Durvalumab / 5xj4

A4DAB094_5xj4_H_L | Source PDB: 5xj4 | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7224
Max Score
2.2458
Min Score
-3.3209
Total Score
-168.33
Score CDR
-0.4437
Score non-CDR
-0.7967

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGFTFSRYWMSWVRQAPGKGLEWVANIKQDGSEKYYVDSVKGRFTISRDNAKNSLYLQMNSLRAEDTAVYYCAREGGWFGELAFDYWGQGTLVTVSEIVLTQSPGTLSLSPGERATLSCRASQRVSSSYLAWYQQKPGQAPRLLIYDASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYGSLPWTFGQGTKVEIKRGGGG input.pdb
Selected Chain(s) H (Heavy), L (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 -3.3209
Maximum Score 2.2458
Average Score -0.7224
Total Score -168.3273

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

Index Residue Chain A4D Score Classification
1 E H -2.1639 Soluble
2 V H -1.2691 Soluble
3 Q H -1.2604 Soluble
4 L H 0.0000 Buried
5 V H 1.0851 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.4128 Soluble
8 G H -0.7217 Soluble
9 G H -0.1574 Soluble
11 G H 0.4907 Aggregation-prone
12 L H 1.4004 Aggregation-prone
13 V H 0.0987 Aggregation-prone
14 Q H -1.2128 Soluble
15 P H -1.5043 Soluble
16 G H -1.4303 Soluble
17 G H -1.2104 Soluble
18 S H -1.3241 Soluble
19 L H -1.1107 Soluble
20 R H -2.0786 Soluble
21 L H 0.0000 Buried
22 S H -0.2588 Soluble
23 C H 0.0000 Buried
24 A H 0.0120 Aggregation-prone
25 A H 0.0000 Buried
26 S H -0.8207 Soluble
27 G H -1.3462 Soluble
28 F H -0.7889 Soluble
29 T H -0.6681 Soluble
30 F H 0.0000 Buried
35 S H -1.8860 Soluble
36 R H -1.7651 Soluble
37 Y H -0.4199 Soluble
38 W H -0.1410 Soluble
39 M 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 -0.7635 Soluble
45 A H -1.1293 Soluble
46 P H -0.9094 Soluble
47 G H -1.4688 Soluble
48 K H -2.4121 Soluble
49 G H -1.6681 Soluble
50 L H 0.0000 Buried
51 E H -1.1994 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 A H 0.0000 Buried
55 N H 0.0000 Buried
56 I H 0.0000 Buried
57 K H -1.3575 Soluble
58 Q H -1.6666 Soluble
59 D H -2.6727 Soluble
62 G H -1.8516 Soluble
63 S H -1.4680 Soluble
64 E H -1.5287 Soluble
65 K H -0.9314 Soluble
66 Y H -0.1952 Soluble
67 Y H -0.5165 Soluble
68 V H -0.9142 Soluble
69 D H -2.3224 Soluble
70 S H -1.7571 Soluble
71 V H 0.0000 Buried
72 K H -2.4155 Soluble
74 G H -1.6773 Soluble
75 R H 0.0000 Buried
76 F H 0.0000 Buried
77 T H -0.7459 Soluble
78 I H 0.0000 Buried
79 S H -0.6465 Soluble
80 R H -1.1707 Soluble
81 D H -1.6471 Soluble
82 N H -2.0565 Soluble
83 A H -1.3046 Soluble
84 K H -2.1955 Soluble
85 N H -1.5745 Soluble
86 S H 0.0000 Buried
87 L H 0.0000 Buried
88 Y H -0.2316 Soluble
89 L H 0.0000 Buried
90 Q H -1.0201 Soluble
91 M H 0.0000 Buried
92 N H -1.5284 Soluble
93 S H -1.3010 Soluble
94 L H 0.0000 Buried
95 R H -2.2165 Soluble
96 A H -1.6461 Soluble
97 E H -2.2249 Soluble
98 D H 0.0000 Buried
99 T H -0.4374 Soluble
100 A H 0.0000 Buried
101 V H 0.4275 Aggregation-prone
102 Y H 0.0000 Buried
103 Y H 0.0000 Buried
104 C H 0.0000 Buried
105 A H 0.0000 Buried
106 R H 0.0000 Buried
107 E H 0.0000 Buried
108 G H 0.0000 Buried
109 G H 0.8858 Aggregation-prone
110 W H 1.7854 Aggregation-prone
111 F H 2.2458 Aggregation-prone
112A G H 0.0000 Buried
112 E H 0.6541 Aggregation-prone
113 L H 0.7338 Aggregation-prone
114 A H 0.0000 Buried
115 F H 0.0000 Buried
116 D H -0.0854 Soluble
117 Y H -0.0388 Soluble
118 W H -0.2602 Soluble
119 G H 0.0000 Buried
120 Q H -1.0541 Soluble
121 G H -0.2858 Soluble
122 T H 0.1884 Aggregation-prone
123 L H 0.8000 Aggregation-prone
124 V H 0.0000 Buried
125 T H 0.2487 Aggregation-prone
126 V H 0.0000 Buried
127 S H -0.7016 Soluble
1 E L -1.3812 Soluble
2 I L 0.0000 Buried
3 V L 0.6262 Aggregation-prone
4 L L 0.0000 Buried
5 T L -0.6764 Soluble
6 Q L 0.0000 Buried
7 S L -0.9607 Soluble
8 P L -0.5761 Soluble
9 G L -0.9561 Soluble
10 T L -0.7437 Soluble
11 L L -0.4443 Soluble
12 S L -0.6211 Soluble
13 L L -1.3127 Soluble
14 S L -2.4021 Soluble
15 P L -2.7336 Soluble
16 G L -2.6724 Soluble
17 E L -2.9473 Soluble
18 R L -3.1353 Soluble
19 A L 0.0000 Buried
20 T L -0.5705 Soluble
21 L L 0.0000 Buried
22 S L -1.0294 Soluble
23 C L 0.0000 Buried
24 R L -2.5960 Soluble
25 A L 0.0000 Buried
26 S L -1.4376 Soluble
27 Q L -2.5818 Soluble
28 R L -3.0354 Soluble
29 V L 0.0000 Buried
30 S L -1.0091 Soluble
36 S L -0.6961 Soluble
37 S L -0.8697 Soluble
38 Y L -0.1537 Soluble
39 L L 0.0000 Buried
40 A L 0.0000 Buried
41 W L 0.0000 Buried
42 Y L 0.0000 Buried
43 Q L 0.0000 Buried
44 Q L 0.0000 Buried
45 K L -1.0282 Soluble
46 P L -0.7341 Soluble
47 G L -1.3785 Soluble
48 Q L -1.9965 Soluble
49 A L -1.3222 Soluble
50 P L 0.0000 Buried
51 R L -1.2693 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.3064 Soluble
56 D L -0.8010 Soluble
57 A L 0.0000 Buried
65 S L -0.7746 Soluble
66 S L -0.6917 Soluble
67 R L -1.3922 Soluble
68 A L -0.6783 Soluble
69 T L -0.4909 Soluble
70 G L -0.7719 Soluble
71 I L -0.9175 Soluble
72 P L -1.2533 Soluble
74 D L -2.1443 Soluble
75 R L -1.8548 Soluble
76 F L 0.0000 Buried
77 S L -0.8743 Soluble
78 G L -0.7976 Soluble
79 S L -0.8266 Soluble
80 G L -1.2688 Soluble
83 S L -1.4733 Soluble
84 G L -1.8434 Soluble
85 T L -2.4405 Soluble
86 D L -2.6147 Soluble
87 F L 0.0000 Buried
88 T L -0.8785 Soluble
89 L L 0.0000 Buried
90 T L -0.7567 Soluble
91 I L 0.0000 Buried
92 S L -2.5423 Soluble
93 R L -3.3209 Soluble
94 L L 0.0000 Buried
95 E L -2.6102 Soluble
96 P L -2.1722 Soluble
97 E L -2.0593 Soluble
98 D L 0.0000 Buried
99 F L -0.4287 Soluble
100 A L 0.0000 Buried
101 V L -0.3304 Soluble
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 Q L 0.0000 Buried
106 Q L 0.0000 Buried
107 Y L 0.0000 Buried
108 G L -0.2966 Soluble
109 S L -0.1761 Soluble
114 L L 0.6918 Aggregation-prone
115 P L -0.0355 Soluble
116 W L 0.2698 Aggregation-prone
117 T L 0.0367 Aggregation-prone
118 F L -0.0174 Soluble
119 G L 0.0000 Buried
120 Q L -1.5509 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.0319 Soluble
124 V L 0.0000 Buried
125 E L -1.4351 Soluble
126 I L -1.9589 Soluble
127 K L -2.7567 Soluble
128 R L -3.1458 Soluble
129 G L -2.1849 Soluble
130 G L -1.6740 Soluble
131 G L -1.3483 Soluble
132 G L -1.6600 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 -0.6809 5.461 CSV PDB
4.5 -0.7289 5.4385 CSV PDB
5.0 -0.7855 5.4144 CSV PDB
5.5 -0.8426 5.3939 CSV PDB
6.0 -0.8911 5.3827 CSV PDB
6.5 -0.923 5.3839 CSV PDB
7.0 -0.936 5.3943 CSV PDB
7.5 -0.9347 5.4091 CSV PDB
8.0 -0.9241 5.4255 CSV PDB
8.5 -0.9064 5.4424 CSV PDB
9.0 -0.8822 5.4593 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH