Teropavimab / 7ly9

A4DAB261_7ly9_E_I | Source PDB: 7ly9 | Chains: E, I | Done
99.55
Yes
10 Å
Yes
Avg A4D Score
-0.7999
Max Score
1.3979
Min Score
-4.1087
Total Score
-175.19
Score CDR
-0.7703
Score non-CDR
-0.8064

Calculation Parameters

Chain Sequence(s) QVQLLQSGAAVTKPGASVRVSCEASGYNIRDYFIHWWRQAPGQGLQWVGWINPKTGQPNNPRQFQGRVSLTRHASWDFDTYSFYMDLKALRSDDTAVYFCARQRSDYWDFDVWGSGTQVTVDIQMTQSPSSLSASVGDTVTITCQANGYLNWYQQRRGKAPKLLIYDGSKLERGVPSRFSGRRWGQEYNLTINNLQPEDIATYFCQVYEFVVPGTRLDL input.pdb
Selected Chain(s) E (Heavy), I (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 -4.1087
Maximum Score 1.3979
Average Score -0.7999
Total Score -175.187

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

Index Residue Chain A4D Score Classification
1 Q E -0.4064 Soluble
2 V E 1.1686 Aggregation-prone
3 Q E 0.4000 Aggregation-prone
4 L E 0.0000 Buried
5 L E 0.8915 Aggregation-prone
6 Q E 0.0316 Aggregation-prone
7 S E -0.6506 Soluble
8 G E -0.8130 Soluble
9 A E -0.2130 Soluble
11 A E 0.3512 Aggregation-prone
12 V E 1.3979 Aggregation-prone
13 T E 0.1557 Aggregation-prone
14 K E -1.4404 Soluble
15 P E -1.4530 Soluble
16 G E -1.5218 Soluble
17 A E -0.9470 Soluble
18 S E -1.4348 Soluble
19 V E 0.0000 Buried
20 R E -2.1603 Soluble
21 V E 0.0000 Buried
22 S E -0.5981 Soluble
23 C E 0.0000 Buried
24 E E -0.8185 Soluble
25 A E 0.0000 Buried
26 S E -0.4040 Soluble
27 G E -0.6798 Soluble
28 Y E 0.0000 Buried
29 N E -1.9791 Soluble
30 I E 0.0000 Buried
35 R E -2.1322 Soluble
36 D E -2.5630 Soluble
37 Y E -1.0123 Soluble
38 F E -0.0509 Soluble
39 I E 0.0000 Buried
40 H E 0.0000 Buried
41 W E 0.0000 Buried
42 W E 0.0000 Buried
43 R E 0.0000 Buried
44 Q E -0.7525 Soluble
45 A E -1.0959 Soluble
46 P E -1.0961 Soluble
47 G E -1.2451 Soluble
48 Q E -1.6493 Soluble
49 G E -0.7835 Soluble
50 L E 0.0000 Buried
51 Q E -0.3165 Soluble
52 W E 0.0000 Buried
53 V E 0.0000 Buried
54 G E 0.0000 Buried
55 W E -0.2200 Soluble
56 I E 0.0000 Buried
57 N E -1.3967 Soluble
58 P E 0.0000 Buried
59 K E -2.5252 Soluble
62 T E -1.6481 Soluble
63 G E -1.7577 Soluble
64 Q E -1.9147 Soluble
65 P E -1.2030 Soluble
66 N E -1.4802 Soluble
67 N E -1.5457 Soluble
68 P E -1.9825 Soluble
69 R E -3.0713 Soluble
70 Q E -2.6033 Soluble
71 F E 0.0000 Buried
72 Q E -2.6975 Soluble
74 G E -1.9004 Soluble
75 R E -1.7780 Soluble
76 V E 0.0000 Buried
77 S E -0.8929 Soluble
78 L E 0.0000 Buried
79 T E -0.7465 Soluble
80 R E -1.4363 Soluble
81 H E -1.1853 Soluble
82 A E -0.5532 Soluble
83 S E -0.1131 Soluble
84 W E 0.5023 Aggregation-prone
85 D E -0.5135 Soluble
85A F E 0.6595 Aggregation-prone
85B D E -0.7616 Soluble
85C T E -0.8157 Soluble
85D Y E 0.0000 Buried
86 S E 0.0000 Buried
87 F E 0.0000 Buried
88 Y E -0.6518 Soluble
89 M E 0.0000 Buried
90 D E -1.3700 Soluble
91 L E 0.0000 Buried
92 K E -2.2338 Soluble
93 A E -1.4721 Soluble
94 L E -1.7885 Soluble
95 R E -2.5213 Soluble
96 S E -1.6750 Soluble
97 D E -2.1939 Soluble
98 D E 0.0000 Buried
99 T E -0.6859 Soluble
100 A E 0.0000 Buried
101 V E -0.6759 Soluble
102 Y E 0.0000 Buried
103 F E 0.0000 Buried
104 C E 0.0000 Buried
105 A E 0.0000 Buried
106 R E 0.0000 Buried
107 Q E -0.4123 Soluble
108 R E -0.8370 Soluble
109 S E -1.1129 Soluble
110 D E -1.6178 Soluble
112 Y E -0.4690 Soluble
113 W E -0.2619 Soluble
114 D E 0.0000 Buried
115 F E 0.0000 Buried
116 D E -0.8434 Soluble
117 V E 0.0063 Aggregation-prone
118 W E -0.2205 Soluble
119 G E 0.0000 Buried
120 S E -0.5815 Soluble
121 G E -0.7525 Soluble
122 T E 0.0000 Buried
123 Q E -0.9996 Soluble
124 V E 0.0000 Buried
125 T E 0.0365 Aggregation-prone
126 V E 0.0345 Aggregation-prone
1 D I -1.8487 Soluble
2 I I -1.1316 Soluble
3 Q I -1.6150 Soluble
4 M I -1.0026 Soluble
5 T I -0.5719 Soluble
6 Q I -0.5669 Soluble
7 S I -0.5694 Soluble
8 P I -0.4533 Soluble
9 S I -0.7258 Soluble
10 S I -0.7325 Soluble
11 L I -0.5249 Soluble
12 S I -0.1280 Soluble
13 A I 0.0218 Aggregation-prone
14 S I 0.1671 Aggregation-prone
15 V I 0.4244 Aggregation-prone
16 G I -1.4355 Soluble
17 D I -2.0647 Soluble
18 T I -1.2757 Soluble
19 V I 0.0000 Buried
20 T I -0.2291 Soluble
21 I I 0.0000 Buried
22 T I -0.7607 Soluble
23 C I 0.0000 Buried
24 Q I -1.8268 Soluble
25 A I 0.0000 Buried
27 N I -2.1263 Soluble
28 G I -0.8245 Soluble
38 Y I -0.1142 Soluble
39 L I 0.0000 Buried
40 N I 0.0000 Buried
41 W I 0.0000 Buried
42 Y I 0.0000 Buried
43 Q I -1.4871 Soluble
44 Q I -2.5316 Soluble
45 R I -4.1087 Soluble
46 R I -3.5029 Soluble
47 G I -2.8788 Soluble
48 K I -3.2862 Soluble
49 A I -1.8816 Soluble
50 P I 0.0000 Buried
51 K I -1.6821 Soluble
52 L I 0.0000 Buried
53 L I 0.0000 Buried
54 I I 0.0000 Buried
55 Y I -0.6444 Soluble
56 D I -1.5737 Soluble
57 G I 0.0000 Buried
65 S I -2.3243 Soluble
66 K I -2.3195 Soluble
67 L I -1.2041 Soluble
68 E I 0.0000 Buried
69 R I -2.1945 Soluble
70 G I -1.4729 Soluble
71 V I -1.1031 Soluble
72 P I -1.0851 Soluble
74 S I -1.4153 Soluble
75 R I -2.3115 Soluble
76 F I 0.0000 Buried
77 S I -1.4373 Soluble
78 G I -2.2255 Soluble
79 R I -3.2209 Soluble
80 R I -3.0069 Soluble
83 W I -0.9399 Soluble
84 G I -1.4345 Soluble
85 Q I -2.1433 Soluble
86 E I -1.9377 Soluble
87 Y I 0.0000 Buried
88 N I -1.8568 Soluble
89 L I 0.0000 Buried
90 T I -0.9589 Soluble
91 I I 0.0000 Buried
92 N I -1.9496 Soluble
93 N I -2.4358 Soluble
94 L I 0.0000 Buried
95 Q I -1.6928 Soluble
96 P I -1.3250 Soluble
97 E I -2.4179 Soluble
98 D I -1.6861 Soluble
99 I I -1.2993 Soluble
100 A I -1.8958 Soluble
101 T I -1.6269 Soluble
102 Y I 0.0000 Buried
103 F I 0.0000 Buried
104 C I 0.0000 Buried
105 Q I 0.0000 Buried
106 V I 0.0000 Buried
116 Y I 0.6214 Aggregation-prone
117 E I 0.0850 Aggregation-prone
118 F I 0.6267 Aggregation-prone
119 V I 0.6173 Aggregation-prone
120 V I 0.2072 Aggregation-prone
121 P I -0.5894 Soluble
122 G I -0.8436 Soluble
123 T I 0.0000 Buried
124 R I -2.0205 Soluble
125 L I 0.0000 Buried
126 D I 0.1407 Aggregation-prone
127 L I 1.0818 Aggregation-prone

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 -0.7182 4.5856 CSV PDB
4.5 -0.7603 4.3326 CSV PDB
5.0 -0.808 4.0477 CSV PDB
5.5 -0.8538 3.7507 CSV PDB
6.0 -0.8904 3.4498 CSV PDB
6.5 -0.9136 3.1481 CSV PDB
7.0 -0.9256 2.8476 CSV PDB
7.5 -0.931 2.552 CSV PDB
8.0 -0.9319 2.271 CSV PDB
8.5 -0.9266 2.0295 CSV PDB
9.0 -0.912 1.9902 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH