Teropavimab / 7ly9

A4DAB261_7ly9_B_C | Source PDB: 7ly9 | Chains: B, C | Done
99.55
Yes
10 Å
Yes
Avg A4D Score
-0.8252
Max Score
1.3511
Min Score
-3.3008
Total Score
-180.72
Score CDR
-0.8051
Score non-CDR
-0.8296

Calculation Parameters

Chain Sequence(s) QVQLLQSGAAVTKPGASVRVSCEASGYNIRDYFIHWWRQAPGQGLQWVGWINPKTGQPNNPRQFQGRVSLTRHASWDFDTYSFYMDLKALRSDDTAVYFCARQRSDYWDFDVWGSGTQVTVDIQMTQSPSSLSASVGDTVTITCQANGYLNWYQQRRGKAPKLLIYDGSKLERGVPSRFSGRRWGQEYNLTINNLQPEDIATYFCQVYEFVVPGTRLDL input.pdb
Selected Chain(s) B (Heavy), C (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 -3.3008
Maximum Score 1.3511
Average Score -0.8252
Total Score -180.7237

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

Index Residue Chain A4D Score Classification
1 Q B -1.2930 Soluble
2 V B -0.7056 Soluble
3 Q B -1.0363 Soluble
4 L B 0.0000 Buried
5 L B 0.8124 Aggregation-prone
6 Q B 0.1989 Aggregation-prone
7 S B -0.5236 Soluble
8 G B -0.7495 Soluble
9 A B -0.4019 Soluble
11 A B 0.3885 Aggregation-prone
12 V B 1.3511 Aggregation-prone
13 T B 0.0765 Aggregation-prone
14 K B -1.5841 Soluble
15 P B -1.4058 Soluble
16 G B -1.6430 Soluble
17 A B -1.1418 Soluble
18 S B -1.3457 Soluble
19 V B -1.0927 Soluble
20 R B -1.8055 Soluble
21 V B 0.0000 Buried
22 S B -0.5240 Soluble
23 C B 0.0000 Buried
24 E B -0.7010 Soluble
25 A B 0.0000 Buried
26 S B -0.7077 Soluble
27 G B -0.9846 Soluble
28 Y B -1.1901 Soluble
29 N B -1.8716 Soluble
30 I B 0.0000 Buried
35 R B -2.4345 Soluble
36 D B -2.6649 Soluble
37 Y B -1.2442 Soluble
38 F B -0.0277 Soluble
39 I B 0.0000 Buried
40 H B 0.0000 Buried
41 W B 0.0000 Buried
42 W B 0.0000 Buried
43 R B -0.3832 Soluble
44 Q B -0.8734 Soluble
45 A B -1.1026 Soluble
46 P B -1.0694 Soluble
47 G B -1.2517 Soluble
48 Q B -1.6468 Soluble
49 G B -0.8337 Soluble
50 L B 0.0000 Buried
51 Q B -0.5498 Soluble
52 W B 0.0000 Buried
53 V B 0.0000 Buried
54 G B 0.0000 Buried
55 W B -0.2674 Soluble
56 I B 0.0000 Buried
57 N B -1.4488 Soluble
58 P B 0.0000 Buried
59 K B -2.6063 Soluble
62 T B -1.7081 Soluble
63 G B -1.7755 Soluble
64 Q B -1.9590 Soluble
65 P B -1.2447 Soluble
66 N B -1.6079 Soluble
67 N B -1.6359 Soluble
68 P B -1.9740 Soluble
69 R B -2.9764 Soluble
70 Q B -2.2036 Soluble
71 F B 0.0000 Buried
72 Q B -2.7096 Soluble
74 G B -1.9073 Soluble
75 R B -1.8865 Soluble
76 V B 0.0000 Buried
77 S B -1.1110 Soluble
78 L B 0.0000 Buried
79 T B -0.9405 Soluble
80 R B -1.7151 Soluble
81 H B -1.1261 Soluble
82 A B -0.5561 Soluble
83 S B -0.2114 Soluble
84 W B 0.4336 Aggregation-prone
85 D B -0.6111 Soluble
85A F B 0.4538 Aggregation-prone
85B D B -0.8505 Soluble
85C T B -0.6187 Soluble
85D Y B 0.0000 Buried
86 S B -0.7856 Soluble
87 F B 0.0000 Buried
88 Y B -0.7241 Soluble
89 M B 0.0000 Buried
90 D B -1.4107 Soluble
91 L B 0.0000 Buried
92 K B -2.0930 Soluble
93 A B -1.6267 Soluble
94 L B 0.0000 Buried
95 R B -2.7175 Soluble
96 S B -2.0884 Soluble
97 D B -2.4151 Soluble
98 D B 0.0000 Buried
99 T B -0.7947 Soluble
100 A B 0.0000 Buried
101 V B -0.5232 Soluble
102 Y B 0.0000 Buried
103 F B 0.0000 Buried
104 C B 0.0000 Buried
105 A B 0.0000 Buried
106 R B 0.0000 Buried
107 Q B -0.5244 Soluble
108 R B -1.1023 Soluble
109 S B -1.3288 Soluble
110 D B -1.8554 Soluble
112 Y B -0.6414 Soluble
113 W B -0.2219 Soluble
114 D B 0.0000 Buried
115 F B 0.0000 Buried
116 D B -0.9621 Soluble
117 V B 0.0000 Buried
118 W B -0.4578 Soluble
119 G B 0.0000 Buried
120 S B -0.5646 Soluble
121 G B -0.7083 Soluble
122 T B 0.0000 Buried
123 Q B -0.9863 Soluble
124 V B 0.0000 Buried
125 T B -0.1187 Soluble
126 V B -0.4442 Soluble
1 D C -2.0220 Soluble
2 I C -1.1603 Soluble
3 Q C -1.4905 Soluble
4 M C -0.3606 Soluble
5 T C -0.5895 Soluble
6 Q C -0.4669 Soluble
7 S C -0.5097 Soluble
8 P C -0.5420 Soluble
9 S C -0.7736 Soluble
10 S C -1.0274 Soluble
11 L C -0.4337 Soluble
12 S C -0.0705 Soluble
13 A C 0.1848 Aggregation-prone
14 S C 0.2459 Aggregation-prone
15 V C 0.3277 Aggregation-prone
16 G C -1.4986 Soluble
17 D C -2.1499 Soluble
18 T C -1.4398 Soluble
19 V C 0.0000 Buried
20 T C -0.2874 Soluble
21 I C 0.0000 Buried
22 T C -0.7803 Soluble
23 C C 0.0000 Buried
24 Q C -1.9829 Soluble
25 A C 0.0000 Buried
27 N C -1.5971 Soluble
28 G C -0.5460 Soluble
38 Y C 0.5667 Aggregation-prone
39 L C 0.0000 Buried
40 N C 0.0000 Buried
41 W C 0.0000 Buried
42 Y C 0.0000 Buried
43 Q C -0.9773 Soluble
44 Q C -2.0066 Soluble
45 R C -3.0113 Soluble
46 R C -3.1371 Soluble
47 G C -2.6580 Soluble
48 K C -3.0753 Soluble
49 A C -1.7577 Soluble
50 P C 0.0000 Buried
51 K C -1.5349 Soluble
52 L C 0.0000 Buried
53 L C 0.0000 Buried
54 I C 0.0000 Buried
55 Y C -0.4775 Soluble
56 D C -0.9298 Soluble
57 G C 0.0000 Buried
65 S C -2.0710 Soluble
66 K C -2.1955 Soluble
67 L C -0.7957 Soluble
68 E C -1.3281 Soluble
69 R C -2.2242 Soluble
70 G C -1.2869 Soluble
71 V C -0.7679 Soluble
72 P C -0.6270 Soluble
74 S C -0.7306 Soluble
75 R C -1.1015 Soluble
76 F C 0.0000 Buried
77 S C -1.0521 Soluble
78 G C -1.7638 Soluble
79 R C -3.2214 Soluble
80 R C -3.3008 Soluble
83 W C -1.4460 Soluble
84 G C -1.7944 Soluble
85 Q C -2.5920 Soluble
86 E C -3.1631 Soluble
87 Y C 0.0000 Buried
88 N C -1.9338 Soluble
89 L C 0.0000 Buried
90 T C -0.8567 Soluble
91 I C 0.0000 Buried
92 N C -2.1750 Soluble
93 N C -2.4114 Soluble
94 L C 0.0000 Buried
95 Q C -1.8292 Soluble
96 P C -1.3702 Soluble
97 E C -2.2080 Soluble
98 D C -1.5247 Soluble
99 I C -0.6237 Soluble
100 A C -1.5451 Soluble
101 T C -1.4484 Soluble
102 Y C 0.0000 Buried
103 F C 0.0000 Buried
104 C C 0.0000 Buried
105 Q C 0.0000 Buried
106 V C 0.0000 Buried
116 Y C 0.4881 Aggregation-prone
117 E C -0.2713 Soluble
118 F C 0.7583 Aggregation-prone
119 V C 0.4477 Aggregation-prone
120 V C 0.2774 Aggregation-prone
121 P C -0.7223 Soluble
122 G C -0.8951 Soluble
123 T C 0.0000 Buried
124 R C -1.9925 Soluble
125 L C 0.0000 Buried
126 D C -0.6932 Soluble
127 L C 1.0578 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 -0.7037 4.1774 CSV PDB
4.5 -0.7499 3.9108 CSV PDB
5.0 -0.805 3.6111 CSV PDB
5.5 -0.8605 3.3046 CSV PDB
6.0 -0.9077 3.0039 CSV PDB
6.5 -0.9414 2.7511 CSV PDB
7.0 -0.9621 2.5243 CSV PDB
7.5 -0.9739 2.29 CSV PDB
8.0 -0.9796 2.1063 CSV PDB
8.5 -0.9785 2.1 CSV PDB
9.0 -0.9676 2.0978 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH