Teropavimab / 9bew

A4DAB261_9bew_O_P | Source PDB: 9bew | Chains: O, P | Done
99.55
Yes
10 Å
Yes
Avg A4D Score
-0.8203
Max Score
1.4137
Min Score
-3.2644
Total Score
-178.0
Score CDR
-0.7911
Score non-CDR
-0.8267

Calculation Parameters

Chain Sequence(s) QVQLLQSGAAVTKPGASVRVSCEASGYNIRDYFIHWWRQAPGQGLQWVGWINPKTGQPNNPRQFQGRVSLTRHASWDFDTYSFYMDLKALRSDDTAVYFCARQRSDYWDFDVWGSGTQVTVDIQMTQSPSSLSASVGDTVTITCQANGYLNWYQQRRGKAPKLLIYDGSKLERGVPSRFSGRRWGQEYNLTINNLQPEDIATYFCQVYEFVVPGTRL input.pdb
Selected Chain(s) O (Heavy), P (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 -3.2644
Maximum Score 1.4137
Average Score -0.8203
Total Score -178.0038

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

Index Residue Chain A4D Score Classification
1 Q O -1.3130 Soluble
2 V O -0.6021 Soluble
3 Q O -1.0553 Soluble
4 L O 0.0000 Buried
5 L O 0.6406 Aggregation-prone
6 Q O -0.0651 Soluble
7 S O -0.5389 Soluble
8 G O -0.7420 Soluble
9 A O -0.3600 Soluble
11 A O 0.3840 Aggregation-prone
12 V O 1.4137 Aggregation-prone
13 T O 0.0603 Aggregation-prone
14 K O -1.6641 Soluble
15 P O -1.9186 Soluble
16 G O -1.7181 Soluble
17 A O -1.1974 Soluble
18 S O -1.6266 Soluble
19 V O 0.0000 Buried
20 R O -2.0082 Soluble
21 V O 0.0000 Buried
22 S O -0.5255 Soluble
23 C O 0.0000 Buried
24 E O -0.6121 Soluble
25 A O 0.0000 Buried
26 S O -0.8516 Soluble
27 G O -1.1390 Soluble
28 Y O -1.1207 Soluble
29 N O -1.4386 Soluble
30 I O 0.0000 Buried
35 R O -2.0874 Soluble
36 D O -2.3944 Soluble
37 Y O -0.9604 Soluble
38 F O -0.0659 Soluble
39 I O 0.0000 Buried
40 H O 0.0000 Buried
41 W O 0.0000 Buried
42 W O 0.0000 Buried
43 R O 0.0000 Buried
44 Q O -0.8383 Soluble
45 A O -1.1527 Soluble
46 P O -0.9076 Soluble
47 G O -1.2399 Soluble
48 Q O -1.6932 Soluble
49 G O -1.0178 Soluble
50 L O 0.0000 Buried
51 Q O -0.6250 Soluble
52 W O 0.0000 Buried
53 V O 0.0000 Buried
54 G O 0.0000 Buried
55 W O -0.2163 Soluble
56 I O 0.0000 Buried
57 N O -1.4404 Soluble
58 P O 0.0000 Buried
59 K O -2.4737 Soluble
62 T O -1.5123 Soluble
63 G O -1.6025 Soluble
64 Q O -1.8420 Soluble
65 P O -1.2505 Soluble
66 N O -1.5632 Soluble
67 N O -1.6086 Soluble
68 P O -1.9515 Soluble
69 R O -2.9886 Soluble
70 Q O -2.5556 Soluble
71 F O 0.0000 Buried
72 Q O -2.6007 Soluble
74 G O -1.9445 Soluble
75 R O -1.8532 Soluble
76 V O 0.0000 Buried
77 S O -1.2133 Soluble
78 L O 0.0000 Buried
79 T O -0.7683 Soluble
80 R O -1.4381 Soluble
81 H O -1.0389 Soluble
82 A O -0.8219 Soluble
83 S O -0.1346 Soluble
84 W O 0.3749 Aggregation-prone
85 D O -1.0286 Soluble
85A F O -0.1238 Soluble
85B D O -1.6323 Soluble
85C T O -1.0239 Soluble
85D Y O 0.0000 Buried
86 S O -0.6233 Soluble
87 F O 0.0000 Buried
88 Y O -0.6638 Soluble
89 M O 0.0000 Buried
90 D O -1.5424 Soluble
91 L O 0.0000 Buried
92 K O -2.5395 Soluble
93 A O -1.9111 Soluble
94 L O 0.0000 Buried
95 R O -2.9522 Soluble
96 S O -2.1699 Soluble
97 D O -2.4076 Soluble
98 D O 0.0000 Buried
99 T O -0.8108 Soluble
100 A O 0.0000 Buried
101 V O -0.5523 Soluble
102 Y O 0.0000 Buried
103 F O 0.0000 Buried
104 C O 0.0000 Buried
105 A O 0.0000 Buried
106 R O 0.0000 Buried
107 Q O -0.3737 Soluble
108 R O -0.7264 Soluble
109 S O -1.0448 Soluble
110 D O -1.6176 Soluble
112 Y O -0.4087 Soluble
113 W O -0.3301 Soluble
114 D O 0.0000 Buried
115 F O 0.0000 Buried
116 D O -0.6925 Soluble
117 V O -0.3582 Soluble
118 W O 0.0000 Buried
119 G O 0.0000 Buried
120 S O -0.5897 Soluble
121 G O -0.7584 Soluble
122 T O 0.0000 Buried
123 Q O -0.9725 Soluble
124 V O 0.0000 Buried
125 T O -0.1911 Soluble
126 V O -0.4807 Soluble
1 D P -2.0401 Soluble
2 I P -1.1487 Soluble
3 Q P -1.6001 Soluble
4 M P -0.5219 Soluble
5 T P -0.6655 Soluble
6 Q P -0.6699 Soluble
7 S P -0.6215 Soluble
8 P P -0.5755 Soluble
9 S P -0.7578 Soluble
10 S P -0.6707 Soluble
11 L P -0.2370 Soluble
12 S P -0.0745 Soluble
13 A P 0.0921 Aggregation-prone
14 S P 0.2918 Aggregation-prone
15 V P 0.5976 Aggregation-prone
16 G P -1.0066 Soluble
17 D P -1.6161 Soluble
18 T P -1.1253 Soluble
19 V P -0.3785 Soluble
20 T P -0.1613 Soluble
21 I P 0.0000 Buried
22 T P -1.0175 Soluble
23 C P 0.0000 Buried
24 Q P -2.6596 Soluble
25 A P 0.0000 Buried
27 N P -2.4167 Soluble
28 G P -1.0216 Soluble
38 Y P -0.0103 Soluble
39 L P 0.0000 Buried
40 N P 0.0000 Buried
41 W P 0.0000 Buried
42 Y P 0.0000 Buried
43 Q P -1.1119 Soluble
44 Q P -2.2184 Soluble
45 R P -3.2155 Soluble
46 R P -3.2334 Soluble
47 G P -2.5739 Soluble
48 K P -3.1788 Soluble
49 A P -1.8790 Soluble
50 P P 0.0000 Buried
51 K P -1.8425 Soluble
52 L P 0.0000 Buried
53 L P 0.0000 Buried
54 I P 0.0000 Buried
55 Y P -0.4771 Soluble
56 D P -1.4077 Soluble
57 G P 0.0000 Buried
65 S P -2.1030 Soluble
66 K P -2.0944 Soluble
67 L P -0.8210 Soluble
68 E P -1.2185 Soluble
69 R P -2.1468 Soluble
70 G P -1.2536 Soluble
71 V P -0.8145 Soluble
72 P P -0.6490 Soluble
74 S P -0.8143 Soluble
75 R P -1.3695 Soluble
76 F P 0.0000 Buried
77 S P -1.0817 Soluble
78 G P -1.8168 Soluble
79 R P -3.2068 Soluble
80 R P -3.2468 Soluble
83 W P -1.1507 Soluble
84 G P -1.6484 Soluble
85 Q P -2.8890 Soluble
86 E P -3.2644 Soluble
87 Y P 0.0000 Buried
88 N P -1.6672 Soluble
89 L P 0.0000 Buried
90 T P -0.8536 Soluble
91 I P 0.0000 Buried
92 N P -1.9891 Soluble
93 N P -2.0841 Soluble
94 L P 0.0000 Buried
95 Q P -1.2243 Soluble
96 P P -0.9172 Soluble
97 E P -1.9237 Soluble
98 D P 0.0000 Buried
99 I P -0.4452 Soluble
100 A P 0.0000 Buried
101 T P 0.0000 Buried
102 Y P 0.0000 Buried
103 F P 0.0000 Buried
104 C P 0.0000 Buried
105 Q P 0.0000 Buried
106 V P 0.0000 Buried
107 Y P 0.3179 Aggregation-prone
116 E P -0.1442 Soluble
117 F P 0.8133 Aggregation-prone
118 V P 0.5456 Aggregation-prone
119 V P 0.1967 Aggregation-prone
120 P P -0.7528 Soluble
121 G P -0.8724 Soluble
122 T P 0.0000 Buried
123 R P -1.8606 Soluble
124 L P -0.4497 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 -0.7345 3.9539 CSV PDB
4.5 -0.7789 3.7189 CSV PDB
5.0 -0.83 3.4592 CSV PDB
5.5 -0.8796 3.194 CSV PDB
6.0 -0.9198 2.9346 CSV PDB
6.5 -0.9458 2.6819 CSV PDB
7.0 -0.9588 2.4278 CSV PDB
7.5 -0.9636 2.1707 CSV PDB
8.0 -0.963 2.1494 CSV PDB
8.5 -0.9559 2.1451 CSV PDB
9.0 -0.9398 2.1435 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH