Vudalimab / 5xj3

A4DAB302_5xj3_D_E | Source PDB: 5xj3 | Chains: D, E | Done
96.02
Yes
10 Å
Yes
Avg A4D Score
-0.6282
Max Score
2.1745
Min Score
-3.4787
Total Score
-141.34
Score CDR
-0.1827
Score non-CDR
-0.7427

Calculation Parameters

Chain Sequence(s) QVQLVESGGGVVQPGRSLRLSCAASGFTFSSYTMHWVRQAPGKGLEWVTFISYDGNNKYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAIYYCARTGWLGPFDYWGQGTLVTVSEIVLTQSPGTLSLSPGERATLSCRASQSVGSSYLAWYQQKPGQAPRLLIYGAFSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYGSSPWTFGQGTKVEIK input.pdb
Selected Chain(s) D (Heavy), E (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 -3.4787
Maximum Score 2.1745
Average Score -0.6282
Total Score -141.3439

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

Index Residue Chain A4D Score Classification
1 Q D -1.3091 Soluble
2 V D -0.5857 Soluble
3 Q D -1.1150 Soluble
4 L D 0.0000 Buried
5 V D 0.0984 Aggregation-prone
6 E D 0.0000 Buried
7 S D -0.4953 Soluble
8 G D -0.8753 Soluble
9 G D 0.1008 Aggregation-prone
11 G D 0.9754 Aggregation-prone
12 V D 1.7531 Aggregation-prone
13 V D -0.1965 Soluble
14 Q D -1.5133 Soluble
15 P D -2.3345 Soluble
16 G D -2.3334 Soluble
17 R D -2.8922 Soluble
18 S D -2.3530 Soluble
19 L D -1.5183 Soluble
20 R D -2.3129 Soluble
21 L D 0.0000 Buried
22 S D -0.6237 Soluble
23 C D 0.0000 Buried
24 A D -0.3653 Soluble
25 A D 0.0000 Buried
26 S D -0.5832 Soluble
27 G D -0.6846 Soluble
28 F D -0.2668 Soluble
29 T D -0.1636 Soluble
30 F D 0.0000 Buried
35 S D -0.6247 Soluble
36 S D -0.0329 Soluble
37 Y D 0.0000 Buried
38 T D 0.0747 Aggregation-prone
39 M D 0.0000 Buried
40 H D 0.0000 Buried
41 W D 0.0000 Buried
42 V D 0.0000 Buried
43 R D 0.0000 Buried
44 Q D -0.7497 Soluble
45 A D -1.1298 Soluble
46 P D -0.8302 Soluble
47 G D -1.4721 Soluble
48 K D -2.4591 Soluble
49 G D -1.7646 Soluble
50 L D 0.0000 Buried
51 E D -1.5729 Soluble
52 W D 0.0000 Buried
53 V D 0.0000 Buried
54 T D 0.0000 Buried
55 F D 0.0891 Aggregation-prone
56 I D 0.0000 Buried
57 S D -0.8645 Soluble
58 Y D -0.4725 Soluble
59 D D -2.1645 Soluble
62 G D -1.9903 Soluble
63 N D -2.5064 Soluble
64 N D -2.1967 Soluble
65 K D -1.1285 Soluble
66 Y D -0.0564 Soluble
67 Y D -0.4111 Soluble
68 A D -1.0791 Soluble
69 D D -2.1506 Soluble
70 S D -1.7418 Soluble
71 V D 0.0000 Buried
72 K D -2.4443 Soluble
74 G D -1.6585 Soluble
75 R D -1.6631 Soluble
76 F D 0.0000 Buried
77 T D -1.0490 Soluble
78 I D 0.0000 Buried
79 S D -0.6227 Soluble
80 R D -1.1557 Soluble
81 D D -1.6158 Soluble
82 N D -1.7949 Soluble
83 S D -1.5799 Soluble
84 K D -2.2719 Soluble
85 N D -1.6171 Soluble
86 T D 0.0000 Buried
87 L D 0.0000 Buried
88 Y D -0.6443 Soluble
89 L D 0.0000 Buried
90 Q D -1.7183 Soluble
91 M D 0.0000 Buried
92 N D -2.6558 Soluble
93 S D -2.0067 Soluble
94 L D 0.0000 Buried
95 R D -2.8778 Soluble
96 A D -1.8345 Soluble
97 E D -2.3532 Soluble
98 D D 0.0000 Buried
99 T D -0.3614 Soluble
100 A D 0.0000 Buried
101 I D 0.7483 Aggregation-prone
102 Y D 0.0000 Buried
103 Y D 0.0000 Buried
104 C D 0.0000 Buried
105 A D 0.0000 Buried
106 R D 0.0000 Buried
107 T D 0.6284 Aggregation-prone
108 G D 0.0000 Buried
109 W D 1.8613 Aggregation-prone
110 L D 2.1745 Aggregation-prone
113 G D 1.1490 Aggregation-prone
114 P D 0.0000 Buried
115 F D 0.0000 Buried
116 D D 0.2302 Aggregation-prone
117 Y D 0.3491 Aggregation-prone
118 W D -0.0663 Soluble
119 G D 0.0000 Buried
120 Q D -1.2770 Soluble
121 G D 0.0000 Buried
122 T D 0.4933 Aggregation-prone
123 L D 1.6316 Aggregation-prone
124 V D 0.0000 Buried
125 T D 0.3913 Aggregation-prone
126 V D 0.0000 Buried
127 S D -0.4837 Soluble
1 E E -1.4336 Soluble
2 I E -0.0826 Soluble
3 V E 0.8383 Aggregation-prone
4 L E 0.0000 Buried
5 T E -0.7533 Soluble
6 Q E 0.0000 Buried
7 S E -0.9217 Soluble
8 P E -0.5174 Soluble
9 G E -0.9224 Soluble
10 T E -0.7306 Soluble
11 L E -0.3549 Soluble
12 S E -0.7432 Soluble
13 L E -1.0206 Soluble
14 S E -1.8535 Soluble
15 P E -2.0466 Soluble
16 G E -2.2304 Soluble
17 E E -2.8893 Soluble
18 R E -3.0760 Soluble
19 A E 0.0000 Buried
20 T E -0.6607 Soluble
21 L E 0.0000 Buried
22 S E -0.8758 Soluble
23 C E 0.0000 Buried
24 R E -2.2210 Soluble
25 A E 0.0000 Buried
26 S E -0.7604 Soluble
27 Q E -1.3237 Soluble
28 S E -1.1672 Soluble
29 V E 0.0000 Buried
30 G E -0.5769 Soluble
36 S E -0.0917 Soluble
37 S E 0.4922 Aggregation-prone
38 Y E 0.7363 Aggregation-prone
39 L E 0.0000 Buried
40 A E 0.0000 Buried
41 W E 0.0000 Buried
42 Y E 0.0000 Buried
43 Q E 0.0000 Buried
44 Q E 0.0000 Buried
45 K E -1.4420 Soluble
46 P E -0.9803 Soluble
47 G E -1.4670 Soluble
48 Q E -2.0832 Soluble
49 A E -1.2797 Soluble
50 P E 0.0000 Buried
51 R E -1.0171 Soluble
52 L E 0.0000 Buried
53 L E 0.0000 Buried
54 I E 0.0000 Buried
55 Y E 0.7058 Aggregation-prone
56 G E 0.7735 Aggregation-prone
57 A E 0.0000 Buried
65 F E 1.4968 Aggregation-prone
66 S E 0.3103 Aggregation-prone
67 R E -0.8463 Soluble
68 A E -0.4930 Soluble
69 T E -0.5374 Soluble
70 G E -0.7594 Soluble
71 I E -0.8474 Soluble
72 P E -1.1757 Soluble
74 D E -2.3467 Soluble
75 R E -2.0533 Soluble
76 F E 0.0000 Buried
77 S E -0.4016 Soluble
78 G E 0.4055 Aggregation-prone
79 S E 0.1649 Aggregation-prone
80 G E -0.5384 Soluble
83 S E -0.9710 Soluble
84 G E -1.1342 Soluble
85 T E -1.5865 Soluble
86 D E -1.9314 Soluble
87 F E 0.0000 Buried
88 T E -0.4483 Soluble
89 L E 0.0000 Buried
90 T E -0.7976 Soluble
91 I E 0.0000 Buried
92 S E -2.5697 Soluble
93 R E -3.4787 Soluble
94 L E 0.0000 Buried
95 E E -2.3358 Soluble
96 P E -1.7427 Soluble
97 E E -1.9328 Soluble
98 D E 0.0000 Buried
99 F E -0.7911 Soluble
100 A E 0.0000 Buried
101 V E -0.4835 Soluble
102 Y E 0.0000 Buried
103 Y E 0.0000 Buried
104 C E 0.0000 Buried
105 Q E 0.0000 Buried
106 Q E 0.0000 Buried
107 Y E 0.0000 Buried
108 G E -0.2391 Soluble
109 S E -0.5211 Soluble
114 S E -0.4415 Soluble
115 P E -0.6152 Soluble
116 W E -0.1124 Soluble
117 T E -0.1877 Soluble
118 F E -0.0702 Soluble
119 G E 0.0000 Buried
120 Q E -1.6133 Soluble
121 G E -1.1381 Soluble
122 T E 0.0000 Buried
123 K E -1.1544 Soluble
124 V E 0.0000 Buried
125 E E -1.1864 Soluble
126 I E -1.5254 Soluble
127 K E -1.8139 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 -0.6158 4.3219 CSV PDB
4.5 -0.6532 4.3124 CSV PDB
5.0 -0.6984 4.3024 CSV PDB
5.5 -0.745 4.2921 CSV PDB
6.0 -0.7848 4.2818 CSV PDB
6.5 -0.8109 4.2714 CSV PDB
7.0 -0.8207 4.2612 CSV PDB
7.5 -0.8174 4.2513 CSV PDB
8.0 -0.8047 4.2422 CSV PDB
8.5 -0.7849 4.235 CSV PDB
9.0 -0.7593 4.2306 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH