Vebanvibart / 8wyj

A4DAB289_8wyj_H_J | Source PDB: 8wyj | Chains: H, J | Done
99.57
Yes
10 Å
Yes
Avg A4D Score
-0.5987
Max Score
1.622
Min Score
-2.513
Total Score
-138.3
Score CDR
-0.1925
Score non-CDR
-0.7138

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGSSVKVSCKASGGTFRSHVISWVRQAPGQGLEWMGGFIPLFGTTIYAQAFQGRVMISADESTSTAYMELSSLRSEDTAVYFCARLFPNGDPNSPEDGFDIWGQGTLVTVSSDIQMTQSPSSLSASVGDRVTITCQASQDIGNYLNWYQQKPGKAPKLLIYDASHLETGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCQRYDPSYTFGQGTKVEIK input.pdb
Selected Chain(s) H (Heavy), J (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 -2.513
Maximum Score 1.622
Average Score -0.5987
Total Score -138.3003

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

Index Residue Chain A4D Score Classification
1 Q H -1.6614 Soluble
2 V H 0.0000 Buried
3 Q H -1.5891 Soluble
4 L H 0.0000 Buried
5 V H 0.2081 Aggregation-prone
6 Q H -0.3365 Soluble
7 S H -0.7061 Soluble
8 G H -0.3548 Soluble
9 A H 0.1087 Aggregation-prone
11 E H -0.1224 Soluble
12 V H 0.6544 Aggregation-prone
13 K H -1.3371 Soluble
14 K H -2.3374 Soluble
15 P H -2.1074 Soluble
16 G H -1.5404 Soluble
17 S H -1.2343 Soluble
18 S H -1.7331 Soluble
19 V H -1.6732 Soluble
20 K H -2.2338 Soluble
21 V H 0.0000 Buried
22 S H -0.7594 Soluble
23 C H 0.0000 Buried
24 K H -0.6435 Soluble
25 A H 0.0000 Buried
26 S H -0.5175 Soluble
27 G H -0.7700 Soluble
28 G H -0.0541 Soluble
29 T H 0.3125 Aggregation-prone
30 F H 1.6220 Aggregation-prone
35 R H 0.0000 Buried
36 S H 0.1455 Aggregation-prone
37 H H -0.6786 Soluble
38 V H 0.0000 Buried
39 I H 0.0000 Buried
40 S H 0.0000 Buried
41 W H 0.0000 Buried
42 V H 0.0000 Buried
43 R H 0.0000 Buried
44 Q H -0.5419 Soluble
45 A H -1.0546 Soluble
46 P H -1.0213 Soluble
47 G H -1.3414 Soluble
48 Q H -1.8906 Soluble
49 G H -1.3424 Soluble
50 L H 0.0000 Buried
51 E H -0.7914 Soluble
52 W H 0.0000 Buried
53 M H 0.0000 Buried
54 G H 0.0000 Buried
55 G H 0.0000 Buried
56 F H 0.3979 Aggregation-prone
57 I H 0.0563 Aggregation-prone
58 P H -0.2839 Soluble
59 L H 0.0000 Buried
62 F H -0.2664 Soluble
63 G H 0.0000 Buried
64 T H -0.1044 Soluble
65 T H 0.3509 Aggregation-prone
66 I H 0.5263 Aggregation-prone
67 Y H 0.0000 Buried
68 A H -0.4398 Soluble
69 Q H -1.1227 Soluble
70 A H -0.7116 Soluble
71 F H -0.7107 Soluble
72 Q H -1.4553 Soluble
74 G H -1.1821 Soluble
75 R H -1.6972 Soluble
76 V H 0.0000 Buried
77 M H -0.7098 Soluble
78 I H 0.0000 Buried
79 S H -0.6851 Soluble
80 A H 0.0000 Buried
81 D H -1.8969 Soluble
82 E H 0.0000 Buried
83 S H -0.3536 Soluble
84 T H -0.3709 Soluble
85 S H -0.1691 Soluble
86 T H -0.3694 Soluble
87 A H 0.0000 Buried
88 Y H -0.9732 Soluble
89 M H 0.0000 Buried
90 E H -2.1802 Soluble
91 L H 0.0000 Buried
92 S H -1.5676 Soluble
93 S H -1.4110 Soluble
94 L H 0.0000 Buried
95 R H -2.2479 Soluble
96 S H -1.7409 Soluble
97 E H -2.2141 Soluble
98 D H 0.0000 Buried
99 T H -0.8743 Soluble
100 A H 0.0000 Buried
101 V H 0.2648 Aggregation-prone
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 L H 0.0000 Buried
108 F H -0.1036 Soluble
109 P H 0.0000 Buried
110 N H 0.0000 Buried
111 G H -1.2249 Soluble
111A D H -1.2089 Soluble
111B P H -1.0865 Soluble
112C N H -1.3275 Soluble
112B S H -0.9266 Soluble
112A P H -0.9447 Soluble
112 E H 0.0000 Buried
113 D H -0.7930 Soluble
114 G H 0.0000 Buried
115 F H 0.0000 Buried
116 D H -0.7303 Soluble
117 I H -0.6463 Soluble
118 W H 0.0000 Buried
119 G H -0.8761 Soluble
120 Q H -1.4684 Soluble
121 G H -0.7445 Soluble
122 T H 0.0000 Buried
123 L H 0.8778 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.0418 Soluble
126 V H 0.0359 Aggregation-prone
127 S H -0.0897 Soluble
128 S H -0.1010 Soluble
1 D J -2.0716 Soluble
2 I J -1.1870 Soluble
3 Q J -1.4648 Soluble
4 M J 0.0000 Buried
5 T J -1.1515 Soluble
6 Q J -1.4254 Soluble
7 S J -1.0484 Soluble
8 P J -0.8614 Soluble
9 S J -0.6519 Soluble
10 S J -0.9164 Soluble
11 L J -0.6071 Soluble
12 S J -1.1186 Soluble
13 A J 0.0000 Buried
14 S J -1.1123 Soluble
15 V J -0.6320 Soluble
16 G J -1.1834 Soluble
17 D J -1.7514 Soluble
18 R J -1.4656 Soluble
19 V J 0.0000 Buried
20 T J -0.2103 Soluble
21 I J 0.0000 Buried
22 T J -0.5130 Soluble
23 C J 0.0000 Buried
24 Q J -1.1791 Soluble
25 A J 0.0000 Buried
26 S J -0.9520 Soluble
27 Q J -1.1318 Soluble
28 D J 0.0000 Buried
29 I J 1.2399 Aggregation-prone
36 G J 0.1853 Aggregation-prone
37 N J -0.1411 Soluble
38 Y J 0.2965 Aggregation-prone
39 L J 0.0000 Buried
40 N J 0.0000 Buried
41 W J 0.0000 Buried
42 Y J 0.0000 Buried
43 Q J 0.0000 Buried
44 Q J -1.3507 Soluble
45 K J -1.7551 Soluble
46 P J -1.4774 Soluble
47 G J -1.4893 Soluble
48 K J -2.5130 Soluble
49 A J -1.7586 Soluble
50 P J 0.0000 Buried
51 K J -1.6517 Soluble
52 L J 0.0000 Buried
53 L J 0.0000 Buried
54 I J 0.0000 Buried
55 Y J 0.0000 Buried
56 D J 0.0000 Buried
57 A J -0.2272 Soluble
65 S J -0.3768 Soluble
66 H J -0.3999 Soluble
67 L J -0.2522 Soluble
68 E J -0.7726 Soluble
69 T J -0.6639 Soluble
70 G J -0.7623 Soluble
71 V J -0.6958 Soluble
72 P J -0.9463 Soluble
74 S J -1.2646 Soluble
75 R J -2.0557 Soluble
76 F J 0.0000 Buried
77 S J -0.8210 Soluble
78 G J -0.4957 Soluble
79 S J -0.5019 Soluble
80 G J -0.5956 Soluble
83 S J -0.5080 Soluble
84 G J -0.5772 Soluble
85 T J -0.5200 Soluble
86 D J -0.9312 Soluble
87 F J -0.5996 Soluble
88 T J -0.3628 Soluble
89 F J 0.0000 Buried
90 T J -0.5917 Soluble
91 I J 0.0000 Buried
92 S J -1.5455 Soluble
93 S J -1.3460 Soluble
94 L J 0.0000 Buried
95 Q J -2.0892 Soluble
96 P J -1.7061 Soluble
97 E J -2.2739 Soluble
98 D J -1.5539 Soluble
99 I J -1.5898 Soluble
100 A J 0.0000 Buried
101 T J -1.3258 Soluble
102 Y J 0.0000 Buried
103 Y J 0.0000 Buried
104 C J 0.0000 Buried
105 Q J 0.0000 Buried
106 R J 0.0000 Buried
107 Y J 0.0000 Buried
108 D J -0.6976 Soluble
114 P J -0.2187 Soluble
115 S J -0.1773 Soluble
116 Y J 0.0000 Buried
117 T J -0.3034 Soluble
118 F J 0.0000 Buried
119 G J -1.1612 Soluble
120 Q J -2.0024 Soluble
121 G J -1.3792 Soluble
122 T J 0.0000 Buried
123 K J -2.2701 Soluble
124 V J 0.0000 Buried
125 E J -2.2952 Soluble
126 I J -1.7951 Soluble
127 K J -1.7332 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 -0.5289 3.5109 CSV PDB
4.5 -0.5628 3.5126 CSV PDB
5.0 -0.6031 3.5176 CSV PDB
5.5 -0.6389 3.5304 CSV PDB
6.0 -0.6597 3.5559 CSV PDB
6.5 -0.6599 3.5896 CSV PDB
7.0 -0.6427 3.6178 CSV PDB
7.5 -0.6159 3.6331 CSV PDB
8.0 -0.5847 3.6393 CSV PDB
8.5 -0.5504 3.6415 CSV PDB
9.0 -0.5123 3.6422 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH