Atezolizumab / 5x8l

A4DAB026_5x8l_H_M | Source PDB: 5x8l | Chains: H, M | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6156
Max Score
2.1117
Min Score
-3.7664
Total Score
-261.63
Score CDR
-0.1601
Score non-CDR
-0.6695

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGFTFSDSWIHWVRQAPGKGLEWVAWISPYGGSTYYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCARRHWPGGFDYWGQGTLVTVSSASTKGPSVFPLAPGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIQMTQSPSSLSASVGDRVTITCRASQDVSTAVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQYLYHPATFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input.pdb
Selected Chain(s) H (Heavy), M (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 -3.7664
Maximum Score 2.1117
Average Score -0.6156
Total Score -261.6283

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

Index Residue Chain A4D Score Classification
1 E H -2.1741 Soluble
2 V H -1.3406 Soluble
3 Q H -1.4325 Soluble
4 L H 0.0000 Buried
5 V H 0.7111 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.4050 Soluble
8 G H -0.7849 Soluble
9 G H -0.2584 Soluble
11 G H 0.2133 Aggregation-prone
12 L H 0.6535 Aggregation-prone
13 V H 0.0000 Buried
14 Q H -1.5379 Soluble
15 P H -1.5345 Soluble
16 G H -1.5027 Soluble
17 G H -1.0854 Soluble
18 S H -1.0214 Soluble
19 L H -0.9783 Soluble
20 R H -1.9482 Soluble
21 L H 0.0000 Buried
22 S H -0.3802 Soluble
23 C H 0.0000 Buried
24 A H -0.1202 Soluble
25 A H 0.0000 Buried
26 S H -1.1015 Soluble
27 G H -1.2978 Soluble
28 F H -0.8071 Soluble
29 T H -0.6612 Soluble
30 F H 0.0000 Buried
35 S H -0.6738 Soluble
36 D H -1.4823 Soluble
37 S H 0.0000 Buried
38 W H -0.0372 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 -0.6692 Soluble
45 A H -1.1047 Soluble
46 P H -1.0615 Soluble
47 G H -1.4705 Soluble
48 K H -2.3828 Soluble
49 G H -1.6275 Soluble
50 L H 0.0000 Buried
51 E H -0.9846 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 A H 0.0000 Buried
55 W H 0.3392 Aggregation-prone
56 I H 0.0000 Buried
57 S H -0.0608 Soluble
58 P H 0.0000 Buried
59 Y H 0.4600 Aggregation-prone
62 G H -0.0438 Soluble
63 G H -0.2800 Soluble
64 S H -0.1030 Soluble
65 T H 0.1980 Aggregation-prone
66 Y H 0.3712 Aggregation-prone
67 Y H -0.5734 Soluble
68 A H 0.0000 Buried
69 D H -2.4399 Soluble
70 S H -1.6352 Soluble
71 V H 0.0000 Buried
72 K H -2.5148 Soluble
74 G H -1.7412 Soluble
75 R H -1.5810 Soluble
76 F H 0.0000 Buried
77 T H -0.6605 Soluble
78 I H 0.0000 Buried
79 S H -0.2894 Soluble
80 A H -0.6017 Soluble
81 D H -1.1487 Soluble
82 T H -0.9321 Soluble
83 S H -1.3797 Soluble
84 K H -2.2146 Soluble
85 N H -1.5324 Soluble
86 T H -0.8455 Soluble
87 A H 0.0000 Buried
88 Y H -0.4749 Soluble
89 L H 0.0000 Buried
90 Q H -1.0273 Soluble
91 M H 0.0000 Buried
92 N H -1.2831 Soluble
93 S H -1.2387 Soluble
94 L H 0.0000 Buried
95 R H -2.5070 Soluble
96 A H -1.8506 Soluble
97 E H -2.2852 Soluble
98 D H 0.0000 Buried
99 T H -0.5836 Soluble
100 A H 0.0000 Buried
101 V H 0.4721 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 -0.1013 Soluble
107 R H 0.0899 Aggregation-prone
108 H H 0.3840 Aggregation-prone
109 W H 0.9526 Aggregation-prone
110 P H 0.5234 Aggregation-prone
113 G H 0.0000 Buried
114 G H 0.0000 Buried
115 F H 0.0000 Buried
116 D H 0.0000 Buried
117 Y H -0.0391 Soluble
118 W H -0.3478 Soluble
119 G H 0.0000 Buried
120 Q H -1.3037 Soluble
121 G H -0.4919 Soluble
122 T H 0.2138 Aggregation-prone
123 L H 0.8267 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.0808 Soluble
126 V H 0.0000 Buried
127 S H -0.6795 Soluble
128 S H -0.6927 Soluble
129 A H -0.4426 Soluble
130 S H -0.5754 Soluble
131 T H -0.7352 Soluble
132 K H -1.0366 Soluble
133 G H -1.2648 Soluble
134 P H 0.0000 Buried
135 S H -0.2772 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -0.9986 Soluble
139 L H 0.0000 Buried
140 A H -0.3958 Soluble
141 P H -0.3185 Soluble
142 G H -0.7432 Soluble
143 G H -0.8406 Soluble
144 T H -0.6372 Soluble
145 A H -0.3317 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 0.0000 Buried
153 D H -0.4849 Soluble
154 Y H 0.0000 Buried
155 F H 0.0000 Buried
156 P H -0.8391 Soluble
157 E H -1.1232 Soluble
158 P H -1.0984 Soluble
159 V H -0.8080 Soluble
160 T H -0.5868 Soluble
161 V H -0.2405 Soluble
162 S H -0.1802 Soluble
163 W H 0.0000 Buried
164 N H -0.6092 Soluble
165 S H -0.4244 Soluble
166 G H -0.4629 Soluble
167 A H -0.0764 Soluble
168 L H 0.2551 Aggregation-prone
169 T H -0.0367 Soluble
170 S H -0.3008 Soluble
171 G H -0.1159 Soluble
172 V H 0.3080 Aggregation-prone
173 H H 0.0000 Buried
174 T H 0.1145 Aggregation-prone
175 F H 0.0000 Buried
176 P H -0.2558 Soluble
177 A H 0.1807 Aggregation-prone
178 V H 0.6539 Aggregation-prone
179 L H 1.2357 Aggregation-prone
180 Q H 0.3217 Aggregation-prone
181 S H -0.0737 Soluble
182 S H -0.2019 Soluble
183 G H 0.0271 Aggregation-prone
184 L H 0.0157 Aggregation-prone
185 Y H 0.0000 Buried
186 S H 0.0000 Buried
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 -0.1631 Soluble
193 V H 0.0000 Buried
194 P H -0.5165 Soluble
195 S H -0.5679 Soluble
196 S H -0.4635 Soluble
197 S H -0.4146 Soluble
198 L H -0.4131 Soluble
199 G H -0.6365 Soluble
200 T H -0.3851 Soluble
201 Q H -0.4989 Soluble
202 T H -0.4405 Soluble
203 Y H -0.3948 Soluble
204 I H -1.1406 Soluble
205 C H 0.0000 Buried
206 N H -1.3955 Soluble
207 V H 0.0000 Buried
208 N H -1.7719 Soluble
209 H H 0.0000 Buried
210 K H -2.5437 Soluble
211 P H -1.5933 Soluble
212 S H 0.0000 Buried
213 N H -2.1385 Soluble
214 T H -2.0685 Soluble
215 K H -2.4759 Soluble
216 V H -1.5480 Soluble
217 D H -2.5956 Soluble
218 K H -2.1852 Soluble
219 K H -2.5584 Soluble
220 V H 0.0000 Buried
221 E H -1.7596 Soluble
222 P H -0.9732 Soluble
1 D M -2.2017 Soluble
2 I M 0.0000 Buried
3 Q M -2.2756 Soluble
4 M M 0.0000 Buried
5 T M -1.5255 Soluble
6 Q M 0.0000 Buried
7 S M -0.8168 Soluble
8 P M -0.6031 Soluble
9 S M -0.7875 Soluble
10 S M -0.8419 Soluble
11 L M -0.3582 Soluble
12 S M -0.6712 Soluble
13 A M 0.0000 Buried
14 S M -0.3453 Soluble
15 V M 0.3012 Aggregation-prone
16 G M -0.6779 Soluble
17 D M -1.4315 Soluble
18 R M -2.2106 Soluble
19 V M 0.0000 Buried
20 T M -0.5985 Soluble
21 I M 0.0000 Buried
22 T M -0.8718 Soluble
23 C M 0.0000 Buried
24 R M -2.9007 Soluble
25 A M 0.0000 Buried
26 S M -2.2011 Soluble
27 Q M -2.4183 Soluble
28 D M -2.4189 Soluble
29 V M 0.0000 Buried
36 S M -0.8232 Soluble
37 T M -0.3436 Soluble
38 A M 0.0000 Buried
39 V M 0.0000 Buried
40 A M 0.0000 Buried
41 W M 0.0000 Buried
42 Y M 0.0000 Buried
43 Q M 0.0000 Buried
44 Q M -1.1882 Soluble
45 K M -1.6405 Soluble
46 P M -1.4529 Soluble
47 G M -1.6690 Soluble
48 K M -2.5926 Soluble
49 A M -1.5757 Soluble
50 P M 0.0000 Buried
51 K M -1.2550 Soluble
52 L M 0.0000 Buried
53 L M 0.0000 Buried
54 I M 0.0000 Buried
55 Y M 1.0115 Aggregation-prone
56 S M 0.5018 Aggregation-prone
57 A M 0.0000 Buried
65 S M 0.7404 Aggregation-prone
66 F M 2.1117 Aggregation-prone
67 L M 1.3921 Aggregation-prone
68 Y M 0.5735 Aggregation-prone
69 S M 0.0028 Aggregation-prone
70 G M -0.4878 Soluble
71 V M 0.0000 Buried
72 P M -0.3604 Soluble
74 S M -0.4163 Soluble
75 R M -0.7358 Soluble
76 F M 0.0000 Buried
77 S M 0.1511 Aggregation-prone
78 G M 0.1853 Aggregation-prone
79 S M -0.3440 Soluble
80 G M -0.9985 Soluble
83 S M -1.0155 Soluble
84 G M -1.6181 Soluble
85 T M -2.1471 Soluble
86 D M -2.3493 Soluble
87 F M 0.0000 Buried
88 T M -0.7594 Soluble
89 L M 0.0000 Buried
90 T M -0.6124 Soluble
91 I M 0.0000 Buried
92 S M -1.2419 Soluble
93 S M -1.0706 Soluble
94 L M 0.0000 Buried
95 Q M -1.0350 Soluble
96 P M -0.8276 Soluble
97 E M -1.8530 Soluble
98 D M 0.0000 Buried
99 F M -0.3118 Soluble
100 A M 0.0000 Buried
101 T M -0.6826 Soluble
102 Y M 0.0000 Buried
103 Y M 0.0000 Buried
104 C M 0.0000 Buried
105 Q M 0.0000 Buried
106 Q M 0.0000 Buried
107 Y M 0.8196 Aggregation-prone
108 L M 1.2032 Aggregation-prone
109 Y M 0.5181 Aggregation-prone
114 H M -0.3175 Soluble
115 P M -0.7351 Soluble
116 A M -0.2424 Soluble
117 T M -0.7070 Soluble
118 F M 0.0000 Buried
119 G M 0.0000 Buried
120 Q M -1.8315 Soluble
121 G M 0.0000 Buried
122 T M 0.0000 Buried
123 K M -0.9971 Soluble
124 V M 0.0000 Buried
125 E M -0.7351 Soluble
126 I M -0.0635 Soluble
127 K M -1.0366 Soluble
128 R M -0.8724 Soluble
129 T M 0.1151 Aggregation-prone
130 V M 1.1765 Aggregation-prone
131 A M 0.4656 Aggregation-prone
132 A M 0.0288 Aggregation-prone
133 P M 0.0000 Buried
134 S M -0.1476 Soluble
135 V M 0.0000 Buried
136 F M 0.1405 Aggregation-prone
137 I M 0.0655 Aggregation-prone
138 F M 0.0000 Buried
139 P M -0.9678 Soluble
140 P M -0.7258 Soluble
141 S M -1.2796 Soluble
142 D M -2.4942 Soluble
143 E M -1.9947 Soluble
144 Q M 0.0000 Buried
145 L M -1.7740 Soluble
146 K M -2.3070 Soluble
147 S M -1.4925 Soluble
148 G M -1.2835 Soluble
149 T M -1.1110 Soluble
150 A M 0.0000 Buried
151 S M 0.0000 Buried
152 V M 0.0000 Buried
153 V M 0.0000 Buried
154 C M 0.0000 Buried
155 L M 0.0000 Buried
156 L M 0.0000 Buried
157 N M 0.0000 Buried
158 N M -0.7802 Soluble
159 F M 0.0000 Buried
160 Y M 0.0000 Buried
161 P M -1.0839 Soluble
162 R M -2.0577 Soluble
163 E M -2.6835 Soluble
164 A M -2.1069 Soluble
165 K M -2.3731 Soluble
166 V M -1.2124 Soluble
167 Q M -0.9562 Soluble
168 W M 0.0000 Buried
169 K M -0.9657 Soluble
170 V M 0.0000 Buried
171 D M -2.5507 Soluble
172 N M -2.0083 Soluble
173 A M -0.7185 Soluble
174 L M 0.4849 Aggregation-prone
175 Q M -0.6160 Soluble
176 S M -0.6344 Soluble
177 G M -1.1403 Soluble
178 N M -1.2271 Soluble
179 S M -1.4200 Soluble
180 Q M -1.5282 Soluble
181 E M -1.9292 Soluble
182 S M -0.7641 Soluble
183 V M -0.5154 Soluble
184 T M 0.0000 Buried
185 E M -2.0590 Soluble
186 Q M -1.6738 Soluble
187 D M -1.8603 Soluble
188 S M -1.7341 Soluble
189 K M -2.3873 Soluble
190 D M -2.0346 Soluble
191 S M -1.8023 Soluble
192 T M 0.0000 Buried
193 Y M 0.0000 Buried
194 S M 0.0000 Buried
195 L M 0.0000 Buried
196 S M 0.0000 Buried
197 S M 0.0000 Buried
198 T M -0.7952 Soluble
199 L M 0.0000 Buried
200 T M -0.4445 Soluble
201 L M -0.5210 Soluble
202 S M -1.2410 Soluble
203 K M -2.1865 Soluble
204 A M -1.8954 Soluble
205 D M -2.6373 Soluble
206 Y M 0.0000 Buried
207 E M -3.7664 Soluble
208 K M -3.7218 Soluble
209 H M -3.3627 Soluble
210 K M -3.2443 Soluble
211 V M -1.5833 Soluble
212 Y M 0.0000 Buried
213 A M 0.0000 Buried
214 C M 0.0000 Buried
215 E M -1.0101 Soluble
216 V M 0.0000 Buried
217 T M -1.3118 Soluble
218 H M 0.0000 Buried
219 Q M -1.5576 Soluble
220 G M -0.3466 Soluble
221 L M -0.2252 Soluble
222 S M -0.4785 Soluble
223 S M -0.4384 Soluble
224 P M -0.6244 Soluble
225 V M -0.0554 Soluble
226 T M -0.5245 Soluble
227 K M -0.7529 Soluble
228 S M -0.6447 Soluble
229 F M 0.0000 Buried
230 N M -2.5250 Soluble
231 R M -3.2260 Soluble
232 G M -2.2237 Soluble
233 E M -2.7020 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 -0.5493 4.0486 CSV PDB
4.5 -0.5951 4.057 CSV PDB
5.0 -0.6473 4.0702 CSV PDB
5.5 -0.6965 4.0834 CSV PDB
6.0 -0.7327 4.0919 CSV PDB
6.5 -0.7479 4.0957 CSV PDB
7.0 -0.742 4.097 CSV PDB
7.5 -0.7222 4.0975 CSV PDB
8.0 -0.6944 4.0976 CSV PDB
8.5 -0.66 4.0977 CSV PDB
9.0 -0.6182 4.0976 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH