Vebanvibart / 8wyj

A4DAB289_8wyj_Q_R | Source PDB: 8wyj | Chains: Q, R | Done
99.57
Yes
10 Å
Yes
Avg A4D Score
-0.5377
Max Score
1.8533
Min Score
-2.9074
Total Score
-124.21
Score CDR
-0.2334
Score non-CDR
-0.624

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGSSVKVSCKASGGTFRSHVISWVRQAPGQGLEWMGGFIPLFGTTIYAQAFQGRVMISADESTSTAYMELSSLRSEDTAVYFCARLFPNGDPNSPEDGFDIWGQGTLVTVSSDIQMTQSPSSLSASVGDRVTITCQASQDIGNYLNWYQQKPGKAPKLLIYDASHLETGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCQRYDPSYTFGQGTKVEIK input.pdb
Selected Chain(s) Q (Heavy), R (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 -2.9074
Maximum Score 1.8533
Average Score -0.5377
Total Score -124.2147

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

Index Residue Chain A4D Score Classification
1 Q Q -1.6753 Soluble
2 V Q 0.0000 Buried
3 Q Q -1.6005 Soluble
4 L Q 0.0000 Buried
5 V Q 0.2171 Aggregation-prone
6 Q Q -0.3103 Soluble
7 S Q -0.6717 Soluble
8 G Q -0.3239 Soluble
9 A Q 0.4030 Aggregation-prone
11 E Q 0.2098 Aggregation-prone
12 V Q 1.2231 Aggregation-prone
13 K Q -0.5051 Soluble
14 K Q -1.8926 Soluble
15 P Q -1.8475 Soluble
16 G Q -1.5401 Soluble
17 S Q -1.1941 Soluble
18 S Q -1.6371 Soluble
19 V Q 0.0000 Buried
20 K Q -2.3153 Soluble
21 V Q 0.0000 Buried
22 S Q -0.7266 Soluble
23 C Q 0.0000 Buried
24 K Q -0.6002 Soluble
25 A Q 0.0000 Buried
26 S Q -0.5154 Soluble
27 G Q -0.7769 Soluble
28 G Q -0.0749 Soluble
29 T Q 0.3415 Aggregation-prone
30 F Q 1.6399 Aggregation-prone
35 R Q 0.0000 Buried
36 S Q -0.0240 Soluble
37 H Q -0.6610 Soluble
38 V Q 0.0000 Buried
39 I Q 0.0000 Buried
40 S Q 0.0000 Buried
41 W Q 0.0000 Buried
42 V Q 0.0000 Buried
43 R Q -0.7292 Soluble
44 Q Q 0.0000 Buried
45 A Q -1.2631 Soluble
46 P Q -1.0034 Soluble
47 G Q -1.3336 Soluble
48 Q Q -2.0923 Soluble
49 G Q -1.6298 Soluble
50 L Q 0.0000 Buried
51 E Q -1.9409 Soluble
52 W Q -0.5836 Soluble
53 M Q 0.0000 Buried
54 G Q 0.0000 Buried
55 G Q 0.0000 Buried
56 F Q 1.3803 Aggregation-prone
57 I Q 1.8533 Aggregation-prone
58 P Q 1.0157 Aggregation-prone
59 L Q 0.2783 Aggregation-prone
62 F Q -0.2455 Soluble
63 G Q 0.0000 Buried
64 T Q -0.1093 Soluble
65 T Q 0.2544 Aggregation-prone
66 I Q 0.0000 Buried
67 Y Q 0.0000 Buried
68 A Q -0.3346 Soluble
69 Q Q -0.9145 Soluble
70 A Q -0.2320 Soluble
71 F Q 0.6443 Aggregation-prone
72 Q Q -0.7319 Soluble
74 G Q -0.6924 Soluble
75 R Q -0.9118 Soluble
76 V Q 0.0000 Buried
77 M Q -0.4750 Soluble
78 I Q 0.0000 Buried
79 S Q -0.9740 Soluble
80 A Q 0.0000 Buried
81 D Q -1.8690 Soluble
82 E Q 0.0000 Buried
83 S Q -0.2119 Soluble
84 T Q -0.2593 Soluble
85 S Q -0.1073 Soluble
86 T Q -0.3491 Soluble
87 A Q 0.0000 Buried
88 Y Q -0.9460 Soluble
89 M Q 0.0000 Buried
90 E Q -1.9530 Soluble
91 L Q 0.0000 Buried
92 S Q -1.2632 Soluble
93 S Q -1.4656 Soluble
94 L Q 0.0000 Buried
95 R Q -2.9074 Soluble
96 S Q -2.2093 Soluble
97 E Q -2.4100 Soluble
98 D Q 0.0000 Buried
99 T Q -0.7896 Soluble
100 A Q 0.0000 Buried
101 V Q 0.3458 Aggregation-prone
102 Y Q 0.0000 Buried
103 F Q 0.0000 Buried
104 C Q 0.0000 Buried
105 A Q 0.0000 Buried
106 R Q -0.4656 Soluble
107 L Q 0.0000 Buried
108 F Q -0.4975 Soluble
109 P Q 0.0000 Buried
110 N Q -1.1433 Soluble
111 G Q -1.4361 Soluble
111A D Q -1.6000 Soluble
111B P Q -1.4464 Soluble
112C N Q -1.8736 Soluble
112B S Q -1.2948 Soluble
112A P Q -1.1687 Soluble
112 E Q 0.0000 Buried
113 D Q -1.2339 Soluble
114 G Q 0.0000 Buried
115 F Q 0.0000 Buried
116 D Q -0.6484 Soluble
117 I Q -0.5722 Soluble
118 W Q 0.0000 Buried
119 G Q -0.8833 Soluble
120 Q Q -1.5334 Soluble
121 G Q -0.6894 Soluble
122 T Q 0.0000 Buried
123 L Q 1.0927 Aggregation-prone
124 V Q 0.0000 Buried
125 T Q 0.2990 Aggregation-prone
126 V Q 0.4731 Aggregation-prone
127 S Q 0.0152 Aggregation-prone
128 S Q -0.1898 Soluble
1 D R -2.2178 Soluble
2 I R -1.4504 Soluble
3 Q R -1.7508 Soluble
4 M R 0.0000 Buried
5 T R -0.8518 Soluble
6 Q R 0.0000 Buried
7 S R -0.7256 Soluble
8 P R -0.9505 Soluble
9 S R -0.5924 Soluble
10 S R -1.1918 Soluble
11 L R -0.8863 Soluble
12 S R -1.6341 Soluble
13 A R 0.0000 Buried
14 S R -1.2414 Soluble
15 V R -0.3196 Soluble
16 G R -1.1348 Soluble
17 D R -2.5223 Soluble
18 R R -2.3310 Soluble
19 V R 0.0000 Buried
20 T R -0.3369 Soluble
21 I R 0.0000 Buried
22 T R -0.3018 Soluble
23 C R 0.0000 Buried
24 Q R -0.8553 Soluble
25 A R 0.0000 Buried
26 S R -1.0840 Soluble
27 Q R -1.1417 Soluble
28 D R 0.0000 Buried
29 I R 1.1409 Aggregation-prone
36 G R 0.0575 Aggregation-prone
37 N R -0.6062 Soluble
38 Y R -0.0697 Soluble
39 L R 0.0000 Buried
40 N R 0.0000 Buried
41 W R 0.0000 Buried
42 Y R 0.0000 Buried
43 Q R 0.0000 Buried
44 Q R -1.1418 Soluble
45 K R -1.5107 Soluble
46 P R -1.3586 Soluble
47 G R -1.5091 Soluble
48 K R -2.4460 Soluble
49 A R -1.5999 Soluble
50 P R 0.0000 Buried
51 K R -1.2525 Soluble
52 L R 0.0000 Buried
53 L R 0.0000 Buried
54 I R 0.0000 Buried
55 Y R 0.0000 Buried
56 D R 0.0000 Buried
57 A R -0.4596 Soluble
65 S R -0.6834 Soluble
66 H R -1.0109 Soluble
67 L R -0.3508 Soluble
68 E R 0.0000 Buried
69 T R -0.5600 Soluble
70 G R -0.5192 Soluble
71 V R -0.2678 Soluble
72 P R -0.4067 Soluble
74 S R -0.4186 Soluble
75 R R -0.6798 Soluble
76 F R 0.0000 Buried
77 S R -0.4894 Soluble
78 G R -0.3917 Soluble
79 S R -0.4419 Soluble
80 G R -0.5309 Soluble
83 S R -0.6455 Soluble
84 G R -0.5518 Soluble
85 T R -0.4921 Soluble
86 D R -0.6724 Soluble
87 F R -0.4214 Soluble
88 T R -0.3147 Soluble
89 F R 0.0000 Buried
90 T R -0.5250 Soluble
91 I R 0.0000 Buried
92 S R -1.5601 Soluble
93 S R -1.3357 Soluble
94 L R 0.0000 Buried
95 Q R -1.4242 Soluble
96 P R -1.3851 Soluble
97 E R -2.0639 Soluble
98 D R 0.0000 Buried
99 I R -1.3999 Soluble
100 A R 0.0000 Buried
101 T R -1.1733 Soluble
102 Y R 0.0000 Buried
103 Y R 0.0000 Buried
104 C R 0.0000 Buried
105 Q R 0.0000 Buried
106 R R 0.0000 Buried
107 Y R 0.0000 Buried
108 D R -0.7236 Soluble
114 P R 0.0682 Aggregation-prone
115 S R -0.3739 Soluble
116 Y R 0.0000 Buried
117 T R -0.6014 Soluble
118 F R -0.7792 Soluble
119 G R 0.0000 Buried
120 Q R -1.8554 Soluble
121 G R -1.3239 Soluble
122 T R 0.0000 Buried
123 K R -2.3128 Soluble
124 V R 0.0000 Buried
125 E R -2.4178 Soluble
126 I R 0.0000 Buried
127 K R -2.0827 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 -0.363 3.9678 CSV PDB
4.5 -0.3983 3.9185 CSV PDB
5.0 -0.4424 3.863 CSV PDB
5.5 -0.4852 3.8097 CSV PDB
6.0 -0.5162 3.7658 CSV PDB
6.5 -0.5288 3.7403 CSV PDB
7.0 -0.5248 3.7731 CSV PDB
7.5 -0.5121 3.7928 CSV PDB
8.0 -0.4956 3.8012 CSV PDB
8.5 -0.476 3.8042 CSV PDB
9.0 -0.4524 3.8052 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH