Tazlestobart / 5xj3

A4DAB258_5xj3_G_H | Source PDB: 5xj3 | Chains: G, H | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6227
Max Score
2.1487
Min Score
-3.5123
Total Score
-140.1
Score CDR
-0.1722
Score non-CDR
-0.7384

Calculation Parameters

Chain Sequence(s) QVQLVESGGGVVQPGRSLRLSCAASGFTFSSYTMHWVRQAPGKGLEWVTFISYDGNNKYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAIYYCARTGWLGPFDYWGQGTLVTVSEIVLTQSPGTLSLSPGERATLSCRASQSVGSSYLAWYQQKPGQAPRLLIYGAFSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYGSSPWTFGQGTKVEIK input.pdb
Selected Chain(s) G (Heavy), H (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 -3.5123
Maximum Score 2.1487
Average Score -0.6227
Total Score -140.0988

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

Index Residue Chain A4D Score Classification
1 Q G -1.3201 Soluble
2 V G -0.5994 Soluble
3 Q G -1.1828 Soluble
4 L G 0.0000 Buried
5 V G -0.0762 Soluble
6 E G 0.0000 Buried
7 S G -0.4893 Soluble
8 G G -0.7621 Soluble
9 G G 0.1493 Aggregation-prone
11 G G 0.9588 Aggregation-prone
12 V G 1.6650 Aggregation-prone
13 V G -0.3165 Soluble
14 Q G -1.8064 Soluble
15 P G -2.3869 Soluble
16 G G -2.3617 Soluble
17 R G -2.9383 Soluble
18 S G -2.3463 Soluble
19 L G -1.4013 Soluble
20 R G -2.1592 Soluble
21 L G 0.0000 Buried
22 S G -0.5962 Soluble
23 C G 0.0000 Buried
24 A G -0.4161 Soluble
25 A G 0.0000 Buried
26 S G -0.6774 Soluble
27 G G -0.7028 Soluble
28 F G -0.2700 Soluble
29 T G -0.1538 Soluble
30 F G 0.0000 Buried
35 S G -0.5711 Soluble
36 S G -0.0065 Soluble
37 Y G 0.0000 Buried
38 T G 0.2011 Aggregation-prone
39 M G 0.0000 Buried
40 H G 0.0000 Buried
41 W G 0.0000 Buried
42 V G 0.0000 Buried
43 R G 0.0000 Buried
44 Q G -0.6334 Soluble
45 A G -1.0028 Soluble
46 P G -0.8463 Soluble
47 G G -1.4628 Soluble
48 K G -2.3914 Soluble
49 G G -1.6091 Soluble
50 L G 0.0000 Buried
51 E G -1.1257 Soluble
52 W G 0.0000 Buried
53 V G 0.0000 Buried
54 T G 0.0000 Buried
55 F G 0.0791 Aggregation-prone
56 I G 0.0000 Buried
57 S G -0.8694 Soluble
58 Y G -0.4142 Soluble
59 D G -2.1032 Soluble
62 G G -1.9753 Soluble
63 N G -2.5305 Soluble
64 N G -2.2511 Soluble
65 K G -1.2645 Soluble
66 Y G -0.1016 Soluble
67 Y G -0.4372 Soluble
68 A G -0.9898 Soluble
69 D G -2.0933 Soluble
70 S G -1.5005 Soluble
71 V G 0.0000 Buried
72 K G -2.4017 Soluble
74 G G -1.6349 Soluble
75 R G -1.7839 Soluble
76 F G 0.0000 Buried
77 T G -1.0725 Soluble
78 I G 0.0000 Buried
79 S G -0.6137 Soluble
80 R G -1.0723 Soluble
81 D G -1.4989 Soluble
82 N G -1.6022 Soluble
83 S G -1.4872 Soluble
84 K G -2.2072 Soluble
85 N G -1.5670 Soluble
86 T G 0.0000 Buried
87 L G 0.0000 Buried
88 Y G -0.6014 Soluble
89 L G 0.0000 Buried
90 Q G -1.6565 Soluble
91 M G 0.0000 Buried
92 N G -2.6187 Soluble
93 S G -2.0127 Soluble
94 L G 0.0000 Buried
95 R G -2.7887 Soluble
96 A G -1.6236 Soluble
97 E G -1.7769 Soluble
98 D G 0.0000 Buried
99 T G -0.3335 Soluble
100 A G 0.0000 Buried
101 I G 0.7098 Aggregation-prone
102 Y G 0.0000 Buried
103 Y G 0.0000 Buried
104 C G 0.0000 Buried
105 A G 0.0000 Buried
106 R G 0.0000 Buried
107 T G 0.5940 Aggregation-prone
108 G G 1.0775 Aggregation-prone
109 W G 1.8347 Aggregation-prone
110 L G 2.1487 Aggregation-prone
113 G G 1.0864 Aggregation-prone
114 P G 0.0000 Buried
115 F G 0.0000 Buried
116 D G 0.2574 Aggregation-prone
117 Y G 0.4062 Aggregation-prone
118 W G -0.0677 Soluble
119 G G 0.0000 Buried
120 Q G -1.3534 Soluble
121 G G -0.3140 Soluble
122 T G 0.4047 Aggregation-prone
123 L G 1.5146 Aggregation-prone
124 V G 0.0000 Buried
125 T G 0.3583 Aggregation-prone
126 V G 0.0000 Buried
127 S G -0.6251 Soluble
1 E H -1.4498 Soluble
2 I H -0.1243 Soluble
3 V H 0.8255 Aggregation-prone
4 L H 0.0000 Buried
5 T H -0.7112 Soluble
6 Q H 0.0000 Buried
7 S H -0.8675 Soluble
8 P H -0.5064 Soluble
9 G H -0.9133 Soluble
10 T H -0.6885 Soluble
11 L H -0.3571 Soluble
12 S H -0.7367 Soluble
13 L H -1.0317 Soluble
14 S H -1.8631 Soluble
15 P H -2.1873 Soluble
16 G H -2.2568 Soluble
17 E H -2.8681 Soluble
18 R H -3.0525 Soluble
19 A H 0.0000 Buried
20 T H -0.6650 Soluble
21 L H 0.0000 Buried
22 S H -0.8742 Soluble
23 C H 0.0000 Buried
24 R H -2.2367 Soluble
25 A H 0.0000 Buried
26 S H -0.8875 Soluble
27 Q H -1.6472 Soluble
28 S H -1.3655 Soluble
29 V H 0.0000 Buried
30 G H -0.6158 Soluble
36 S H -0.1773 Soluble
37 S H 0.4331 Aggregation-prone
38 Y H 0.7060 Aggregation-prone
39 L H 0.0000 Buried
40 A H 0.0000 Buried
41 W H 0.0000 Buried
42 Y H 0.0000 Buried
43 Q H 0.0000 Buried
44 Q H 0.0000 Buried
45 K H -1.4102 Soluble
46 P H -0.9575 Soluble
47 G H -1.4524 Soluble
48 Q H -2.0748 Soluble
49 A H -1.2632 Soluble
50 P H 0.0000 Buried
51 R H -0.9972 Soluble
52 L H 0.0000 Buried
53 L H 0.0000 Buried
54 I H 0.0000 Buried
55 Y H 0.7287 Aggregation-prone
56 G H 0.7785 Aggregation-prone
57 A H 0.0000 Buried
65 F H 1.5136 Aggregation-prone
66 S H 0.3389 Aggregation-prone
67 R H -0.8140 Soluble
68 A H -0.4649 Soluble
69 T H -0.5343 Soluble
70 G H -0.7629 Soluble
71 I H -0.8591 Soluble
72 P H -1.1809 Soluble
74 D H -2.3377 Soluble
75 R H -2.0404 Soluble
76 F H 0.0000 Buried
77 S H -0.3807 Soluble
78 G H 0.3720 Aggregation-prone
79 S H 0.0838 Aggregation-prone
80 G H -0.6897 Soluble
83 S H -1.1337 Soluble
84 G H -1.3119 Soluble
85 T H -1.8528 Soluble
86 D H -2.4510 Soluble
87 F H 0.0000 Buried
88 T H -0.5411 Soluble
89 L H 0.0000 Buried
90 T H -0.7953 Soluble
91 I H 0.0000 Buried
92 S H -2.5688 Soluble
93 R H -3.5123 Soluble
94 L H 0.0000 Buried
95 E H -2.4720 Soluble
96 P H -2.0537 Soluble
97 E H -2.1518 Soluble
98 D H 0.0000 Buried
99 F H -0.8289 Soluble
100 A H 0.0000 Buried
101 V H -0.4034 Soluble
102 Y H 0.0000 Buried
103 Y H 0.0000 Buried
104 C H 0.0000 Buried
105 Q H 0.0000 Buried
106 Q H 0.0000 Buried
107 Y H 0.0000 Buried
108 G H -0.2357 Soluble
109 S H -0.4927 Soluble
114 S H -0.3723 Soluble
115 P H -0.5677 Soluble
116 W H -0.2891 Soluble
117 T H -0.0845 Soluble
118 F H 0.0603 Aggregation-prone
119 G H 0.0000 Buried
120 Q H -1.5292 Soluble
121 G H 0.0000 Buried
122 T H 0.0000 Buried
123 K H -1.0770 Soluble
124 V H 0.0000 Buried
125 E H -1.1304 Soluble
126 I H -1.5454 Soluble
127 K H -1.8245 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 -0.6066 4.3299 CSV PDB
4.5 -0.6431 4.3199 CSV PDB
5.0 -0.6874 4.3092 CSV PDB
5.5 -0.7322 4.2982 CSV PDB
6.0 -0.7694 4.2872 CSV PDB
6.5 -0.7929 4.2761 CSV PDB
7.0 -0.8015 4.2651 CSV PDB
7.5 -0.799 4.2545 CSV PDB
8.0 -0.7891 4.2446 CSV PDB
8.5 -0.7731 4.2366 CSV PDB
9.0 -0.7517 4.2315 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH