Teropavimab / 8gje

A4DAB261_8gje_I_K | Source PDB: 8gje | Chains: I, K | Done
99.55
Yes
10 Å
Yes
Avg A4D Score
-0.7842
Max Score
1.3374
Min Score
-3.1062
Total Score
-171.74
Score CDR
-0.744
Score non-CDR
-0.7929

Calculation Parameters

Chain Sequence(s) QVQLLQSGAAVTKPGASVRVSCEASGYNIRDYFIHWWRQAPGQGLQWVGWINPKTGQPNNPRQFQGRVSLTRHASWDFDTYSFYMDLKALRSDDTAVYFCARQRSDYWDFDVWGSGTQVTVDIQMTQSPSSLSASVGDTVTITCQANGYLNWYQQRRGKAPKLLIYDGSKLERGVPSRFSGRRWGQEYNLTINNLQPEDIATYFCQVYEFVVPGTRLDL input.pdb
Selected Chain(s) I (Heavy), K (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 -3.1062
Maximum Score 1.3374
Average Score -0.7842
Total Score -171.7403

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

Index Residue Chain A4D Score Classification
1 Q I -1.3785 Soluble
2 V I -0.8455 Soluble
3 Q I -0.9181 Soluble
4 L I 0.0000 Buried
5 L I 0.0974 Aggregation-prone
6 Q I -0.2689 Soluble
7 S I -0.8321 Soluble
8 G I -0.7538 Soluble
9 A I -0.2869 Soluble
11 A I 0.2741 Aggregation-prone
12 V I 1.3374 Aggregation-prone
13 T I -0.2092 Soluble
14 K I -1.8031 Soluble
15 P I -2.2296 Soluble
16 G I -1.7274 Soluble
17 A I -1.5507 Soluble
18 S I -1.8367 Soluble
19 V I 0.0000 Buried
20 R I -2.1554 Soluble
21 V I 0.0000 Buried
22 S I -0.7419 Soluble
23 C I 0.0000 Buried
24 E I -0.9678 Soluble
25 A I 0.0000 Buried
26 S I -1.0555 Soluble
27 G I -1.4297 Soluble
28 Y I -1.2050 Soluble
29 N I -1.4927 Soluble
30 I I 0.0000 Buried
35 R I -2.2382 Soluble
36 D I -2.4545 Soluble
37 Y I -0.9595 Soluble
38 F I -0.0901 Soluble
39 I I 0.0000 Buried
40 H I 0.0000 Buried
41 W I 0.0000 Buried
42 W I 0.0000 Buried
43 R I 0.0000 Buried
44 Q I -0.7899 Soluble
45 A I -1.1113 Soluble
46 P I -0.8653 Soluble
47 G I -1.2347 Soluble
48 Q I -1.6767 Soluble
49 G I -0.8493 Soluble
50 L I 0.0000 Buried
51 Q I -0.5237 Soluble
52 W I -0.0718 Soluble
53 V I 0.0000 Buried
54 G I 0.0000 Buried
55 W I -0.2828 Soluble
56 I I 0.0000 Buried
57 N I -1.3284 Soluble
58 P I 0.0000 Buried
59 K I -2.5685 Soluble
62 T I -1.5102 Soluble
63 G I -1.5344 Soluble
64 Q I -1.7110 Soluble
65 P I -1.1116 Soluble
66 N I -1.4214 Soluble
67 N I -1.5217 Soluble
68 P I -1.9124 Soluble
69 R I -3.0348 Soluble
70 Q I -2.5824 Soluble
71 F I 0.0000 Buried
72 Q I -2.6273 Soluble
74 G I -1.8660 Soluble
75 R I -1.8568 Soluble
76 V I 0.0000 Buried
77 S I -1.0983 Soluble
78 L I 0.0000 Buried
79 T I -0.6794 Soluble
80 R I -1.4045 Soluble
81 H I -1.1928 Soluble
82 A I -0.8058 Soluble
83 S I -0.1994 Soluble
84 W I 0.2314 Aggregation-prone
85 D I -1.1098 Soluble
85A F I -0.2713 Soluble
85B D I -1.6973 Soluble
85C T I -1.1964 Soluble
85D Y I 0.0000 Buried
86 S I -0.7768 Soluble
87 F I 0.0000 Buried
88 Y I -0.7204 Soluble
89 M I 0.0000 Buried
90 D I -1.4280 Soluble
91 L I 0.0000 Buried
92 K I -2.2883 Soluble
93 A I -1.4982 Soluble
94 L I 0.0000 Buried
95 R I -3.1062 Soluble
96 S I -2.2342 Soluble
97 D I -2.4702 Soluble
98 D I 0.0000 Buried
99 T I -0.8601 Soluble
100 A I 0.0000 Buried
101 V I -0.5644 Soluble
102 Y I 0.0000 Buried
103 F I 0.0000 Buried
104 C I 0.0000 Buried
105 A I 0.0000 Buried
106 R I 0.0000 Buried
107 Q I -0.5311 Soluble
108 R I -0.9780 Soluble
109 S I -1.0561 Soluble
110 D I -1.6324 Soluble
112 Y I -0.3344 Soluble
113 W I -0.2927 Soluble
114 D I 0.0000 Buried
115 F I 0.0000 Buried
116 D I -0.6453 Soluble
117 V I -0.1593 Soluble
118 W I 0.0000 Buried
119 G I 0.0000 Buried
120 S I -0.8803 Soluble
121 G I -0.9011 Soluble
122 T I 0.0000 Buried
123 Q I -0.9826 Soluble
124 V I 0.0000 Buried
125 T I -0.2267 Soluble
126 V I -0.6822 Soluble
1 D K -1.8728 Soluble
2 I K -0.6770 Soluble
3 Q K -1.4715 Soluble
4 M K -0.9633 Soluble
5 T K -0.6888 Soluble
6 Q K -0.6062 Soluble
7 S K -0.5405 Soluble
8 P K -0.6188 Soluble
9 S K -0.8330 Soluble
10 S K -1.2497 Soluble
11 L K -0.9258 Soluble
12 S K -0.7990 Soluble
13 A K -0.1706 Soluble
14 S K 0.0526 Aggregation-prone
15 V K 0.9711 Aggregation-prone
16 G K -0.7454 Soluble
17 D K -1.1203 Soluble
18 T K -0.9771 Soluble
19 V K -0.5214 Soluble
20 T K -0.1494 Soluble
21 I K 0.0000 Buried
22 T K -0.6487 Soluble
23 C K 0.0000 Buried
24 Q K -2.1281 Soluble
25 A K 0.0000 Buried
27 N K -1.9971 Soluble
28 G K -0.5041 Soluble
38 Y K 0.7841 Aggregation-prone
39 L K 0.0000 Buried
40 N K 0.0000 Buried
41 W K 0.0000 Buried
42 Y K 0.0000 Buried
43 Q K 0.0000 Buried
44 Q K 0.0000 Buried
45 R K -2.2290 Soluble
46 R K -2.8745 Soluble
47 G K -2.5535 Soluble
48 K K -2.5917 Soluble
49 A K -1.6528 Soluble
50 P K 0.0000 Buried
51 K K -1.2737 Soluble
52 L K 0.0000 Buried
53 L K 0.0000 Buried
54 I K 0.0000 Buried
55 Y K -0.4218 Soluble
56 D K -0.7883 Soluble
57 G K -1.1396 Soluble
65 S K -1.8228 Soluble
66 K K -2.0355 Soluble
67 L K -1.0207 Soluble
68 E K -1.5000 Soluble
69 R K -2.2814 Soluble
70 G K -1.4076 Soluble
71 V K 0.0000 Buried
72 P K -0.6509 Soluble
74 S K -0.6688 Soluble
75 R K -1.1254 Soluble
76 F K 0.0000 Buried
77 S K -0.9601 Soluble
78 G K 0.0000 Buried
79 R K -2.9483 Soluble
80 R K -2.9605 Soluble
83 W K -1.0088 Soluble
84 G K -1.3919 Soluble
85 Q K -2.3723 Soluble
86 E K -2.7205 Soluble
87 Y K -2.0710 Soluble
88 N K -1.2960 Soluble
89 L K 0.0000 Buried
90 T K -0.7705 Soluble
91 I K 0.0000 Buried
92 N K -1.8230 Soluble
93 N K -1.9052 Soluble
94 L K 0.0000 Buried
95 Q K -0.9468 Soluble
96 P K -0.6641 Soluble
97 E K -1.6055 Soluble
98 D K 0.0000 Buried
99 I K -0.1670 Soluble
100 A K 0.0000 Buried
101 T K 0.0000 Buried
102 Y K 0.0000 Buried
103 F K 0.0000 Buried
104 C K 0.0000 Buried
105 Q K 0.0000 Buried
106 V K 0.0000 Buried
107 Y K 0.6874 Aggregation-prone
116 E K 0.0196 Aggregation-prone
117 F K 1.0083 Aggregation-prone
118 V K 0.0000 Buried
119 V K 0.1556 Aggregation-prone
120 P K -0.6972 Soluble
121 G K -0.8839 Soluble
122 T K 0.0000 Buried
123 R K -2.1676 Soluble
124 L K 0.0000 Buried
125 D K -1.5704 Soluble
126 L K 0.1451 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 -0.6404 4.1277 CSV PDB
4.5 -0.6872 3.8915 CSV PDB
5.0 -0.7421 3.6131 CSV PDB
5.5 -0.7961 3.3224 CSV PDB
6.0 -0.841 3.0347 CSV PDB
6.5 -0.8729 2.7487 CSV PDB
7.0 -0.8937 2.655 CSV PDB
7.5 -0.9078 2.6412 CSV PDB
8.0 -0.9175 2.6364 CSV PDB
8.5 -0.9217 2.6346 CSV PDB
9.0 -0.9167 2.6337 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH