Avelumab / 5grj

A4DAB029_5grj_H_L | Source PDB: 5grj | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.5133
Max Score
1.6303
Min Score
-2.7221
Total Score
-115.99
Score CDR
0.0018
Score non-CDR
-0.6634

Calculation Parameters

Chain Sequence(s) EVQLLESGGGLVQPGGSLRLSCAASGFTFSSYIMMWVRQAPGKGLEWVSSIYPSGGITFYADTVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARIKLGTVTTVDYWGQGTLVTVSALTQPASVSGSPGQSITISCTGTSSDVGGYNYVSWYQQHPGKAPKLMIYDVSNRPSGVSNRFSGSKSGNTASLTISGLQAEDEADYYCSSYTSSSTRVFGTGTKVTV 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 -2.7221
Maximum Score 1.6303
Average Score -0.5133
Total Score -115.9949

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

Index Residue Chain A4D Score Classification
1 E H -1.7514 Soluble
2 V H -0.8010 Soluble
3 Q H -1.2734 Soluble
4 L H 0.0000 Buried
5 L H -0.1116 Soluble
6 E H 0.0000 Buried
7 S H -0.4356 Soluble
8 G H -0.9307 Soluble
9 G H 0.0279 Aggregation-prone
11 G H 0.7966 Aggregation-prone
12 L H 1.6228 Aggregation-prone
13 V H 0.3045 Aggregation-prone
14 Q H -1.1141 Soluble
15 P H -1.5890 Soluble
16 G H -1.6029 Soluble
17 G H -1.0533 Soluble
18 S H -1.2265 Soluble
19 L H -1.1722 Soluble
20 R H -2.2320 Soluble
21 L H 0.0000 Buried
22 S H -0.6170 Soluble
23 C H 0.0000 Buried
24 A H -0.4069 Soluble
25 A H -0.5051 Soluble
26 S H -0.6520 Soluble
27 G H -0.2279 Soluble
28 F H 1.2809 Aggregation-prone
29 T H 0.5258 Aggregation-prone
30 F H 0.0000 Buried
35 S H -0.5816 Soluble
36 S H 0.2156 Aggregation-prone
37 Y H 0.0000 Buried
38 I H 0.6687 Aggregation-prone
39 M H 0.0000 Buried
40 M 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 -0.7692 Soluble
45 A H -1.1341 Soluble
46 P H -0.8855 Soluble
47 G H -1.5592 Soluble
48 K H -2.2758 Soluble
49 G H -1.4697 Soluble
50 L H 0.0000 Buried
51 E H -1.2770 Soluble
52 W H -0.3823 Soluble
53 V H 0.0000 Buried
54 S H 0.0000 Buried
55 S H 0.0000 Buried
56 I H 0.0000 Buried
57 Y H 0.8331 Aggregation-prone
58 P H -0.1850 Soluble
59 S H -0.4570 Soluble
62 G H -0.3242 Soluble
63 G H 0.0477 Aggregation-prone
64 I H 1.2978 Aggregation-prone
65 T H 1.1615 Aggregation-prone
66 F H 1.1445 Aggregation-prone
67 Y H -0.2947 Soluble
68 A H -1.1842 Soluble
69 D H -2.2895 Soluble
70 T H -1.8324 Soluble
71 V H 0.0000 Buried
72 K H -2.3378 Soluble
74 G H -1.6551 Soluble
75 R H 0.0000 Buried
76 F H 0.0000 Buried
77 T H -0.6716 Soluble
78 I H 0.0000 Buried
79 S H -0.3820 Soluble
80 R H -1.2124 Soluble
81 D H -1.9454 Soluble
82 N H -1.7416 Soluble
83 S H -1.6881 Soluble
84 K H -2.4584 Soluble
85 N H -1.9438 Soluble
86 T H -1.1674 Soluble
87 L H 0.0000 Buried
88 Y H -0.6389 Soluble
89 L H 0.0000 Buried
90 Q H -1.2496 Soluble
91 M H 0.0000 Buried
92 N H -1.8414 Soluble
93 S H -1.5316 Soluble
94 L H 0.0000 Buried
95 R H -2.6962 Soluble
96 A H -1.8368 Soluble
97 E H -2.2947 Soluble
98 D H 0.0000 Buried
99 T H -0.3481 Soluble
100 A H 0.0000 Buried
101 V H 0.4653 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 I H 0.0000 Buried
108 K H 0.5073 Aggregation-prone
109 L H 1.3132 Aggregation-prone
110 G H 0.5494 Aggregation-prone
111 T H 0.8718 Aggregation-prone
112 V H 1.6303 Aggregation-prone
113 T H 0.0000 Buried
114 T H 0.0000 Buried
115 V H 0.0000 Buried
116 D H -0.1011 Soluble
117 Y H 0.0041 Aggregation-prone
118 W H 0.0000 Buried
119 G H 0.0000 Buried
120 Q H -1.8493 Soluble
121 G H -0.5324 Soluble
122 T H 0.3828 Aggregation-prone
123 L H 1.6181 Aggregation-prone
124 V H 0.0000 Buried
125 T H 0.7527 Aggregation-prone
126 V H -0.3305 Soluble
2 S L -0.3307 Soluble
3 A L -0.2869 Soluble
4 L L 0.0000 Buried
5 T L -0.1996 Soluble
6 Q L 0.0000 Buried
7 P L -0.3031 Soluble
8 A L -0.4559 Soluble
9 S L -0.4527 Soluble
11 V L -0.0688 Soluble
12 S L -0.1862 Soluble
13 G L -0.4971 Soluble
14 S L -0.6921 Soluble
15 P L -1.1235 Soluble
16 G L -1.5372 Soluble
17 Q L -1.8350 Soluble
18 S L -1.1059 Soluble
19 I L -0.2698 Soluble
20 T L -0.0412 Soluble
21 I L 0.0000 Buried
22 S L -0.1504 Soluble
23 C L 0.0000 Buried
24 T L -0.6432 Soluble
25 G L -0.6799 Soluble
26 T L -0.6909 Soluble
27 S L -0.8536 Soluble
28 S L -0.5915 Soluble
29 D L 0.0000 Buried
30 V L 0.0000 Buried
31 G L -1.3743 Soluble
35 G L -0.9741 Soluble
36 Y L -0.5672 Soluble
37 N L -0.9889 Soluble
38 Y L -0.0751 Soluble
39 V L 0.0000 Buried
40 S 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 H L -2.0815 Soluble
46 P L -1.5813 Soluble
47 G L -1.7681 Soluble
48 K L -2.7221 Soluble
49 A L -1.8142 Soluble
50 P L 0.0000 Buried
51 K L -1.6328 Soluble
52 L L -0.5300 Soluble
53 M L -0.6518 Soluble
54 I L 0.0000 Buried
55 Y L -0.6586 Soluble
56 D L -0.9562 Soluble
57 V L -0.7712 Soluble
65 S L -1.0789 Soluble
66 N L -1.5420 Soluble
67 R L -1.4609 Soluble
68 P L -0.7354 Soluble
69 S L -0.8055 Soluble
70 G L -0.7520 Soluble
71 V L -0.8089 Soluble
72 S L -1.0694 Soluble
74 N L -1.7365 Soluble
75 R L -1.3140 Soluble
76 F L 0.0000 Buried
77 S L -0.8784 Soluble
78 G L -0.6274 Soluble
79 S L -0.7368 Soluble
80 K L -1.1448 Soluble
83 S L -1.0526 Soluble
84 G L -1.4528 Soluble
85 N L -1.8764 Soluble
86 T L -1.0980 Soluble
87 A L 0.0000 Buried
88 S L -0.2923 Soluble
89 L L 0.0000 Buried
90 T L -0.2293 Soluble
91 I L 0.0000 Buried
92 S L -1.2605 Soluble
93 G L -1.3797 Soluble
94 L L 0.0000 Buried
95 Q L -1.7165 Soluble
96 A L -1.2117 Soluble
97 E L -2.1389 Soluble
98 D L 0.0000 Buried
99 E L -1.5255 Soluble
100 A L 0.0000 Buried
101 D L -1.3919 Soluble
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 S L 0.0000 Buried
106 S L 0.0000 Buried
107 Y L 0.2141 Aggregation-prone
108 T L -0.1489 Soluble
109 S L -0.4305 Soluble
113 S L -0.4099 Soluble
114 S L -0.1216 Soluble
115 T L 0.1903 Aggregation-prone
116 R L 0.0000 Buried
117 V L 0.0000 Buried
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 T L -0.8511 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.4422 Soluble
124 V L 0.0000 Buried
125 T L -0.5676 Soluble
126 V L 0.0679 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
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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 -0.4714 3.6694 CSV PDB
4.5 -0.4974 3.6299 CSV PDB
5.0 -0.5268 3.5728 CSV PDB
5.5 -0.5534 3.5078 CSV PDB
6.0 -0.5702 3.4448 CSV PDB
6.5 -0.5722 3.3942 CSV PDB
7.0 -0.5605 3.3633 CSV PDB
7.5 -0.5407 3.3493 CSV PDB
8.0 -0.5167 3.3441 CSV PDB
8.5 -0.4895 3.3424 CSV PDB
9.0 -0.4591 3.3419 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH