Teropavimab / 9bew

A4DAB261_9bew_F_I | Source PDB: 9bew | Chains: F, I | Done
99.55
Yes
10 Å
Yes
Avg A4D Score
-0.8084
Max Score
1.4137
Min Score
-3.349
Total Score
-175.43
Score CDR
-0.78
Score non-CDR
-0.8147

Calculation Parameters

Chain Sequence(s) QVQLLQSGAAVTKPGASVRVSCEASGYNIRDYFIHWWRQAPGQGLQWVGWINPKTGQPNNPRQFQGRVSLTRHASWDFDTYSFYMDLKALRSDDTAVYFCARQRSDYWDFDVWGSGTQVTVDIQMTQSPSSLSASVGDTVTITCQANGYLNWYQQRRGKAPKLLIYDGSKLERGVPSRFSGRRWGQEYNLTINNLQPEDIATYFCQVYEFVVPGTRL input.pdb
Selected Chain(s) F (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 -3.349
Maximum Score 1.4137
Average Score -0.8084
Total Score -175.4282

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

Index Residue Chain A4D Score Classification
1 Q F -1.2993 Soluble
2 V F -0.5949 Soluble
3 Q F -1.1029 Soluble
4 L F 0.0000 Buried
5 L F 0.4663 Aggregation-prone
6 Q F -0.1536 Soluble
7 S F -0.5805 Soluble
8 G F -0.7398 Soluble
9 A F -0.3608 Soluble
11 A F 0.3841 Aggregation-prone
12 V F 1.4137 Aggregation-prone
13 T F 0.0607 Aggregation-prone
14 K F -1.6640 Soluble
15 P F -1.9185 Soluble
16 G F -1.7181 Soluble
17 A F -1.1973 Soluble
18 S F -1.6276 Soluble
19 V F 0.0000 Buried
20 R F -2.0050 Soluble
21 V F 0.0000 Buried
22 S F -0.5612 Soluble
23 C F 0.0000 Buried
24 E F -0.7844 Soluble
25 A F 0.0000 Buried
26 S F -0.9065 Soluble
27 G F -1.1349 Soluble
28 Y F -1.1032 Soluble
29 N F -1.4400 Soluble
30 I F 0.0000 Buried
35 R F -2.0962 Soluble
36 D F -2.3837 Soluble
37 Y F -0.9421 Soluble
38 F F -0.0593 Soluble
39 I F 0.0000 Buried
40 H F 0.0000 Buried
41 W F 0.0000 Buried
42 W F 0.0000 Buried
43 R F 0.0000 Buried
44 Q F -0.8104 Soluble
45 A F -1.1517 Soluble
46 P F -0.9098 Soluble
47 G F -1.2401 Soluble
48 Q F -1.6935 Soluble
49 G F -1.0191 Soluble
50 L F 0.0000 Buried
51 Q F -0.6090 Soluble
52 W F 0.0000 Buried
53 V F 0.0000 Buried
54 G F 0.0000 Buried
55 W F -0.2167 Soluble
56 I F 0.0000 Buried
57 N F -1.4422 Soluble
58 P F 0.0000 Buried
59 K F -2.4752 Soluble
62 T F -1.5123 Soluble
63 G F -1.6024 Soluble
64 Q F -1.8394 Soluble
65 P F -1.2439 Soluble
66 N F -1.5600 Soluble
67 N F -1.6084 Soluble
68 P F -1.9561 Soluble
69 R F -2.9888 Soluble
70 Q F -2.5570 Soluble
71 F F 0.0000 Buried
72 Q F -2.6032 Soluble
74 G F -1.9485 Soluble
75 R F -1.8610 Soluble
76 V F 0.0000 Buried
77 S F -1.2139 Soluble
78 L F 0.0000 Buried
79 T F -0.7665 Soluble
80 R F -1.4521 Soluble
81 H F -1.0726 Soluble
82 A F -0.8782 Soluble
83 S F -0.2065 Soluble
84 W F 0.3300 Aggregation-prone
85 D F -1.0783 Soluble
85A F F -0.2133 Soluble
85B D F -1.6773 Soluble
85C T F -1.0893 Soluble
85D Y F 0.0000 Buried
86 S F -0.6930 Soluble
87 F F 0.0000 Buried
88 Y F -0.6764 Soluble
89 M F 0.0000 Buried
90 D F -1.5420 Soluble
91 L F 0.0000 Buried
92 K F -2.5425 Soluble
93 A F -1.9130 Soluble
94 L F 0.0000 Buried
95 R F -2.9521 Soluble
96 S F -2.1702 Soluble
97 D F -2.4077 Soluble
98 D F 0.0000 Buried
99 T F -0.8119 Soluble
100 A F 0.0000 Buried
101 V F -0.5584 Soluble
102 Y F 0.0000 Buried
103 F F 0.0000 Buried
104 C F 0.0000 Buried
105 A F 0.0000 Buried
106 R F 0.0000 Buried
107 Q F -0.3530 Soluble
108 R F -0.6696 Soluble
109 S F -0.9876 Soluble
110 D F -1.5875 Soluble
112 Y F -0.3867 Soluble
113 W F -0.3062 Soluble
114 D F 0.0000 Buried
115 F F 0.0000 Buried
116 D F -0.6793 Soluble
117 V F -0.3803 Soluble
118 W F 0.0000 Buried
119 G F 0.0000 Buried
120 S F -0.6163 Soluble
121 G F -0.7772 Soluble
122 T F 0.0000 Buried
123 Q F -0.9752 Soluble
124 V F 0.0000 Buried
125 T F -0.1917 Soluble
126 V F -0.4807 Soluble
1 D I -2.0431 Soluble
2 I I -1.1468 Soluble
3 Q I -1.5922 Soluble
4 M I -0.5083 Soluble
5 T I -0.6598 Soluble
6 Q I -0.6690 Soluble
7 S I -0.6200 Soluble
8 P I -0.5766 Soluble
9 S I -0.7591 Soluble
10 S I -0.6718 Soluble
11 L I -0.2384 Soluble
12 S I 0.0018 Aggregation-prone
13 A I 0.0923 Aggregation-prone
14 S I 0.2919 Aggregation-prone
15 V I 0.6723 Aggregation-prone
16 G I -1.0074 Soluble
17 D I -1.6169 Soluble
18 T I -1.1262 Soluble
19 V I -0.3756 Soluble
20 T I -0.1547 Soluble
21 I I 0.0000 Buried
22 T I -1.0103 Soluble
23 C I 0.0000 Buried
24 Q I -2.6484 Soluble
25 A I 0.0000 Buried
27 N I -2.4293 Soluble
28 G I -1.0332 Soluble
38 Y I -0.0070 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 -1.0752 Soluble
44 Q I -2.2450 Soluble
45 R I -3.3336 Soluble
46 R I -3.3490 Soluble
47 G I -2.6368 Soluble
48 K I -3.2543 Soluble
49 A I -1.9272 Soluble
50 P I 0.0000 Buried
51 K I -1.8646 Soluble
52 L I 0.0000 Buried
53 L I 0.0000 Buried
54 I I 0.0000 Buried
55 Y I -0.3972 Soluble
56 D I -1.3263 Soluble
57 G I 0.0000 Buried
65 S I -2.0426 Soluble
66 K I -2.0191 Soluble
67 L I -0.7028 Soluble
68 E I 0.0000 Buried
69 R I -2.0563 Soluble
70 G I -1.2028 Soluble
71 V I -0.7460 Soluble
72 P I -0.6104 Soluble
74 S I -0.7680 Soluble
75 R I -1.3153 Soluble
76 F I 0.0000 Buried
77 S I -1.0613 Soluble
78 G I -1.7882 Soluble
79 R I -3.1774 Soluble
80 R I -3.2045 Soluble
83 W I -1.1422 Soluble
84 G I -1.6485 Soluble
85 Q I -2.8972 Soluble
86 E I -3.2813 Soluble
87 Y I 0.0000 Buried
88 N I -1.6419 Soluble
89 L I 0.0000 Buried
90 T I -0.8378 Soluble
91 I I 0.0000 Buried
92 N I -1.9780 Soluble
93 N I -2.0732 Soluble
94 L I 0.0000 Buried
95 Q I -1.0875 Soluble
96 P I -0.7549 Soluble
97 E I -1.7182 Soluble
98 D I 0.0000 Buried
99 I I 0.2235 Aggregation-prone
100 A I 0.0000 Buried
101 T I 0.0000 Buried
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
107 Y I 0.3315 Aggregation-prone
116 E I -0.1422 Soluble
117 F I 0.8548 Aggregation-prone
118 V I 0.5681 Aggregation-prone
119 V I 0.2061 Aggregation-prone
120 P I -0.7350 Soluble
121 G I -0.8764 Soluble
122 T I 0.0000 Buried
123 R I -1.7508 Soluble
124 L I -0.2332 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 -0.7159 3.7924 CSV PDB
4.5 -0.7602 3.5543 CSV PDB
5.0 -0.8111 3.2931 CSV PDB
5.5 -0.8607 3.0277 CSV PDB
6.0 -0.9013 2.7687 CSV PDB
6.5 -0.9283 2.516 CSV PDB
7.0 -0.9423 2.2713 CSV PDB
7.5 -0.9479 2.2438 CSV PDB
8.0 -0.948 2.2334 CSV PDB
8.5 -0.9411 2.2298 CSV PDB
9.0 -0.9248 2.2284 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH