Atezolizumab / 5xxy

A4DAB026_5xxy_H_L | Source PDB: 5xxy | Chains: H, L | Done
99.55
Yes
10 Å
Yes
Avg A4D Score
-0.6532
Max Score
2.1638
Min Score
-3.5078
Total Score
-273.71
Score CDR
-0.1812
Score non-CDR
-0.71

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGFTFSDSWIHWVRQAPGKGLEWVAWISPYGGSTYYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCARRHWPGGFDYWGQGTLVTVSAASTKGPSVFPLAPSSTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSQTYICNVNHKPSNTKVDKKVEPDIQMTQSPSSLSASVGDRVTITCRASQDVSTAVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQYLYHPATFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR 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 -3.5078
Maximum Score 2.1638
Average Score -0.6532
Total Score -273.7068

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

Index Residue Chain A4D Score Classification
1 E H -2.0925 Soluble
2 V H -0.9915 Soluble
3 Q H -1.3291 Soluble
4 L H 0.0000 Buried
5 V H 0.5381 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.4833 Soluble
8 G H -0.7943 Soluble
9 G H -0.7020 Soluble
11 G H -0.4004 Soluble
12 L H -0.2463 Soluble
13 V H 0.0000 Buried
14 Q H -1.6088 Soluble
15 P H -1.8551 Soluble
16 G H -1.5461 Soluble
17 G H -1.2765 Soluble
18 S H -1.5679 Soluble
19 L H -1.3402 Soluble
20 R H -2.1999 Soluble
21 L H 0.0000 Buried
22 S H -0.3944 Soluble
23 C H 0.0000 Buried
24 A H -0.2171 Soluble
25 A H 0.0000 Buried
26 S H -0.7495 Soluble
27 G H -1.0272 Soluble
28 F H -0.5459 Soluble
29 T H -0.6607 Soluble
30 F H 0.0000 Buried
35 S H -0.7045 Soluble
36 D H -1.4903 Soluble
37 S H 0.0000 Buried
38 W H -0.0336 Soluble
39 I H 0.0000 Buried
40 H 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 -0.8905 Soluble
45 A H -1.1624 Soluble
46 P H -1.0094 Soluble
47 G H -1.4595 Soluble
48 K H -2.3871 Soluble
49 G H -1.6611 Soluble
50 L H 0.0000 Buried
51 E H -1.4620 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 A H 0.0000 Buried
55 W H 0.2634 Aggregation-prone
56 I H 0.0000 Buried
57 S H -0.1140 Soluble
58 P H 0.0000 Buried
59 Y H 0.4304 Aggregation-prone
62 G H -0.1329 Soluble
63 G H -0.3205 Soluble
64 S H -0.1610 Soluble
65 T H 0.1048 Aggregation-prone
66 Y H 0.2218 Aggregation-prone
67 Y H -0.5634 Soluble
68 A H -1.4346 Soluble
69 D H -2.5904 Soluble
70 S H -1.5266 Soluble
71 V H 0.0000 Buried
72 K H -2.4811 Soluble
74 G H -1.8162 Soluble
75 R H -1.7023 Soluble
76 F H 0.0000 Buried
77 T H -1.0335 Soluble
78 I H 0.0000 Buried
79 S H -0.5137 Soluble
80 A H -0.7121 Soluble
81 D H -1.4589 Soluble
82 T H -1.1837 Soluble
83 S H -1.3328 Soluble
84 K H -2.2397 Soluble
85 N H -1.5846 Soluble
86 T H 0.0000 Buried
87 A H 0.0000 Buried
88 Y H -0.6040 Soluble
89 L H 0.0000 Buried
90 Q H -1.8061 Soluble
91 M H 0.0000 Buried
92 N H -2.0419 Soluble
93 S H -1.4783 Soluble
94 L H 0.0000 Buried
95 R H -2.6134 Soluble
96 A H -1.8123 Soluble
97 E H -2.3045 Soluble
98 D H 0.0000 Buried
99 T H -0.8072 Soluble
100 A H 0.0000 Buried
101 V H 0.1145 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 0.0449 Aggregation-prone
107 R H 0.1229 Aggregation-prone
108 H H 0.3706 Aggregation-prone
109 W H 0.9434 Aggregation-prone
110 P H 0.4842 Aggregation-prone
113 G H 0.0000 Buried
114 G H 0.0000 Buried
115 F H 0.0000 Buried
116 D H 0.0050 Aggregation-prone
117 Y H 0.0895 Aggregation-prone
118 W H -0.3222 Soluble
119 G H 0.0000 Buried
120 Q H -1.4062 Soluble
121 G H -0.7417 Soluble
122 T H -0.1819 Soluble
123 L H 0.0679 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.5042 Soluble
126 V H 0.0000 Buried
127 S H -0.7525 Soluble
128 A H -0.4956 Soluble
129 A H -0.4026 Soluble
130 S H -0.6627 Soluble
131 T H -0.9837 Soluble
132 K H -1.7977 Soluble
133 G H -1.6360 Soluble
134 P H 0.0000 Buried
135 S H -0.4111 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.0475 Soluble
139 L H 0.0000 Buried
140 A H -0.8188 Soluble
141 P H -0.5448 Soluble
142 S H -0.5374 Soluble
143 S H -0.4430 Soluble
144 T H -0.2931 Soluble
145 A H -0.2762 Soluble
146 A H 0.0000 Buried
147 L H 0.0000 Buried
148 G H 0.0000 Buried
149 C H 0.0000 Buried
150 L H 0.0000 Buried
151 V H 0.0000 Buried
152 K H -0.3626 Soluble
153 D H -0.6629 Soluble
154 Y H 0.0000 Buried
155 F H 0.0000 Buried
156 P H 0.0000 Buried
157 E H -0.5492 Soluble
158 P H -0.6269 Soluble
159 V H -0.3180 Soluble
160 T H -0.4444 Soluble
161 V H -0.3554 Soluble
162 S H -0.4175 Soluble
163 W H 0.0000 Buried
164 N H -0.8886 Soluble
165 S H -0.7500 Soluble
166 G H -0.6075 Soluble
167 A H -0.3053 Soluble
168 L H -0.0682 Soluble
169 T H -0.2132 Soluble
170 S H -0.2112 Soluble
171 G H -0.2503 Soluble
172 V H 0.1403 Aggregation-prone
173 H H -0.2220 Soluble
174 T H 0.0517 Aggregation-prone
175 F H 0.0000 Buried
176 P H -0.0980 Soluble
177 A H 0.2285 Aggregation-prone
178 V H 0.7019 Aggregation-prone
179 L H 1.2223 Aggregation-prone
180 Q H 0.2072 Aggregation-prone
181 S H -0.1715 Soluble
182 S H -0.2575 Soluble
183 G H -0.1205 Soluble
184 L H 0.0092 Aggregation-prone
185 Y H 0.3365 Aggregation-prone
186 S H 0.1565 Aggregation-prone
187 L H 0.0000 Buried
188 S H 0.0000 Buried
189 S H 0.0000 Buried
190 V H 0.0000 Buried
191 V H 0.0000 Buried
192 T H -0.1608 Soluble
193 V H 0.0000 Buried
194 P H -0.5923 Soluble
195 S H -0.5394 Soluble
196 S H -0.6071 Soluble
197 Q H -1.4093 Soluble
198 T H -1.1832 Soluble
199 Y H -0.9883 Soluble
200 I H -1.4629 Soluble
201 C H 0.0000 Buried
202 N H -1.5392 Soluble
203 V H 0.0000 Buried
204 N H -1.7956 Soluble
205 H H 0.0000 Buried
206 K H -2.6950 Soluble
207 P H -1.7225 Soluble
208 S H -1.9786 Soluble
209 N H -2.6685 Soluble
210 T H -2.1088 Soluble
211 K H -2.6975 Soluble
212 V H -1.5872 Soluble
213 D H -2.7105 Soluble
214 K H -2.4695 Soluble
215 K H -2.7524 Soluble
216 V H 0.0000 Buried
217 E H -2.5460 Soluble
218 P H -1.4014 Soluble
1 D L -2.3779 Soluble
2 I L 0.0000 Buried
3 Q L -2.2704 Soluble
4 M L 0.0000 Buried
5 T L -1.4285 Soluble
6 Q L 0.0000 Buried
7 S L -0.7953 Soluble
8 P L -0.5256 Soluble
9 S L -0.8040 Soluble
10 S L -0.7109 Soluble
11 L L -0.5107 Soluble
12 S L -0.7928 Soluble
13 A L -0.8051 Soluble
14 S L -0.6649 Soluble
15 V L 0.4652 Aggregation-prone
16 G L -0.3914 Soluble
17 D L -1.3346 Soluble
18 R L -2.1348 Soluble
19 V L 0.0000 Buried
20 T L -0.6521 Soluble
21 I L 0.0000 Buried
22 T L -0.8133 Soluble
23 C L 0.0000 Buried
24 R L -2.8263 Soluble
25 A L 0.0000 Buried
26 S L -2.2167 Soluble
27 Q L -2.6097 Soluble
28 D L -2.7604 Soluble
29 V L 0.0000 Buried
36 S L -0.8946 Soluble
37 T L -0.4932 Soluble
38 A L 0.1871 Aggregation-prone
39 V 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 -1.7322 Soluble
46 P L -1.3559 Soluble
47 G L -1.7253 Soluble
48 K L -2.5061 Soluble
49 A L -1.4688 Soluble
50 P L 0.0000 Buried
51 K L -1.1509 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 1.0214 Aggregation-prone
56 S L 0.5174 Aggregation-prone
57 A L 0.0000 Buried
65 S L 0.7623 Aggregation-prone
66 F L 2.1638 Aggregation-prone
67 L L 1.5086 Aggregation-prone
68 Y L 0.7116 Aggregation-prone
69 S L -0.0134 Soluble
70 G L -0.4798 Soluble
71 V L 0.0000 Buried
72 P L -0.3765 Soluble
74 S L -0.4403 Soluble
75 R L -0.8896 Soluble
76 F L 0.0000 Buried
77 S L 0.0170 Aggregation-prone
78 G L 0.2593 Aggregation-prone
79 S L -0.2976 Soluble
80 G L -0.9073 Soluble
83 S L -0.9170 Soluble
84 G L -1.5650 Soluble
85 T L -2.0722 Soluble
86 D L -2.0013 Soluble
87 F L 0.0000 Buried
88 T L -0.6998 Soluble
89 L L 0.0000 Buried
90 T L -0.6498 Soluble
91 I L 0.0000 Buried
92 S L -1.3759 Soluble
93 S L -0.9525 Soluble
94 L L 0.0000 Buried
95 Q L -0.9132 Soluble
96 P L -1.5485 Soluble
97 E L -1.8963 Soluble
98 D L 0.0000 Buried
99 F L 0.0000 Buried
100 A L 0.0000 Buried
101 T L -0.8081 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 L L 0.9992 Aggregation-prone
109 Y L 0.5594 Aggregation-prone
114 H L -0.2333 Soluble
115 P L -0.7249 Soluble
116 A L 0.0000 Buried
117 T L -0.8684 Soluble
118 F L 0.0000 Buried
119 G L -1.1683 Soluble
120 Q L -1.6755 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.2977 Soluble
124 V L 0.0000 Buried
125 E L -1.1466 Soluble
126 I L 0.0000 Buried
127 K L -1.3128 Soluble
128 R L -0.8979 Soluble
129 T L -0.0851 Soluble
130 V L 0.5895 Aggregation-prone
131 A L 0.2311 Aggregation-prone
132 A L -0.0525 Soluble
133 P L 0.0000 Buried
134 S L -0.0956 Soluble
135 V L 0.0000 Buried
136 F L 0.1663 Aggregation-prone
137 I L 0.1634 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.6956 Soluble
140 P L -0.8144 Soluble
141 S L -1.7734 Soluble
142 D L -3.1697 Soluble
143 E L -3.2885 Soluble
144 Q L 0.0000 Buried
145 L L -2.5504 Soluble
146 K L -2.9959 Soluble
147 S L -1.9196 Soluble
148 G L -1.7167 Soluble
149 T L -1.3172 Soluble
150 A L 0.0000 Buried
151 S L 0.0000 Buried
152 V L 0.0000 Buried
153 V L 0.0000 Buried
154 C L 0.0000 Buried
155 L L 0.0000 Buried
156 L L 0.0000 Buried
157 N L 0.0000 Buried
158 N L -0.7810 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.3028 Soluble
162 R L -1.9295 Soluble
163 E L -2.7757 Soluble
164 A L -2.0707 Soluble
165 K L -2.2258 Soluble
166 V L -1.0459 Soluble
167 Q L -0.6514 Soluble
168 W L 0.0000 Buried
169 K L -0.7257 Soluble
170 V L 0.0000 Buried
171 D L -2.1454 Soluble
172 N L -1.6511 Soluble
173 A L -0.3559 Soluble
174 L L 0.6356 Aggregation-prone
175 Q L -0.2792 Soluble
176 S L -0.4370 Soluble
177 G L -0.8840 Soluble
178 N L -0.7869 Soluble
179 S L -1.0044 Soluble
180 Q L -1.0177 Soluble
181 E L -1.2746 Soluble
182 S L -0.4156 Soluble
183 V L -0.3174 Soluble
184 T L -0.5592 Soluble
185 E L -1.3674 Soluble
186 Q L 0.0000 Buried
187 D L -1.9343 Soluble
188 S L -2.1249 Soluble
189 K L -2.5835 Soluble
190 D L -1.8780 Soluble
191 S L 0.0000 Buried
192 T L 0.0000 Buried
193 Y L 0.0000 Buried
194 S L 0.0000 Buried
195 L L 0.0000 Buried
196 S L 0.0000 Buried
197 S L 0.0000 Buried
198 T L -0.4564 Soluble
199 L L 0.0000 Buried
200 T L -0.2662 Soluble
201 L L -0.6133 Soluble
202 S L -1.0740 Soluble
203 K L -2.0691 Soluble
204 A L -1.7286 Soluble
205 D L -2.3796 Soluble
206 Y L 0.0000 Buried
207 E L -3.3490 Soluble
208 K L -3.3448 Soluble
209 H L -3.1492 Soluble
210 K L -3.5078 Soluble
211 V L -2.1690 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.8138 Soluble
216 V L 0.0000 Buried
217 T L -1.1562 Soluble
218 H L 0.0000 Buried
219 Q L -1.6518 Soluble
220 G L -0.4143 Soluble
221 L L -0.2246 Soluble
222 S L -0.4701 Soluble
223 S L -0.4272 Soluble
224 P L -0.6563 Soluble
225 V L -0.1151 Soluble
226 T L -0.6152 Soluble
227 K L -0.9252 Soluble
228 S L -0.7591 Soluble
229 F L -1.2534 Soluble
230 N L -2.6183 Soluble
231 R L -2.9970 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 -0.6633 4.0705 CSV PDB
4.5 -0.7056 4.0726 CSV PDB
5.0 -0.754 4.0792 CSV PDB
5.5 -0.7997 4.0883 CSV PDB
6.0 -0.8327 4.0942 CSV PDB
6.5 -0.8443 4.0944 CSV PDB
7.0 -0.8343 4.0906 CSV PDB
7.5 -0.8096 4.0853 CSV PDB
8.0 -0.7764 4.0795 CSV PDB
8.5 -0.7362 4.0738 CSV PDB
9.0 -0.6884 4.0689 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH