Vebanvibart / 8wyj

A4DAB289_8wyj_D_F | Source PDB: 8wyj | Chains: D, F | Done
99.57
Yes
10 Å
Yes
Avg A4D Score
-0.5113
Max Score
1.5337
Min Score
-3.1045
Total Score
-118.11
Score CDR
-0.2373
Score non-CDR
-0.589

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGSSVKVSCKASGGTFRSHVISWVRQAPGQGLEWMGGFIPLFGTTIYAQAFQGRVMISADESTSTAYMELSSLRSEDTAVYFCARLFPNGDPNSPEDGFDIWGQGTLVTVSSDIQMTQSPSSLSASVGDRVTITCQASQDIGNYLNWYQQKPGKAPKLLIYDASHLETGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCQRYDPSYTFGQGTKVEIK input.pdb
Selected Chain(s) D (Heavy), F (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 -3.1045
Maximum Score 1.5337
Average Score -0.5113
Total Score -118.1141

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

Index Residue Chain A4D Score Classification
1 Q D -1.7343 Soluble
2 V D 0.0000 Buried
3 Q D -1.6851 Soluble
4 L D 0.0000 Buried
5 V D 0.2054 Aggregation-prone
6 Q D -0.3553 Soluble
7 S D -0.6994 Soluble
8 G D -0.3664 Soluble
9 A D 0.3277 Aggregation-prone
11 E D 0.1188 Aggregation-prone
12 V D 1.2059 Aggregation-prone
13 K D -0.3541 Soluble
14 K D -1.7405 Soluble
15 P D -1.9661 Soluble
16 G D -1.6463 Soluble
17 S D -1.2266 Soluble
18 S D -1.5819 Soluble
19 V D 0.0000 Buried
20 K D -1.8150 Soluble
21 V D 0.0000 Buried
22 S D -0.4715 Soluble
23 C D 0.0000 Buried
24 K D -0.3714 Soluble
25 A D 0.0000 Buried
26 S D -0.4910 Soluble
27 G D -0.7514 Soluble
28 G D 0.0672 Aggregation-prone
29 T D 0.3721 Aggregation-prone
30 F D 1.5337 Aggregation-prone
35 R D 0.0000 Buried
36 S D -0.1669 Soluble
37 H D -0.6939 Soluble
38 V D 0.0000 Buried
39 I D 0.0000 Buried
40 S D 0.0000 Buried
41 W D 0.0000 Buried
42 V D 0.0000 Buried
43 R D -0.4967 Soluble
44 Q D 0.0000 Buried
45 A D 0.0000 Buried
46 P D -1.0144 Soluble
47 G D -1.1939 Soluble
48 Q D -1.9158 Soluble
49 G D -1.4757 Soluble
50 L D 0.0000 Buried
51 E D -1.2112 Soluble
52 W D 0.0000 Buried
53 M D 0.0000 Buried
54 G D 0.0000 Buried
55 G D 0.0000 Buried
56 F D 0.5488 Aggregation-prone
57 I D 0.0774 Aggregation-prone
58 P D -0.2541 Soluble
59 L D 0.0000 Buried
62 F D -0.6146 Soluble
63 G D 0.0000 Buried
64 T D -0.1373 Soluble
65 T D 0.8792 Aggregation-prone
66 I D 1.3849 Aggregation-prone
67 Y D 1.2383 Aggregation-prone
68 A D 0.4950 Aggregation-prone
69 Q D -0.2729 Soluble
70 A D 0.2590 Aggregation-prone
71 F D 1.3192 Aggregation-prone
72 Q D 0.0340 Aggregation-prone
74 G D -0.6836 Soluble
75 R D -1.8244 Soluble
76 V D 0.0000 Buried
77 M D -0.3928 Soluble
78 I D 0.0000 Buried
79 S D -0.5448 Soluble
80 A D -0.7034 Soluble
81 D D -1.7107 Soluble
82 E D 0.0000 Buried
83 S D -0.1945 Soluble
84 T D -0.0958 Soluble
85 S D 0.2038 Aggregation-prone
86 T D -0.0355 Soluble
87 A D 0.0000 Buried
88 Y D -0.1481 Soluble
89 M D 0.0000 Buried
90 E D -1.1775 Soluble
91 L D 0.0000 Buried
92 S D -1.5363 Soluble
93 S D -1.6125 Soluble
94 L D 0.0000 Buried
95 R D -3.1045 Soluble
96 S D -2.5280 Soluble
97 E D -2.6604 Soluble
98 D D -1.8845 Soluble
99 T D 0.0000 Buried
100 A D 0.0982 Aggregation-prone
101 V D 0.0975 Aggregation-prone
102 Y D 0.0000 Buried
103 F D 0.0000 Buried
104 C D 0.0000 Buried
105 A D 0.0000 Buried
106 R D -0.6905 Soluble
107 L D 0.0000 Buried
108 F D -0.4025 Soluble
109 P D 0.0000 Buried
110 N D -0.8924 Soluble
111 G D -0.9287 Soluble
111A D D -1.3489 Soluble
111B P D -1.2187 Soluble
112C N D -1.4680 Soluble
112B S D -0.9387 Soluble
112A P D -0.9146 Soluble
112 E D 0.0000 Buried
113 D D -0.9342 Soluble
114 G D 0.0000 Buried
115 F D 0.0000 Buried
116 D D -0.9555 Soluble
117 I D 0.0000 Buried
118 W D 0.0000 Buried
119 G D -1.0759 Soluble
120 Q D -1.6000 Soluble
121 G D -0.7275 Soluble
122 T D 0.0000 Buried
123 L D 0.8528 Aggregation-prone
124 V D 0.0000 Buried
125 T D 0.2960 Aggregation-prone
126 V D 0.8844 Aggregation-prone
127 S D 0.2243 Aggregation-prone
128 S D -0.0944 Soluble
1 D F -2.3253 Soluble
2 I F -1.6660 Soluble
3 Q F -2.0861 Soluble
4 M F 0.0000 Buried
5 T F -1.3053 Soluble
6 Q F -1.3764 Soluble
7 S F -1.0696 Soluble
8 P F -0.6525 Soluble
9 S F -0.8335 Soluble
10 S F -0.8767 Soluble
11 L F -0.5364 Soluble
12 S F -1.1281 Soluble
13 A F -0.9704 Soluble
14 S F 0.0000 Buried
15 V F -1.1923 Soluble
16 G F -1.5393 Soluble
17 D F -2.3125 Soluble
18 R F -1.9787 Soluble
19 V F 0.0000 Buried
20 T F -0.2956 Soluble
21 I F 0.0000 Buried
22 T F -0.4956 Soluble
23 C F 0.0000 Buried
24 Q F -1.1510 Soluble
25 A F -0.8657 Soluble
26 S F -1.1348 Soluble
27 Q F -1.2590 Soluble
28 D F 0.0000 Buried
29 I F 1.2557 Aggregation-prone
36 G F 0.1757 Aggregation-prone
37 N F -0.1282 Soluble
38 Y F 0.2369 Aggregation-prone
39 L F 0.0000 Buried
40 N F 0.0000 Buried
41 W F 0.0000 Buried
42 Y F 0.0000 Buried
43 Q F 0.0000 Buried
44 Q F -1.2070 Soluble
45 K F -1.4594 Soluble
46 P F -1.2917 Soluble
47 G F -1.4954 Soluble
48 K F -2.4953 Soluble
49 A F -1.7196 Soluble
50 P F 0.0000 Buried
51 K F -1.7652 Soluble
52 L F 0.0000 Buried
53 L F 0.0000 Buried
54 I F 0.0000 Buried
55 Y F 0.0000 Buried
56 D F 0.0000 Buried
57 A F -0.3089 Soluble
65 S F -0.5241 Soluble
66 H F -0.7014 Soluble
67 L F -0.1177 Soluble
68 E F -0.4928 Soluble
69 T F -0.3238 Soluble
70 G F -0.3232 Soluble
71 V F -0.2062 Soluble
72 P F 0.0000 Buried
74 S F -0.3600 Soluble
75 R F -0.6743 Soluble
76 F F 0.0000 Buried
77 S F -0.4648 Soluble
78 G F -0.2955 Soluble
79 S F -0.4502 Soluble
80 G F -0.5000 Soluble
83 S F -0.4178 Soluble
84 G F -0.4780 Soluble
85 T F -0.3944 Soluble
86 D F -0.6261 Soluble
87 F F -0.4399 Soluble
88 T F -0.3512 Soluble
89 F F 0.0000 Buried
90 T F -0.4901 Soluble
91 I F 0.0000 Buried
92 S F -1.2901 Soluble
93 S F -1.3251 Soluble
94 L F 0.0000 Buried
95 Q F -2.1179 Soluble
96 P F -1.8157 Soluble
97 E F -2.1337 Soluble
98 D F 0.0000 Buried
99 I F -1.1024 Soluble
100 A F 0.0000 Buried
101 T F -1.0425 Soluble
102 Y F 0.0000 Buried
103 Y F 0.0000 Buried
104 C F 0.0000 Buried
105 Q F 0.0000 Buried
106 R F 0.0000 Buried
107 Y F 0.0000 Buried
108 D F -0.4947 Soluble
114 P F -0.1790 Soluble
115 S F -0.4352 Soluble
116 Y F 0.0000 Buried
117 T F -0.6088 Soluble
118 F F 0.0000 Buried
119 G F -1.3253 Soluble
120 Q F -2.0123 Soluble
121 G F -1.4083 Soluble
122 T F 0.0000 Buried
123 K F -1.9335 Soluble
124 V F 0.0000 Buried
125 E F -1.9589 Soluble
126 I F 0.0000 Buried
127 K F -2.0381 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
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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 -0.3732 3.5573 CSV PDB
4.5 -0.406 3.5523 CSV PDB
5.0 -0.4433 3.5471 CSV PDB
5.5 -0.4771 3.5419 CSV PDB
6.0 -0.4991 3.5465 CSV PDB
6.5 -0.5041 3.5871 CSV PDB
7.0 -0.4944 3.6283 CSV PDB
7.5 -0.4765 3.6628 CSV PDB
8.0 -0.4547 3.6916 CSV PDB
8.5 -0.4289 3.7178 CSV PDB
9.0 -0.3988 3.7431 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH