Tazlestobart / 5xj3

A4DAB258_5xj3_A_B | Source PDB: 5xj3 | Chains: A, B | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.5972
Max Score
2.1413
Min Score
-3.474
Total Score
-134.38
Score CDR
-0.154
Score non-CDR
-0.7111

Calculation Parameters

Chain Sequence(s) QVQLVESGGGVVQPGRSLRLSCAASGFTFSSYTMHWVRQAPGKGLEWVTFISYDGNNKYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAIYYCARTGWLGPFDYWGQGTLVTVSEIVLTQSPGTLSLSPGERATLSCRASQSVGSSYLAWYQQKPGQAPRLLIYGAFSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYGSSPWTFGQGTKVEIK input.pdb
Selected Chain(s) A (Heavy), B (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 -3.474
Maximum Score 2.1413
Average Score -0.5972
Total Score -134.3762

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

Index Residue Chain A4D Score Classification
1 Q A -1.2452 Soluble
2 V A -0.4680 Soluble
3 Q A -0.8551 Soluble
4 L A 0.0000 Buried
5 V A 0.3256 Aggregation-prone
6 E A -0.1019 Soluble
7 S A -0.5561 Soluble
8 G A -0.9217 Soluble
9 G A -0.0039 Soluble
11 G A 0.8412 Aggregation-prone
12 V A 1.6303 Aggregation-prone
13 V A 0.0000 Buried
14 Q A -1.5523 Soluble
15 P A -2.2451 Soluble
16 G A -2.2079 Soluble
17 R A -2.7537 Soluble
18 S A -1.8957 Soluble
19 L A -1.2678 Soluble
20 R A -2.0402 Soluble
21 L A 0.0000 Buried
22 S A -0.6186 Soluble
23 C A 0.0000 Buried
24 A A -0.3165 Soluble
25 A A 0.0000 Buried
26 S A -0.4855 Soluble
27 G A -0.6075 Soluble
28 F A -0.2122 Soluble
29 T A -0.1619 Soluble
30 F A 0.0000 Buried
35 S A -0.6020 Soluble
36 S A -0.0174 Soluble
37 Y A 0.0000 Buried
38 T A 0.0000 Buried
39 M A 0.0000 Buried
40 H A 0.0000 Buried
41 W A 0.0000 Buried
42 V A 0.0000 Buried
43 R A 0.0000 Buried
44 Q A -0.6836 Soluble
45 A A -1.1128 Soluble
46 P A -0.8594 Soluble
47 G A -1.4657 Soluble
48 K A -2.4215 Soluble
49 G A -1.6834 Soluble
50 L A 0.0000 Buried
51 E A -1.3024 Soluble
52 W A 0.0000 Buried
53 V A 0.0000 Buried
54 T A 0.0000 Buried
55 F A 0.0890 Aggregation-prone
56 I A 0.0000 Buried
57 S A -0.8119 Soluble
58 Y A -0.4303 Soluble
59 D A -2.1194 Soluble
62 G A -1.9143 Soluble
63 N A -2.4184 Soluble
64 N A -2.0024 Soluble
65 K A -1.0928 Soluble
66 Y A -0.0809 Soluble
67 Y A -0.4749 Soluble
68 A A -1.0544 Soluble
69 D A -2.1266 Soluble
70 S A -1.6777 Soluble
71 V A 0.0000 Buried
72 K A -2.3632 Soluble
74 G A -1.5357 Soluble
75 R A -1.3874 Soluble
76 F A 0.0000 Buried
77 T A -0.8940 Soluble
78 I A 0.0000 Buried
79 S A -0.5671 Soluble
80 R A -1.1291 Soluble
81 D A -1.6055 Soluble
82 N A -1.7742 Soluble
83 S A -1.5828 Soluble
84 K A -2.2964 Soluble
85 N A -1.6837 Soluble
86 T A 0.0000 Buried
87 L A 0.0000 Buried
88 Y A -0.5730 Soluble
89 L A 0.0000 Buried
90 Q A -1.2403 Soluble
91 M A 0.0000 Buried
92 N A -2.0245 Soluble
93 S A -1.6976 Soluble
94 L A 0.0000 Buried
95 R A -2.6700 Soluble
96 A A -1.7792 Soluble
97 E A -2.2984 Soluble
98 D A 0.0000 Buried
99 T A -0.4033 Soluble
100 A A 0.0000 Buried
101 I A 0.6806 Aggregation-prone
102 Y A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 A A 0.0000 Buried
106 R A 0.0000 Buried
107 T A 0.6011 Aggregation-prone
108 G A 1.0853 Aggregation-prone
109 W A 1.8382 Aggregation-prone
110 L A 2.1413 Aggregation-prone
113 G A 1.1167 Aggregation-prone
114 P A 0.0000 Buried
115 F A 0.0000 Buried
116 D A 0.2995 Aggregation-prone
117 Y A 0.4162 Aggregation-prone
118 W A 0.0193 Aggregation-prone
119 G A 0.0000 Buried
120 Q A -1.2677 Soluble
121 G A 0.0000 Buried
122 T A 0.3439 Aggregation-prone
123 L A 1.3493 Aggregation-prone
124 V A 0.0000 Buried
125 T A 0.2964 Aggregation-prone
126 V A 0.0000 Buried
127 S A -0.4915 Soluble
1 E B -1.4558 Soluble
2 I B -0.1318 Soluble
3 V B 0.7994 Aggregation-prone
4 L B 0.0000 Buried
5 T B -0.7296 Soluble
6 Q B 0.0000 Buried
7 S B -0.9350 Soluble
8 P B -0.5424 Soluble
9 G B -0.9561 Soluble
10 T B -0.7637 Soluble
11 L B -0.3504 Soluble
12 S B -0.6361 Soluble
13 L B -0.9332 Soluble
14 S B -1.8049 Soluble
15 P B -2.1321 Soluble
16 G B -2.4068 Soluble
17 E B -2.8250 Soluble
18 R B -2.9918 Soluble
19 A B 0.0000 Buried
20 T B -0.6643 Soluble
21 L B 0.0000 Buried
22 S B -0.8106 Soluble
23 C B 0.0000 Buried
24 R B -2.2549 Soluble
25 A B 0.0000 Buried
26 S B -0.9322 Soluble
27 Q B -1.6940 Soluble
28 S B -1.3572 Soluble
29 V B 0.0000 Buried
30 G B -0.6345 Soluble
36 S B -0.1156 Soluble
37 S B 0.4755 Aggregation-prone
38 Y B 0.7603 Aggregation-prone
39 L B 0.0000 Buried
40 A B 0.0000 Buried
41 W B 0.0000 Buried
42 Y B 0.0000 Buried
43 Q B 0.0000 Buried
44 Q B 0.0000 Buried
45 K B -1.3187 Soluble
46 P B -0.8970 Soluble
47 G B -1.4412 Soluble
48 Q B -2.0351 Soluble
49 A B -1.2257 Soluble
50 P B 0.0000 Buried
51 R B -0.8499 Soluble
52 L B 0.0000 Buried
53 L B 0.0000 Buried
54 I B 0.0000 Buried
55 Y B 0.7839 Aggregation-prone
56 G B 0.8353 Aggregation-prone
57 A B 0.0000 Buried
65 F B 1.4733 Aggregation-prone
66 S B 0.3536 Aggregation-prone
67 R B -0.7524 Soluble
68 A B 0.0000 Buried
69 T B -0.5176 Soluble
70 G B -0.7663 Soluble
71 I B -0.8273 Soluble
72 P B -1.1646 Soluble
74 D B -2.3131 Soluble
75 R B -1.9941 Soluble
76 F B 0.0000 Buried
77 S B -0.4418 Soluble
78 G B 0.0000 Buried
79 S B 0.1382 Aggregation-prone
80 G B -0.5155 Soluble
83 S B -0.9381 Soluble
84 G B -1.1895 Soluble
85 T B -1.6512 Soluble
86 D B -1.9226 Soluble
87 F B 0.0000 Buried
88 T B -0.4438 Soluble
89 L B 0.0000 Buried
90 T B -0.7859 Soluble
91 I B 0.0000 Buried
92 S B -2.5345 Soluble
93 R B -3.4740 Soluble
94 L B 0.0000 Buried
95 E B -2.5359 Soluble
96 P B -2.0564 Soluble
97 E B -2.1215 Soluble
98 D B 0.0000 Buried
99 F B -0.7041 Soluble
100 A B 0.0000 Buried
101 V B -0.5008 Soluble
102 Y B 0.0000 Buried
103 Y B 0.0000 Buried
104 C B 0.0000 Buried
105 Q B 0.0000 Buried
106 Q B 0.0000 Buried
107 Y B 0.0000 Buried
108 G B -0.0671 Soluble
109 S B -0.5168 Soluble
114 S B -0.4413 Soluble
115 P B -0.6301 Soluble
116 W B -0.1584 Soluble
117 T B -0.1206 Soluble
118 F B 0.0314 Aggregation-prone
119 G B 0.0000 Buried
120 Q B -1.5947 Soluble
121 G B 0.0000 Buried
122 T B 0.0000 Buried
123 K B -1.2870 Soluble
124 V B 0.0000 Buried
125 E B -1.0251 Soluble
126 I B -1.4209 Soluble
127 K B -1.7288 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
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 -0.5787 4.3212 CSV PDB
4.5 -0.6163 4.3125 CSV PDB
5.0 -0.6622 4.3031 CSV PDB
5.5 -0.709 4.2937 CSV PDB
6.0 -0.7483 4.2841 CSV PDB
6.5 -0.7726 4.2746 CSV PDB
7.0 -0.78 4.2652 CSV PDB
7.5 -0.7752 4.256 CSV PDB
8.0 -0.7631 4.2478 CSV PDB
8.5 -0.7454 4.2414 CSV PDB
9.0 -0.7221 4.2376 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH