Utomilumab / 6a3w

A4DAB286_6a3w_D_E | Source PDB: 6a3w | Chains: D, E | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.5426
Max Score
1.556
Min Score
-3.3399
Total Score
-120.99
Score CDR
-0.1728
Score non-CDR
-0.6361

Calculation Parameters

Chain Sequence(s) EVQLVQSGAEVKKPGESLRISCKGSGYSFSTYWISWVRQMPGKGLEWMGKIYPGDSYTNYSPSFQGQVTISADKSISTAYLQWSSLKASDTAMYYCARGYGIFDYWGQGTLVTVSSYELTQPPSVSVSPGQTASITCSGDNIGDQYAHWYQQKPGQSPVLVIYQDKNRPSGIPERFSGSNSGNTATLTISGTQAMDEADYYCATYTGFGSLAVFGGGTKLTVL 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 -3.3399
Maximum Score 1.556
Average Score -0.5426
Total Score -120.9918

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

Index Residue Chain A4D Score Classification
1 E D -2.0657 Soluble
2 V D -1.1437 Soluble
3 Q D -1.5689 Soluble
4 L D 0.0000 Buried
5 V D -0.2598 Soluble
6 Q D 0.0000 Buried
7 S D -0.6481 Soluble
8 G D -0.3774 Soluble
9 A D 0.1436 Aggregation-prone
11 E D 0.1254 Aggregation-prone
12 V D 1.0910 Aggregation-prone
13 K D -0.8567 Soluble
14 K D -2.1347 Soluble
15 P D -2.1689 Soluble
16 G D -1.9521 Soluble
17 E D -2.0984 Soluble
18 S D -1.7931 Soluble
19 L D 0.0000 Buried
20 R D -2.1590 Soluble
21 I D 0.0000 Buried
22 S D -0.6971 Soluble
23 C D 0.0000 Buried
24 K D -1.0158 Soluble
25 G D 0.0000 Buried
26 S D -0.8926 Soluble
27 G D -1.1657 Soluble
28 Y D -0.4425 Soluble
29 S D -0.3042 Soluble
30 F D 0.0000 Buried
35 S D -0.7890 Soluble
36 T D -0.0804 Soluble
37 Y D 0.9145 Aggregation-prone
38 W D 1.0176 Aggregation-prone
39 I D 0.0000 Buried
40 S D 0.0000 Buried
41 W D 0.0000 Buried
42 V D 0.0000 Buried
43 R D -0.6739 Soluble
44 Q D -0.8711 Soluble
45 M D -0.8286 Soluble
46 P D -0.9362 Soluble
47 G D -1.4167 Soluble
48 K D -2.2301 Soluble
49 G D -1.4591 Soluble
50 L D 0.0000 Buried
51 E D -1.0355 Soluble
52 W D 0.0000 Buried
53 M D 0.0000 Buried
54 G D 0.0000 Buried
55 K D 0.0000 Buried
56 I D 0.0000 Buried
57 Y D 0.3550 Aggregation-prone
58 P D 0.0000 Buried
59 G D -1.1565 Soluble
62 D D -1.7557 Soluble
63 S D -0.6949 Soluble
64 Y D 0.7518 Aggregation-prone
65 T D 0.4167 Aggregation-prone
66 N D -0.0214 Soluble
67 Y D -0.5761 Soluble
68 S D -0.5747 Soluble
69 P D -0.7982 Soluble
70 S D -0.9366 Soluble
71 F D 0.0000 Buried
72 Q D -1.8361 Soluble
74 G D -1.5415 Soluble
75 Q D -1.6648 Soluble
76 V D 0.0000 Buried
77 T D -0.8926 Soluble
78 I D 0.0000 Buried
79 S D -0.4624 Soluble
80 A D -0.9367 Soluble
81 D D -1.7006 Soluble
82 K D -2.2090 Soluble
83 S D -0.6902 Soluble
84 I D 0.2101 Aggregation-prone
85 S D -0.7323 Soluble
86 T D 0.0000 Buried
87 A D 0.0000 Buried
88 Y D -0.7444 Soluble
89 L D 0.0000 Buried
90 Q D -1.4770 Soluble
91 W D 0.0000 Buried
92 S D -1.3138 Soluble
93 S D -1.6161 Soluble
94 L D 0.0000 Buried
95 K D -2.3454 Soluble
96 A D -1.2892 Soluble
97 S D -0.6855 Soluble
98 D D 0.0000 Buried
99 T D -0.1704 Soluble
100 A D 0.0000 Buried
101 M D 0.1543 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 G D 0.7099 Aggregation-prone
108 Y D 1.3094 Aggregation-prone
109 G D 0.0000 Buried
114 I D 0.8508 Aggregation-prone
115 F D 0.0000 Buried
116 D D -0.5916 Soluble
117 Y D -0.1086 Soluble
118 W D -0.2013 Soluble
119 G D 0.0000 Buried
120 Q D -1.3788 Soluble
121 G D -0.6667 Soluble
122 T D 0.0000 Buried
123 L D 0.4652 Aggregation-prone
124 V D 0.0000 Buried
125 T D 0.1020 Aggregation-prone
126 V D 0.0000 Buried
127 S D -0.9395 Soluble
128 S D -1.1070 Soluble
2 Y E 0.1106 Aggregation-prone
3 E E -1.5443 Soluble
4 L E 0.0000 Buried
5 T E -0.9369 Soluble
6 Q E 0.0000 Buried
7 P E -0.5797 Soluble
8 P E -0.9207 Soluble
9 S E -0.9447 Soluble
11 V E -0.4885 Soluble
12 S E -0.3374 Soluble
13 V E 0.0000 Buried
14 S E -0.2297 Soluble
15 P E -0.6035 Soluble
16 G E -1.4248 Soluble
17 Q E -1.7482 Soluble
18 T E -1.0729 Soluble
19 A E 0.0000 Buried
20 S E -0.3572 Soluble
21 I E 0.0000 Buried
22 T E -0.2635 Soluble
23 C E 0.0000 Buried
24 S E -1.3776 Soluble
25 G E 0.0000 Buried
26 D E -3.1653 Soluble
27 N E -3.3399 Soluble
28 I E 0.0000 Buried
29 G E -2.2676 Soluble
36 D E -2.6121 Soluble
37 Q E -0.9540 Soluble
38 Y E 0.5197 Aggregation-prone
39 A E 0.0000 Buried
40 H E 0.0000 Buried
41 W E 0.0000 Buried
42 Y E 0.0000 Buried
43 Q E -0.2286 Soluble
44 Q E 0.0000 Buried
45 K E -1.4715 Soluble
46 P E -1.3711 Soluble
47 G E -1.5067 Soluble
48 Q E -1.7717 Soluble
49 S E -0.7668 Soluble
50 P E 0.0000 Buried
51 V E 1.1884 Aggregation-prone
52 L E 0.7280 Aggregation-prone
53 V E 0.0000 Buried
54 I E 0.0000 Buried
55 Y E -0.4469 Soluble
56 Q E -0.5425 Soluble
57 D E -1.1569 Soluble
65 K E -2.1986 Soluble
66 N E -1.7501 Soluble
67 R E -1.9781 Soluble
68 P E -1.1760 Soluble
69 S E -0.9041 Soluble
70 G E -0.8585 Soluble
71 I E -0.5908 Soluble
72 P E -1.2622 Soluble
74 E E -2.2660 Soluble
75 R E -1.4708 Soluble
76 F E 0.0000 Buried
77 S E -1.3705 Soluble
78 G E 0.0000 Buried
79 S E -0.9702 Soluble
80 N E -1.3369 Soluble
83 S E -1.4765 Soluble
84 G E -2.2024 Soluble
85 N E -2.6317 Soluble
86 T E -1.3496 Soluble
87 A E 0.0000 Buried
88 T E -0.5026 Soluble
89 L E 0.0000 Buried
90 T E -0.4722 Soluble
91 I E 0.0000 Buried
92 S E -1.1632 Soluble
93 G E -1.1542 Soluble
94 T E 0.0000 Buried
95 Q E -0.6816 Soluble
96 A E 0.1278 Aggregation-prone
97 M E 0.4454 Aggregation-prone
98 D E 0.0000 Buried
99 E E -1.2135 Soluble
100 A E 0.0000 Buried
101 D E -1.4994 Soluble
102 Y E 0.0000 Buried
103 Y E 0.0000 Buried
104 C E 0.0000 Buried
105 A E 0.0000 Buried
106 T E 0.0000 Buried
107 Y E 1.0527 Aggregation-prone
108 T E 0.7306 Aggregation-prone
109 G E 0.4172 Aggregation-prone
110 F E 1.5560 Aggregation-prone
113 G E 0.4005 Aggregation-prone
114 S E 0.4647 Aggregation-prone
115 L E 0.7789 Aggregation-prone
116 A E 0.0000 Buried
117 V E 0.1407 Aggregation-prone
118 F E 0.0000 Buried
119 G E 0.0000 Buried
120 G E -1.1927 Soluble
121 G E -1.1668 Soluble
122 T E 0.0000 Buried
123 K E -2.1608 Soluble
124 L E 0.0000 Buried
125 T E -0.4385 Soluble
126 V E 0.1684 Aggregation-prone
127 L E 1.3116 Aggregation-prone

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 -0.436 4.2279 CSV PDB
4.5 -0.4754 4.2279 CSV PDB
5.0 -0.5198 4.2279 CSV PDB
5.5 -0.5605 4.2279 CSV PDB
6.0 -0.5882 4.2279 CSV PDB
6.5 -0.5963 4.2279 CSV PDB
7.0 -0.5858 4.2279 CSV PDB
7.5 -0.5633 4.2279 CSV PDB
8.0 -0.5337 4.2279 CSV PDB
8.5 -0.4978 4.2279 CSV PDB
9.0 -0.4562 4.2278 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH