Teropavimab / 8gje

A4DAB261_8gje_H_L | Source PDB: 8gje | Chains: H, L | Done
99.55
Yes
10 Å
Yes
Avg A4D Score
-0.7878
Max Score
1.3379
Min Score
-3.0806
Total Score
-172.52
Score CDR
-0.7585
Score non-CDR
-0.7941

Calculation Parameters

Chain Sequence(s) QVQLLQSGAAVTKPGASVRVSCEASGYNIRDYFIHWWRQAPGQGLQWVGWINPKTGQPNNPRQFQGRVSLTRHASWDFDTYSFYMDLKALRSDDTAVYFCARQRSDYWDFDVWGSGTQVTVDIQMTQSPSSLSASVGDTVTITCQANGYLNWYQQRRGKAPKLLIYDGSKLERGVPSRFSGRRWGQEYNLTINNLQPEDIATYFCQVYEFVVPGTRLDL input.pdb
Selected Chain(s) H (Heavy), L (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 -3.0806
Maximum Score 1.3379
Average Score -0.7878
Total Score -172.5204

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

Index Residue Chain A4D Score Classification
1 Q H -1.3796 Soluble
2 V H -0.8484 Soluble
3 Q H -0.9201 Soluble
4 L H 0.0000 Buried
5 L H 0.1007 Aggregation-prone
6 Q H -0.2664 Soluble
7 S H -0.8307 Soluble
8 G H -0.7541 Soluble
9 A H -0.2863 Soluble
11 A H 0.2742 Aggregation-prone
12 V H 1.3379 Aggregation-prone
13 T H -0.1931 Soluble
14 K H -1.7709 Soluble
15 P H -2.1592 Soluble
16 G H -1.6848 Soluble
17 A H -1.5250 Soluble
18 S H -1.8195 Soluble
19 V H 0.0000 Buried
20 R H -2.1559 Soluble
21 V H 0.0000 Buried
22 S H -0.7401 Soluble
23 C H 0.0000 Buried
24 E H -0.9555 Soluble
25 A H 0.0000 Buried
26 S H -1.0571 Soluble
27 G H -1.4316 Soluble
28 Y H -1.2093 Soluble
29 N H -1.4987 Soluble
30 I H 0.0000 Buried
35 R H -2.2384 Soluble
36 D H -2.4534 Soluble
37 Y H -0.9587 Soluble
38 F H -0.1022 Soluble
39 I H 0.0000 Buried
40 H H 0.0000 Buried
41 W H 0.0000 Buried
42 W H 0.0000 Buried
43 R H 0.0000 Buried
44 Q H -0.7931 Soluble
45 A H -1.1133 Soluble
46 P H -0.8647 Soluble
47 G H -1.2349 Soluble
48 Q H -1.6795 Soluble
49 G H -0.8561 Soluble
50 L H 0.0000 Buried
51 Q H -0.6187 Soluble
52 W H -0.2458 Soluble
53 V H 0.0000 Buried
54 G H 0.0000 Buried
55 W H -0.3734 Soluble
56 I H 0.0000 Buried
57 N H -1.3277 Soluble
58 P H 0.0000 Buried
59 K H -2.5672 Soluble
62 T H -1.5099 Soluble
63 G H -1.5347 Soluble
64 Q H -1.7110 Soluble
65 P H -1.1571 Soluble
66 N H -1.5135 Soluble
67 N H -1.7107 Soluble
68 P H -2.0593 Soluble
69 R H -3.0806 Soluble
70 Q H -2.6145 Soluble
71 F H 0.0000 Buried
72 Q H -2.6758 Soluble
74 G H -1.8854 Soluble
75 R H -1.8724 Soluble
76 V H 0.0000 Buried
77 S H -1.1261 Soluble
78 L H 0.0000 Buried
79 T H -0.6804 Soluble
80 R H -1.4041 Soluble
81 H H -1.1952 Soluble
82 A H -0.8134 Soluble
83 S H -0.2100 Soluble
84 W H 0.2226 Aggregation-prone
85 D H -1.1216 Soluble
85A F H -0.2948 Soluble
85B D H -1.7094 Soluble
85C T H -1.2028 Soluble
85D Y H 0.0000 Buried
86 S H -0.7732 Soluble
87 F H 0.0000 Buried
88 Y H -0.7210 Soluble
89 M H 0.0000 Buried
90 D H -1.4267 Soluble
91 L H 0.0000 Buried
92 K H -2.2671 Soluble
93 A H -1.4572 Soluble
94 L H 0.0000 Buried
95 R H -3.0199 Soluble
96 S H -2.1906 Soluble
97 D H -2.4430 Soluble
98 D H 0.0000 Buried
99 T H -0.8477 Soluble
100 A H 0.0000 Buried
101 V H -0.5595 Soluble
102 Y H 0.0000 Buried
103 F H 0.0000 Buried
104 C H 0.0000 Buried
105 A H 0.0000 Buried
106 R H 0.0000 Buried
107 Q H -0.5681 Soluble
108 R H -1.0057 Soluble
109 S H -1.0912 Soluble
110 D H -1.6570 Soluble
112 Y H -0.3661 Soluble
113 W H 0.0000 Buried
114 D H 0.0000 Buried
115 F H 0.0000 Buried
116 D H -0.6606 Soluble
117 V H -0.1610 Soluble
118 W H 0.0000 Buried
119 G H 0.0000 Buried
120 S H -0.8802 Soluble
121 G H -0.8999 Soluble
122 T H 0.0000 Buried
123 Q H -0.9805 Soluble
124 V H 0.0000 Buried
125 T H -0.2134 Soluble
126 V H -0.6541 Soluble
1 D L -1.7666 Soluble
2 I L -0.4536 Soluble
3 Q L -1.3694 Soluble
4 M L -0.9145 Soluble
5 T L -0.6884 Soluble
6 Q L -0.6069 Soluble
7 S L -0.5430 Soluble
8 P L -0.6213 Soluble
9 S L -0.8342 Soluble
10 S L -1.2654 Soluble
11 L L -0.9494 Soluble
12 S L -0.8338 Soluble
13 A L -0.1898 Soluble
14 S L 0.0429 Aggregation-prone
15 V L 0.9737 Aggregation-prone
16 G L -0.7450 Soluble
17 D L -1.1200 Soluble
18 T L -0.9771 Soluble
19 V L -0.5210 Soluble
20 T L -0.1486 Soluble
21 I L 0.0000 Buried
22 T L -0.6436 Soluble
23 C L 0.0000 Buried
24 Q L -2.1218 Soluble
25 A L 0.0000 Buried
27 N L -1.9175 Soluble
28 G L -0.4162 Soluble
38 Y L 0.8713 Aggregation-prone
39 L L 0.0000 Buried
40 N L 0.0000 Buried
41 W L 0.0000 Buried
42 Y L 0.0000 Buried
43 Q L 0.0000 Buried
44 Q L 0.0000 Buried
45 R L -2.2298 Soluble
46 R L -2.8746 Soluble
47 G L -2.5536 Soluble
48 K L -2.5900 Soluble
49 A L -1.6501 Soluble
50 P L 0.0000 Buried
51 K L -1.2655 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.4146 Soluble
56 D L -0.7686 Soluble
57 G L -1.1146 Soluble
65 S L -1.8075 Soluble
66 K L -2.0069 Soluble
67 L L -1.0043 Soluble
68 E L -1.4956 Soluble
69 R L -2.2800 Soluble
70 G L -1.4079 Soluble
71 V L 0.0000 Buried
72 P L -0.6503 Soluble
74 S L -0.6679 Soluble
75 R L -1.1250 Soluble
76 F L 0.0000 Buried
77 S L -0.9541 Soluble
78 G L 0.0000 Buried
79 R L -2.9405 Soluble
80 R L -2.9515 Soluble
83 W L -0.9992 Soluble
84 G L -1.3825 Soluble
85 Q L -2.3569 Soluble
86 E L -2.6936 Soluble
87 Y L -2.0570 Soluble
88 N L -1.2871 Soluble
89 L L 0.0000 Buried
90 T L -0.7694 Soluble
91 I L 0.0000 Buried
92 N L -1.8229 Soluble
93 N L -1.9047 Soluble
94 L L 0.0000 Buried
95 Q L -0.9460 Soluble
96 P L -0.6757 Soluble
97 E L -1.6082 Soluble
98 D L 0.0000 Buried
99 I L -0.2006 Soluble
100 A L 0.0000 Buried
101 T L 0.0000 Buried
102 Y L 0.0000 Buried
103 F L 0.0000 Buried
104 C L 0.0000 Buried
105 Q L 0.0000 Buried
106 V L 0.0000 Buried
107 Y L 0.4700 Aggregation-prone
116 E L -0.4758 Soluble
117 F L 0.7887 Aggregation-prone
118 V L 0.0000 Buried
119 V L 0.1463 Aggregation-prone
120 P L -0.7014 Soluble
121 G L -0.8867 Soluble
122 T L 0.0000 Buried
123 R L -2.1916 Soluble
124 L L 0.0000 Buried
125 D L -1.6584 Soluble
126 L L 0.1088 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 -0.6441 4.1119 CSV PDB
4.5 -0.6902 3.8795 CSV PDB
5.0 -0.7451 3.6036 CSV PDB
5.5 -0.7991 3.3139 CSV PDB
6.0 -0.844 3.0265 CSV PDB
6.5 -0.8759 2.7407 CSV PDB
7.0 -0.8967 2.4481 CSV PDB
7.5 -0.9107 2.2634 CSV PDB
8.0 -0.9204 2.2531 CSV PDB
8.5 -0.9248 2.2495 CSV PDB
9.0 -0.9203 2.248 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH