Avelumab / 4nki

A4DAB029_4nki_H_L | Source PDB: 4nki | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6588
Max Score
1.8936
Min Score
-3.1718
Total Score
-285.28
Score CDR
-0.0555
Score non-CDR
-0.7394

Calculation Parameters

Chain Sequence(s) EVQLLESGGGLVQPGGSLRLSCAASGFTFSSYIMMWVRQAPGKGLEWVSSIYPSGGITFYADTVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARIKLGTVTTVDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSALTQPASVSGSPGQSITISCTGTSSDVGGYNYVSWYQQHPGKAPKLMIYDVSNRPSGVSNRFSGSKSGNTASLTISGLQAEDEADYYCSSYTSSSTRVFGTGTKVTVLGQPKANPTVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADGSPVKAGVETTKPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPT 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 -3.1718
Maximum Score 1.8936
Average Score -0.6588
Total Score -285.2807

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

Index Residue Chain A4D Score Classification
1 E H -2.0014 Soluble
2 V H -0.8415 Soluble
3 Q H -0.8347 Soluble
4 L H 0.0000 Buried
5 L H 0.8289 Aggregation-prone
6 E H 0.0628 Aggregation-prone
7 S H -0.3657 Soluble
8 G H -0.9238 Soluble
9 G H -0.3914 Soluble
11 G H -0.0517 Soluble
12 L H 0.1076 Aggregation-prone
13 V H -0.5489 Soluble
14 Q H -1.5351 Soluble
15 P H -1.7407 Soluble
16 G H -1.4408 Soluble
17 G H -1.0942 Soluble
18 S H -1.2464 Soluble
19 L H -1.0684 Soluble
20 R H -2.1507 Soluble
21 L H 0.0000 Buried
22 S H -0.4879 Soluble
23 C H 0.0000 Buried
24 A H -0.0490 Soluble
25 A H -0.3442 Soluble
26 S H -0.6287 Soluble
27 G H -1.0870 Soluble
28 F H -0.4431 Soluble
29 T H -0.2271 Soluble
30 F H 0.0000 Buried
35 S H -0.5344 Soluble
36 S H 0.0145 Aggregation-prone
37 Y H 0.0000 Buried
38 I H 0.6611 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 -0.7653 Soluble
45 A H -1.1446 Soluble
46 P H -0.9466 Soluble
47 G H -1.5265 Soluble
48 K H -2.1932 Soluble
49 G H -1.3535 Soluble
50 L H 0.0000 Buried
51 E H -0.8187 Soluble
52 W H 0.0000 Buried
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 0.9107 Aggregation-prone
58 P H 0.0964 Aggregation-prone
59 S H -0.1547 Soluble
62 G H 0.0310 Aggregation-prone
63 G H 0.4018 Aggregation-prone
64 I H 1.8936 Aggregation-prone
65 T H 1.1249 Aggregation-prone
66 F H 0.5293 Aggregation-prone
67 Y H -0.6544 Soluble
68 A H -1.1680 Soluble
69 D H -2.3606 Soluble
70 T H -1.4258 Soluble
71 V H 0.0000 Buried
72 K H -2.5137 Soluble
74 G H -1.7260 Soluble
75 R H -1.2898 Soluble
76 F H 0.0000 Buried
77 T H -0.8200 Soluble
78 I H 0.0000 Buried
79 S H -0.3923 Soluble
80 R H -0.9437 Soluble
81 D H -1.4678 Soluble
82 N H -1.5714 Soluble
83 S H -1.5140 Soluble
84 K H -2.2598 Soluble
85 N H -1.5758 Soluble
86 T H -0.9115 Soluble
87 L H 0.0000 Buried
88 Y H -0.5877 Soluble
89 L H 0.0000 Buried
90 Q H -1.3181 Soluble
91 M H 0.0000 Buried
92 N H -1.4916 Soluble
93 S H -1.2839 Soluble
94 L H 0.0000 Buried
95 R H -2.3831 Soluble
96 A H -1.7206 Soluble
97 E H -2.2391 Soluble
98 D H 0.0000 Buried
99 T H -0.6391 Soluble
100 A H 0.0000 Buried
101 V H 0.2723 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 0.3775 Aggregation-prone
109 L H 1.1709 Aggregation-prone
110 G H 0.2675 Aggregation-prone
111 T H 0.3727 Aggregation-prone
112 V H 0.5842 Aggregation-prone
113 T H 0.0000 Buried
114 T H 0.0000 Buried
115 V H 0.0000 Buried
116 D H -0.1120 Soluble
117 Y H -0.0432 Soluble
118 W H -0.1206 Soluble
119 G H 0.0000 Buried
120 Q H -1.2475 Soluble
121 G H -0.4259 Soluble
122 T H 0.1281 Aggregation-prone
123 L H 0.5327 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.3311 Soluble
126 V H 0.0000 Buried
127 S H -0.9570 Soluble
128 S H -0.7901 Soluble
129 A H -0.4737 Soluble
130 S H -0.6692 Soluble
131 T H -0.9025 Soluble
132 K H -1.5701 Soluble
133 G H -1.7970 Soluble
134 P H -0.9513 Soluble
135 S H -0.5635 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.0779 Soluble
139 L H 0.0000 Buried
140 A H -1.3255 Soluble
141 P H 0.0000 Buried
142 S H -1.2556 Soluble
143 S H -1.7934 Soluble
144 K H -2.3201 Soluble
145 S H 0.0000 Buried
146 T H -1.3080 Soluble
147 S H -1.2345 Soluble
148 G H -1.2434 Soluble
149 G H -0.8869 Soluble
150 T H -0.5829 Soluble
151 A H 0.0000 Buried
152 A H -0.0809 Soluble
153 L H 0.0000 Buried
154 G H 0.0000 Buried
155 C H 0.0000 Buried
156 L H 0.0000 Buried
157 V H 0.0000 Buried
158 K H -0.6787 Soluble
159 D H -0.9247 Soluble
160 Y H 0.0000 Buried
161 F H -0.5542 Soluble
162 P H 0.0000 Buried
163 E H -0.6649 Soluble
164 P H -0.8374 Soluble
165 V H 0.0000 Buried
166 T H -0.6354 Soluble
167 V H -0.3772 Soluble
168 S H -0.3606 Soluble
169 W H 0.0000 Buried
170 N H -0.7786 Soluble
171 S H -0.6576 Soluble
172 G H -0.4273 Soluble
173 A H -0.1860 Soluble
174 L H 0.0197 Aggregation-prone
175 T H -0.1756 Soluble
176 S H -0.2709 Soluble
177 G H -0.3722 Soluble
178 V H 0.1312 Aggregation-prone
179 H H -0.1570 Soluble
180 T H -0.0241 Soluble
181 F H 0.0000 Buried
182 P H -0.2790 Soluble
183 A H 0.0298 Aggregation-prone
184 V H 0.0000 Buried
185 L H 1.1736 Aggregation-prone
186 Q H 0.2337 Aggregation-prone
187 S H -0.1692 Soluble
188 S H -0.2514 Soluble
189 G H 0.0150 Aggregation-prone
190 L H -0.1205 Soluble
191 Y H 0.1521 Aggregation-prone
192 S H 0.0000 Buried
193 L H 0.0000 Buried
194 S H 0.0000 Buried
195 S H 0.0000 Buried
196 V H 0.0000 Buried
197 V H 0.0000 Buried
198 T H -0.2280 Soluble
199 V H 0.0000 Buried
200 P H -0.6193 Soluble
201 S H 0.0000 Buried
202 S H -0.7287 Soluble
203 S H -0.6300 Soluble
204 L H 0.0000 Buried
205 G H -1.0299 Soluble
206 T H -0.7079 Soluble
207 Q H -1.1318 Soluble
208 T H -1.1519 Soluble
209 Y H 0.0000 Buried
210 I H -1.4362 Soluble
211 C H 0.0000 Buried
212 N H -1.4986 Soluble
213 V H 0.0000 Buried
214 N H -1.8673 Soluble
215 H H 0.0000 Buried
216 K H -2.8161 Soluble
217 P H -1.7089 Soluble
218 S H -1.8856 Soluble
219 N H -2.4742 Soluble
220 T H -2.3371 Soluble
221 K H -2.7272 Soluble
222 V H -1.8210 Soluble
223 D H -2.6206 Soluble
224 K H -2.2690 Soluble
225 R H -2.7292 Soluble
226 V H 0.0000 Buried
227 E H -2.8533 Soluble
228 P H -2.1084 Soluble
229 K H -2.5438 Soluble
2 S L -0.1691 Soluble
3 A L -0.1230 Soluble
4 L L 0.0000 Buried
5 T L -0.1728 Soluble
6 Q L 0.0000 Buried
7 P L -0.3932 Soluble
8 A L -0.5482 Soluble
9 S L -0.7952 Soluble
11 V L -0.4203 Soluble
12 S L -0.2966 Soluble
13 G L 0.0000 Buried
14 S L -0.7548 Soluble
15 P L -1.1474 Soluble
16 G L -1.4083 Soluble
17 Q L -1.6637 Soluble
18 S L -1.0436 Soluble
19 I L -0.3020 Soluble
20 T L -0.0413 Soluble
21 I L 0.0000 Buried
22 S L -0.2289 Soluble
23 C L 0.0000 Buried
24 T L -0.5444 Soluble
25 G L -0.5812 Soluble
26 T L -0.7241 Soluble
27 S L -0.7828 Soluble
28 S L -0.5726 Soluble
29 D L -0.5336 Soluble
30 V L 0.0000 Buried
31 G L -1.1566 Soluble
35 G L -0.7465 Soluble
36 Y L -0.4304 Soluble
37 N L -1.0216 Soluble
38 Y L 0.0815 Aggregation-prone
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 -1.4948 Soluble
46 P L -1.3226 Soluble
47 G L -1.5984 Soluble
48 K L -2.3567 Soluble
49 A L -1.5071 Soluble
50 P L 0.0000 Buried
51 K L -1.3954 Soluble
52 L L 0.0000 Buried
53 M L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.5009 Soluble
56 D L -0.7844 Soluble
57 V L -0.7027 Soluble
65 S L -0.9829 Soluble
66 N L -1.2521 Soluble
67 R L -1.3502 Soluble
68 P L -0.6873 Soluble
69 S L -0.6379 Soluble
70 G L -0.7556 Soluble
71 V L -0.8374 Soluble
72 S L -1.0729 Soluble
74 N L -1.7129 Soluble
75 R L -1.3089 Soluble
76 F L 0.0000 Buried
77 S L -0.8834 Soluble
78 G L -0.6141 Soluble
79 S L -0.8117 Soluble
80 K L -1.0564 Soluble
83 S L -0.9015 Soluble
84 G L -1.1613 Soluble
85 N L -1.2945 Soluble
86 T L -0.8555 Soluble
87 A L 0.0000 Buried
88 S L -0.3247 Soluble
89 L L 0.0000 Buried
90 T L -0.2673 Soluble
91 I L 0.0000 Buried
92 S L -1.1523 Soluble
93 G L -1.1781 Soluble
94 L L 0.0000 Buried
95 Q L -1.6928 Soluble
96 A L -1.4403 Soluble
97 E L -2.2106 Soluble
98 D L 0.0000 Buried
99 E L -1.4206 Soluble
100 A L 0.0000 Buried
101 D L -1.1581 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 0.2395 Aggregation-prone
108 T L 0.0000 Buried
109 S L -0.3810 Soluble
113 S L -0.3487 Soluble
114 S L -0.0493 Soluble
115 T L -0.1062 Soluble
116 R L 0.0000 Buried
117 V L 0.1435 Aggregation-prone
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 T L -0.5991 Soluble
121 G L -0.8962 Soluble
122 T L 0.0000 Buried
123 K L -1.8761 Soluble
124 V L 0.0000 Buried
125 T L -0.7348 Soluble
126 V L 0.0000 Buried
127 L L 0.0332 Aggregation-prone
128 G L -0.6645 Soluble
129 Q L -1.0172 Soluble
130 P L -1.4359 Soluble
131 K L -2.5674 Soluble
132 A L -1.9092 Soluble
133 N L -2.0833 Soluble
134 P L 0.0000 Buried
135 T L -0.3947 Soluble
136 V L 0.0000 Buried
137 T L -0.3245 Soluble
138 L L -0.2842 Soluble
139 F L 0.0000 Buried
140 P L -0.0573 Soluble
141 P L 0.0000 Buried
142 S L -1.1235 Soluble
143 S L -1.5259 Soluble
144 E L -2.4079 Soluble
145 E L 0.0000 Buried
146 L L -2.2290 Soluble
147 Q L -2.3745 Soluble
148 A L -1.9181 Soluble
149 N L -2.6847 Soluble
150 K L -2.5684 Soluble
151 A L 0.0000 Buried
152 T L 0.0000 Buried
153 L L 0.0000 Buried
154 V L 0.0000 Buried
155 C L 0.0000 Buried
156 L L 0.0000 Buried
157 I L 0.0000 Buried
158 S L 0.0000 Buried
159 D L -1.4134 Soluble
160 F L 0.0000 Buried
161 Y L -1.4268 Soluble
162 P L -0.9482 Soluble
163 G L -0.5718 Soluble
164 A L -0.3507 Soluble
165 V L -0.1634 Soluble
166 T L -0.0257 Soluble
167 V L 0.2175 Aggregation-prone
168 A L -0.3658 Soluble
169 W L 0.0000 Buried
170 K L -1.1677 Soluble
171 A L -1.3070 Soluble
172 D L -1.7856 Soluble
173 G L -1.2382 Soluble
174 S L -0.7725 Soluble
175 P L -1.0122 Soluble
176 V L -0.8209 Soluble
177 K L -1.6235 Soluble
178 A L -0.7602 Soluble
179 G L -0.5553 Soluble
180 V L -0.2306 Soluble
181 E L -0.2291 Soluble
182 T L -0.2683 Soluble
183 T L -0.7291 Soluble
184 K L -1.7100 Soluble
185 P L -0.9914 Soluble
186 S L -0.9402 Soluble
187 K L -1.1630 Soluble
188 Q L -1.2968 Soluble
189 S L -1.1621 Soluble
190 N L -1.6607 Soluble
191 N L -1.8624 Soluble
192 K L -1.8413 Soluble
193 Y L -0.9500 Soluble
194 A L 0.0000 Buried
195 A L 0.0000 Buried
196 S L 0.0000 Buried
197 S L 0.0000 Buried
198 Y L 0.0000 Buried
199 L L 0.0000 Buried
200 S L -0.5182 Soluble
201 L L 0.0000 Buried
202 T L -1.8619 Soluble
203 P L -2.4974 Soluble
204 E L -3.1718 Soluble
205 Q L -2.3513 Soluble
206 W L 0.0000 Buried
207 K L -3.0719 Soluble
208 S L -2.3734 Soluble
209 H L -2.4174 Soluble
210 R L -2.6047 Soluble
211 S L -1.6161 Soluble
212 Y L 0.0000 Buried
213 S L -0.9988 Soluble
214 C L 0.0000 Buried
215 Q L -0.9676 Soluble
216 V L 0.0000 Buried
217 T L -0.7633 Soluble
218 H L 0.0000 Buried
219 E L -2.4184 Soluble
220 G L -1.3716 Soluble
221 S L -1.2725 Soluble
222 T L -0.8546 Soluble
223 V L -0.8000 Soluble
224 E L -1.8640 Soluble
225 K L -1.4945 Soluble
226 T L -0.9009 Soluble
227 V L -0.2692 Soluble
228 A L -0.8494 Soluble
229 P L -0.9844 Soluble
230 T L -0.5462 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
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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 -0.6883 3.1075 CSV PDB
4.5 -0.7158 3.1075 CSV PDB
5.0 -0.7466 3.1075 CSV PDB
5.5 -0.7733 3.1075 CSV PDB
6.0 -0.7868 3.1075 CSV PDB
6.5 -0.7802 3.1075 CSV PDB
7.0 -0.7541 3.1075 CSV PDB
7.5 -0.7152 3.1074 CSV PDB
8.0 -0.669 3.1074 CSV PDB
8.5 -0.6176 3.1072 CSV PDB
9.0 -0.5625 3.1067 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH