0.8023 Soluble
91 I K 0.0000 Buried
92 S K -2.5626 Soluble
93 R K -3.6730 Soluble
94 L K 0.0000 Buried
95 E K -2.7851 Soluble
96 P K -1.7959 Soluble
97 E K -2.3251 Soluble
98 D K 0.0000 Buried
99 F K -1.0742 Soluble
100 A K 0.0000 Buried
101 V K -0.2268 Soluble
102 Y K 0.0000 Buried
103 Y K 0.0000 Buried
104 C K 0.0000 Buried
105 Q K 0.0000 Buried
106 Q K 0.0000 Buried
107 H K 0.0000 Buried
108 D K -1.3663 Soluble
114 T K -0.7823 Soluble
115 S K -0.6882 Soluble
116 L K 0.0000 Buried
117 T K 0.0233 Aggregation-prone
118 F K 0.0752 Aggregation-prone
119 G K 0.0000 Buried
120 G K -0.7817 Soluble
121 G K -0.6982 Soluble
122 T K 0.0000 Buried
123 K K -0.7032 Soluble
124 V K 0.0000 Buried
125 E K -1.6473 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 -0.5703 5.2857 CSV PDB
4.5 -0.6133 5.1829 CSV PDB
5.0 -0.6637 5.0722 CSV PDB
5.5 -0.7135 5.0048 CSV PDB
6.0 -0.755 4.9439 CSV PDB
6.5 -0.7825 4.8999 CSV PDB
7.0 -0.7954 4.8763 CSV PDB
7.5 -0.7981 4.8666 CSV PDB
8.0 -0.7946 4.8632 CSV PDB
8.5 -0.7855 4.862 CSV PDB
9.0 -0.77 4.8613 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH