Teropavimab / 9bew

A4DAB261_9bew_C_D | Source PDB: 9bew | Chains: C, D | Done
99.55
Yes
10 Å
Yes
Avg A4D Score
-0.8086
Max Score
1.4157
Min Score
-3.365
Total Score
-175.47
Score CDR
-0.7909
Score non-CDR
-0.8125

Calculation Parameters

Chain Sequence(s) QVQLLQSGAAVTKPGASVRVSCEASGYNIRDYFIHWWRQAPGQGLQWVGWINPKTGQPNNPRQFQGRVSLTRHASWDFDTYSFYMDLKALRSDDTAVYFCARQRSDYWDFDVWGSGTQVTVDIQMTQSPSSLSASVGDTVTITCQANGYLNWYQQRRGKAPKLLIYDGSKLERGVPSRFSGRRWGQEYNLTINNLQPEDIATYFCQVYEFVVPGTRL input.pdb
Selected Chain(s) C (Heavy), D (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 -3.365
Maximum Score 1.4157
Average Score -0.8086
Total Score -175.4749

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

Index Residue Chain A4D Score Classification
1 Q C -1.2924 Soluble
2 V C -0.5656 Soluble
3 Q C -1.0398 Soluble
4 L C 0.0000 Buried
5 L C 0.6444 Aggregation-prone
6 Q C -0.0651 Soluble
7 S C -0.5397 Soluble
8 G C -0.7410 Soluble
9 A C -0.3592 Soluble
11 A C 0.3867 Aggregation-prone
12 V C 1.4157 Aggregation-prone
13 T C 0.0616 Aggregation-prone
14 K C -1.6642 Soluble
15 P C -1.9188 Soluble
16 G C -1.7184 Soluble
17 A C -1.1976 Soluble
18 S C -1.6266 Soluble
19 V C 0.0000 Buried
20 R C -2.0154 Soluble
21 V C 0.0000 Buried
22 S C -0.5281 Soluble
23 C C 0.0000 Buried
24 E C -0.6120 Soluble
25 A C 0.0000 Buried
26 S C -0.8398 Soluble
27 G C -1.1171 Soluble
28 Y C -1.1067 Soluble
29 N C -1.4328 Soluble
30 I C 0.0000 Buried
35 R C -2.0884 Soluble
36 D C -2.4029 Soluble
37 Y C -0.9802 Soluble
38 F C -0.0855 Soluble
39 I C 0.0000 Buried
40 H C 0.0000 Buried
41 W C 0.0000 Buried
42 W C 0.0000 Buried
43 R C 0.0000 Buried
44 Q C -0.7945 Soluble
45 A C -1.1448 Soluble
46 P C -0.9103 Soluble
47 G C -1.2413 Soluble
48 Q C -1.6883 Soluble
49 G C -1.0070 Soluble
50 L C 0.0000 Buried
51 Q C -0.5470 Soluble
52 W C 0.0000 Buried
53 V C 0.0000 Buried
54 G C 0.0000 Buried
55 W C -0.2163 Soluble
56 I C 0.0000 Buried
57 N C -1.4414 Soluble
58 P C 0.0000 Buried
59 K C -2.4751 Soluble
62 T C -1.5122 Soluble
63 G C -1.6021 Soluble
64 Q C -1.8391 Soluble
65 P C -1.2435 Soluble
66 N C -1.5594 Soluble
67 N C -1.6052 Soluble
68 P C -1.9509 Soluble
69 R C -2.9883 Soluble
70 Q C -2.5540 Soluble
71 F C 0.0000 Buried
72 Q C -2.5969 Soluble
74 G C -1.9389 Soluble
75 R C -1.8409 Soluble
76 V C 0.0000 Buried
77 S C -1.2088 Soluble
78 L C 0.0000 Buried
79 T C -0.7670 Soluble
80 R C -1.4398 Soluble
81 H C -1.0392 Soluble
82 A C -0.8201 Soluble
83 S C -0.1326 Soluble
84 W C 0.3757 Aggregation-prone
85 D C -1.0279 Soluble
85A F C -0.1226 Soluble
85B D C -1.6306 Soluble
85C T C -1.0220 Soluble
85D Y C 0.0000 Buried
86 S C -0.6238 Soluble
87 F C 0.0000 Buried
88 Y C -0.6672 Soluble
89 M C 0.0000 Buried
90 D C -1.5405 Soluble
91 L C 0.0000 Buried
92 K C -2.5352 Soluble
93 A C -1.9085 Soluble
94 L C 0.0000 Buried
95 R C -2.9523 Soluble
96 S C -2.1701 Soluble
97 D C -2.4078 Soluble
98 D C 0.0000 Buried
99 T C -0.8114 Soluble
100 A C 0.0000 Buried
101 V C -0.5551 Soluble
102 Y C 0.0000 Buried
103 F C 0.0000 Buried
104 C C 0.0000 Buried
105 A C 0.0000 Buried
106 R C 0.0000 Buried
107 Q C -0.4147 Soluble
108 R C -0.7964 Soluble
109 S C -1.0608 Soluble
110 D C -1.6276 Soluble
112 Y C -0.4325 Soluble
113 W C -0.3590 Soluble
114 D C 0.0000 Buried
115 F C 0.0000 Buried
116 D C -0.6366 Soluble
117 V C -0.3440 Soluble
118 W C 0.0000 Buried
119 G C 0.0000 Buried
120 S C -0.5865 Soluble
121 G C -0.7572 Soluble
122 T C 0.0000 Buried
123 Q C -0.9730 Soluble
124 V C 0.0000 Buried
125 T C -0.1904 Soluble
126 V C -0.4801 Soluble
1 D D -2.0393 Soluble
2 I D -1.1422 Soluble
3 Q D -1.5974 Soluble
4 M D -0.5199 Soluble
5 T D -0.6749 Soluble
6 Q D -0.6827 Soluble
7 S D -0.6273 Soluble
8 P D -0.5789 Soluble
9 S D -0.7609 Soluble
10 S D -0.6717 Soluble
11 L D -0.2370 Soluble
12 S D -0.0024 Soluble
13 A D 0.0924 Aggregation-prone
14 S D 0.2920 Aggregation-prone
15 V D 0.6789 Aggregation-prone
16 G D -0.9978 Soluble
17 D D -1.6149 Soluble
18 T D -1.1230 Soluble
19 V D -0.3741 Soluble
20 T D -0.1525 Soluble
21 I D 0.0000 Buried
22 T D -1.0047 Soluble
23 C D 0.0000 Buried
24 Q D -2.6592 Soluble
25 A D 0.0000 Buried
27 N D -2.4228 Soluble
28 G D -1.0364 Soluble
38 Y D -0.0179 Soluble
39 L D 0.0000 Buried
40 N D 0.0000 Buried
41 W D 0.0000 Buried
42 Y D 0.0000 Buried
43 Q D -1.0594 Soluble
44 Q D -2.2504 Soluble
45 R D -3.3591 Soluble
46 R D -3.3650 Soluble
47 G D -2.6442 Soluble
48 K D -3.2496 Soluble
49 A D -1.9048 Soluble
50 P D 0.0000 Buried
51 K D -1.7406 Soluble
52 L D 0.0000 Buried
53 L D 0.0000 Buried
54 I D 0.0000 Buried
55 Y D -0.4145 Soluble
56 D D -1.3506 Soluble
57 G D 0.0000 Buried
65 S D -2.0594 Soluble
66 K D -2.0261 Soluble
67 L D -0.7099 Soluble
68 E D 0.0000 Buried
69 R D -2.0570 Soluble
70 G D -1.2099 Soluble
71 V D -0.7383 Soluble
72 P D -0.5980 Soluble
74 S D -0.7421 Soluble
75 R D -1.2529 Soluble
76 F D 0.0000 Buried
77 S D -1.0455 Soluble
78 G D -1.8007 Soluble
79 R D -3.1928 Soluble
80 R D -3.2398 Soluble
83 W D -1.1445 Soluble
84 G D -1.6436 Soluble
85 Q D -2.8809 Soluble
86 E D -3.2298 Soluble
87 Y D 0.0000 Buried
88 N D -1.6358 Soluble
89 L D 0.0000 Buried
90 T D -0.8257 Soluble
91 I D 0.0000 Buried
92 N D -1.9482 Soluble
93 N D -2.0448 Soluble
94 L D 0.0000 Buried
95 Q D -1.0435 Soluble
96 P D -0.7433 Soluble
97 E D -1.7164 Soluble
98 D D 0.0000 Buried
99 I D 0.1779 Aggregation-prone
100 A D 0.0000 Buried
101 T D -1.3032 Soluble
102 Y D 0.0000 Buried
103 F D 0.0000 Buried
104 C D 0.0000 Buried
105 Q D 0.0000 Buried
106 V D 0.0000 Buried
107 Y D 0.3096 Aggregation-prone
116 E D -0.1212 Soluble
117 F D 0.8540 Aggregation-prone
118 V D 0.5773 Aggregation-prone
119 V D 0.2062 Aggregation-prone
120 P D -0.7369 Soluble
121 G D -0.8871 Soluble
122 T D 0.0000 Buried
123 R D -1.7690 Soluble
124 L D -0.2489 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
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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 -0.7219 3.9633 CSV PDB
4.5 -0.7654 3.7276 CSV PDB
5.0 -0.8154 3.4675 CSV PDB
5.5 -0.8639 3.2022 CSV PDB
6.0 -0.9034 2.9429 CSV PDB
6.5 -0.9294 2.6901 CSV PDB
7.0 -0.943 2.4357 CSV PDB
7.5 -0.9487 2.2258 CSV PDB
8.0 -0.9492 2.2143 CSV PDB
8.5 -0.9433 2.2103 CSV PDB
9.0 -0.928 2.2087 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH