Atezolizumab / 5x8l

A4DAB026_5x8l_F_K | Source PDB: 5x8l | Chains: F, K | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6838
Max Score
2.0585
Min Score
-3.6092
Total Score
-290.61
Score CDR
-0.2015
Score non-CDR
-0.7409

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGFTFSDSWIHWVRQAPGKGLEWVAWISPYGGSTYYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCARRHWPGGFDYWGQGTLVTVSSASTKGPSVFPLAPSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIQMTQSPSSLSASVGDRVTITCRASQDVSTAVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQYLYHPATFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input.pdb
Selected Chain(s) F (Heavy), K (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 -3.6092
Maximum Score 2.0585
Average Score -0.6838
Total Score -290.6094

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

Index Residue Chain A4D Score Classification
1 E F -2.1447 Soluble
2 V F -1.4213 Soluble
3 Q F -1.5528 Soluble
4 L F 0.0000 Buried
5 V F 0.3107 Aggregation-prone
6 E F 0.0000 Buried
7 S F -0.5773 Soluble
8 G F -0.9382 Soluble
9 G F -0.4828 Soluble
11 G F -0.1434 Soluble
12 L F 0.1791 Aggregation-prone
13 V F -0.4244 Soluble
14 Q F -1.4965 Soluble
15 P F -1.7958 Soluble
16 G F -1.4966 Soluble
17 G F -1.1339 Soluble
18 S F -1.0559 Soluble
19 L F -1.0201 Soluble
20 R F -2.0135 Soluble
21 L F 0.0000 Buried
22 S F -0.4694 Soluble
23 C F 0.0000 Buried
24 A F -0.2639 Soluble
25 A F 0.0000 Buried
26 S F -0.9206 Soluble
27 G F -1.1852 Soluble
28 F F -0.7323 Soluble
29 T F -0.6494 Soluble
30 F F 0.0000 Buried
35 S F -0.6494 Soluble
36 D F -1.5067 Soluble
37 S F 0.0000 Buried
38 W F 0.1011 Aggregation-prone
39 I F 0.0000 Buried
40 H F 0.0000 Buried
41 W F 0.0000 Buried
42 V F 0.0000 Buried
43 R F 0.0000 Buried
44 Q F -0.8083 Soluble
45 A F -1.1484 Soluble
46 P F -0.8797 Soluble
47 G F -1.4215 Soluble
48 K F -2.4124 Soluble
49 G F -1.7582 Soluble
50 L F 0.0000 Buried
51 E F -1.4661 Soluble
52 W F 0.0000 Buried
53 V F 0.0000 Buried
54 A F 0.0000 Buried
55 W F 0.3803 Aggregation-prone
56 I F 0.0000 Buried
57 S F -0.0751 Soluble
58 P F 0.0000 Buried
59 Y F 0.4094 Aggregation-prone
62 G F -0.3320 Soluble
63 G F -0.5676 Soluble
64 S F -0.2116 Soluble
65 T F 0.1245 Aggregation-prone
66 Y F 0.2692 Aggregation-prone
67 Y F -0.6414 Soluble
68 A F 0.0000 Buried
69 D F -2.4348 Soluble
70 S F -1.8305 Soluble
71 V F 0.0000 Buried
72 K F -2.5036 Soluble
74 G F -1.7542 Soluble
75 R F -1.5148 Soluble
76 F F 0.0000 Buried
77 T F -0.7193 Soluble
78 I F 0.0000 Buried
79 S F -0.2943 Soluble
80 A F -0.6196 Soluble
81 D F -1.2119 Soluble
82 T F -0.9893 Soluble
83 S F -1.4029 Soluble
84 K F -2.2282 Soluble
85 N F -1.5520 Soluble
86 T F -0.9083 Soluble
87 A F 0.0000 Buried
88 Y F -0.5156 Soluble
89 L F 0.0000 Buried
90 Q F -1.1517 Soluble
91 M F 0.0000 Buried
92 N F -1.5117 Soluble
93 S F -1.3757 Soluble
94 L F 0.0000 Buried
95 R F -2.5915 Soluble
96 A F -1.8540 Soluble
97 E F -2.3484 Soluble
98 D F 0.0000 Buried
99 T F -0.6858 Soluble
100 A F 0.0000 Buried
101 V F 0.2791 Aggregation-prone
102 Y F 0.0000 Buried
103 Y F 0.0000 Buried
104 C F 0.0000 Buried
105 A F 0.0000 Buried
106 R F -0.1368 Soluble
107 R F 0.0000 Buried
108 H F 0.3793 Aggregation-prone
109 W F 0.9970 Aggregation-prone
110 P F 0.5312 Aggregation-prone
113 G F 0.0000 Buried
114 G F 0.0000 Buried
115 F F 0.0000 Buried
116 D F -0.1983 Soluble
117 Y F -0.4346 Soluble
118 W F -0.6077 Soluble
119 G F 0.0000 Buried
120 Q F -1.5541 Soluble
121 G F -0.6661 Soluble
122 T F -0.0364 Soluble
123 L F 0.4450 Aggregation-prone
124 V F 0.0000 Buried
125 T F 0.0000 Buried
126 V F 0.0000 Buried
127 S F -0.9803 Soluble
128 S F -0.7787 Soluble
129 A F -0.5198 Soluble
130 S F -0.6069 Soluble
131 T F -0.9141 Soluble
132 K F -1.5934 Soluble
133 G F -1.7139 Soluble
134 P F 0.0000 Buried
135 S F -0.5434 Soluble
136 V F 0.0000 Buried
137 F F 0.0000 Buried
138 P F -1.1785 Soluble
139 L F 0.0000 Buried
140 A F -0.8233 Soluble
141 P F 0.0000 Buried
142 S F -0.5686 Soluble
143 G F -0.6376 Soluble
144 T F -0.4361 Soluble
145 A F -0.2198 Soluble
146 A F 0.0000 Buried
147 L F 0.0000 Buried
148 G F 0.0000 Buried
149 C F 0.0000 Buried
150 L F 0.0000 Buried
151 V F 0.0000 Buried
152 K F 0.0000 Buried
153 D F -0.7377 Soluble
154 Y F 0.0000 Buried
155 F F 0.0000 Buried
156 P F 0.0000 Buried
157 E F -0.3775 Soluble
158 P F -0.6665 Soluble
159 V F -0.7573 Soluble
160 T F -0.6325 Soluble
161 V F -0.1857 Soluble
162 S F -0.3432 Soluble
163 W F 0.0000 Buried
164 N F -0.6671 Soluble
165 S F -0.5629 Soluble
166 G F -0.5298 Soluble
167 A F -0.2230 Soluble
168 L F 0.0023 Aggregation-prone
169 T F -0.1360 Soluble
170 S F -0.3753 Soluble
171 G F -0.2278 Soluble
172 V F 0.1566 Aggregation-prone
173 H F 0.0000 Buried
174 T F 0.0439 Aggregation-prone
175 F F 0.0000 Buried
176 P F -0.3357 Soluble
177 A F 0.1836 Aggregation-prone
178 V F 0.3416 Aggregation-prone
179 L F 1.0460 Aggregation-prone
180 Q F 0.1534 Aggregation-prone
181 S F -0.1285 Soluble
182 S F -0.3458 Soluble
183 G F -0.1584 Soluble
184 L F 0.0000 Buried
185 Y F 0.2349 Aggregation-prone
186 S F 0.0000 Buried
187 L F 0.0000 Buried
188 S F 0.0000 Buried
189 S F 0.0000 Buried
190 V F 0.0000 Buried
191 V F 0.0000 Buried
192 T F -0.1057 Soluble
193 V F 0.0000 Buried
194 P F -0.5335 Soluble
195 S F -0.4987 Soluble
196 S F -0.5738 Soluble
197 S F -0.5687 Soluble
198 L F -0.7079 Soluble
199 G F -1.0121 Soluble
200 T F -0.7397 Soluble
201 Q F -1.2725 Soluble
202 T F -1.1426 Soluble
203 Y F 0.0000 Buried
204 I F -1.1069 Soluble
205 C F 0.0000 Buried
206 N F -1.2738 Soluble
207 V F 0.0000 Buried
208 N F -2.1441 Soluble
209 H F 0.0000 Buried
210 K F -2.9308 Soluble
211 P F -1.7350 Soluble
212 S F -2.0608 Soluble
213 N F -2.7800 Soluble
214 T F -2.2986 Soluble
215 K F -2.7180 Soluble
216 V F -1.5472 Soluble
217 D F -1.8641 Soluble
218 K F -1.8298 Soluble
219 K F -2.3564 Soluble
220 V F 0.0000 Buried
221 E F -2.4796 Soluble
222 P F -1.1987 Soluble
1 D K -2.2017 Soluble
2 I K 0.0000 Buried
3 Q K -2.2957 Soluble
4 M K 0.0000 Buried
5 T K -1.4000 Soluble
6 Q K 0.0000 Buried
7 S K -0.9636 Soluble
8 P K -0.5743 Soluble
9 S K -0.9172 Soluble
10 S K -0.7980 Soluble
11 L K -0.4985 Soluble
12 S K -0.8748 Soluble
13 A K 0.0000 Buried
14 S K -0.7597 Soluble
15 V K 0.0895 Aggregation-prone
16 G K -0.7649 Soluble
17 D K -1.6008 Soluble
18 R K -2.3003 Soluble
19 V K 0.0000 Buried
20 T K -0.6190 Soluble
21 I K 0.0000 Buried
22 T K -1.0147 Soluble
23 C K 0.0000 Buried
24 R K -3.1592 Soluble
25 A K 0.0000 Buried
26 S K -2.4316 Soluble
27 Q K -2.8978 Soluble
28 D K -2.7046 Soluble
29 V K 0.0000 Buried
36 S K -0.9470 Soluble
37 T K -0.3397 Soluble
38 A K 0.0000 Buried
39 V K 0.0000 Buried
40 A K 0.0000 Buried
41 W K 0.0000 Buried
42 Y K 0.0000 Buried
43 Q K 0.0000 Buried
44 Q K -1.3996 Soluble
45 K K -1.6460 Soluble
46 P K -1.5430 Soluble
47 G K -1.7130 Soluble
48 K K -2.6501 Soluble
49 A K -1.6799 Soluble
50 P K 0.0000 Buried
51 K K -1.5443 Soluble
52 L K 0.0000 Buried
53 L K 0.0000 Buried
54 I K 0.0000 Buried
55 Y K 0.9260 Aggregation-prone
56 S K 0.4408 Aggregation-prone
57 A K 0.0000 Buried
65 S K 0.6877 Aggregation-prone
66 F K 2.0585 Aggregation-prone
67 L K 1.3124 Aggregation-prone
68 Y K 0.4733 Aggregation-prone
69 S K -0.0479 Soluble
70 G K -0.4929 Soluble
71 V K 0.0000 Buried
72 P K -0.3714 Soluble
74 S K -0.4295 Soluble
75 R K -0.7482 Soluble
76 F K 0.0000 Buried
77 S K 0.0233 Aggregation-prone
78 G K 0.1167 Aggregation-prone
79 S K -0.5165 Soluble
80 G K -1.0498 Soluble
83 S K -1.2224 Soluble
84 G K -1.9372 Soluble
85 T K -2.5693 Soluble
86 D K -3.0414 Soluble
87 F K 0.0000 Buried
88 T K -0.9207 Soluble
89 L K 0.0000 Buried
90 T K -0.6067 Soluble
91 I K 0.0000 Buried
92 S K -1.2946 Soluble
93 S K -1.1150 Soluble
94 L K 0.0000 Buried
95 Q K -1.0851 Soluble
96 P K -0.8743 Soluble
97 E K -1.8173 Soluble
98 D K 0.0000 Buried
99 F K -0.5152 Soluble
100 A K 0.0000 Buried
101 T K -0.9552 Soluble
102 Y K 0.0000 Buried
103 Y K 0.0000 Buried
104 C K 0.0000 Buried
105 Q K 0.0000 Buried
106 Q K 0.0000 Buried
107 Y K 0.8780 Aggregation-prone
108 L K 1.3428 Aggregation-prone
109 Y K 0.6693 Aggregation-prone
114 H K -0.3171 Soluble
115 P K -0.7462 Soluble
116 A K -0.2252 Soluble
117 T K -0.7706 Soluble
118 F K 0.0000 Buried
119 G K 0.0000 Buried
120 Q K -2.0345 Soluble
121 G K -1.4222 Soluble
122 T K 0.0000 Buried
123 K K -1.5709 Soluble
124 V K 0.0000 Buried
125 E K -1.1467 Soluble
126 I K -0.6995 Soluble
127 K K -1.6916 Soluble
128 R K -1.4622 Soluble
129 T K -0.3896 Soluble
130 V K 0.1362 Aggregation-prone
131 A K 0.0261 Aggregation-prone
132 A K -0.0986 Soluble
133 P K 0.0000 Buried
134 S K -0.1029 Soluble
135 V K 0.0000 Buried
136 F K 0.1278 Aggregation-prone
137 I K 0.1079 Aggregation-prone
138 F K 0.0000 Buried
139 P K -0.6415 Soluble
140 P K -0.8893 Soluble
141 S K 0.0000 Buried
142 D K -2.9004 Soluble
143 E K -2.8336 Soluble
144 Q K 0.0000 Buried
145 L K -2.2306 Soluble
146 K K -2.7868 Soluble
147 S K -1.7440 Soluble
148 G K -1.3028 Soluble
149 T K -0.8311 Soluble
150 A K 0.0000 Buried
151 S K 0.0000 Buried
152 V K 0.0000 Buried
153 V K 0.0000 Buried
154 C K 0.0000 Buried
155 L K 0.0000 Buried
156 L K 0.0000 Buried
157 N K 0.0000 Buried
158 N K -0.8130 Soluble
159 F K 0.0000 Buried
160 Y K 0.0000 Buried
161 P K -1.8443 Soluble
162 R K -2.9695 Soluble
163 E K -3.0893 Soluble
164 A K -2.0696 Soluble
165 K K -1.8745 Soluble
166 V K -0.7175 Soluble
167 Q K -0.3529 Soluble
168 W K 0.0000 Buried
169 K K -0.6873 Soluble
170 V K 0.0000 Buried
171 D K -2.8206 Soluble
172 N K -2.0711 Soluble
173 A K -0.7110 Soluble
174 L K 0.5051 Aggregation-prone
175 Q K -0.3769 Soluble
176 S K -0.5276 Soluble
177 G K -0.8974 Soluble
178 N K -0.7497 Soluble
179 S K -1.1243 Soluble
180 Q K -1.4988 Soluble
181 E K -1.9958 Soluble
182 S K 0.0000 Buried
183 V K -0.9013 Soluble
184 T K -1.2145 Soluble
185 E K -2.3195 Soluble
186 Q K -1.9653 Soluble
187 D K -1.9505 Soluble
188 S K -1.7644 Soluble
189 K K -2.2661 Soluble
190 D K -1.7762 Soluble
191 S K -1.8491 Soluble
192 T K 0.0000 Buried
193 Y K 0.0000 Buried
194 S K 0.0000 Buried
195 L K 0.0000 Buried
196 S K 0.0000 Buried
197 S K 0.0000 Buried
198 T K -0.6724 Soluble
199 L K 0.0000 Buried
200 T K -0.4116 Soluble
201 L K -0.6245 Soluble
202 S K -1.2231 Soluble
203 K K -2.0597 Soluble
204 A K -1.7972 Soluble
205 D K -2.3891 Soluble
206 Y K 0.0000 Buried
207 E K -3.3899 Soluble
208 K K -3.6092 Soluble
209 H K -3.4778 Soluble
210 K K -3.3710 Soluble
211 V K -2.2611 Soluble
212 Y K 0.0000 Buried
213 A K 0.0000 Buried
214 C K 0.0000 Buried
215 E K -0.5591 Soluble
216 V K 0.0000 Buried
217 T K -0.9910 Soluble
218 H K 0.0000 Buried
219 Q K -1.6962 Soluble
220 G K -0.4148 Soluble
221 L K -0.2023 Soluble
222 S K -0.3908 Soluble
223 S K -0.4265 Soluble
224 P K -0.4746 Soluble
225 V K 0.0021 Aggregation-prone
226 T K -0.4622 Soluble
227 K K -0.7740 Soluble
228 S K -0.7051 Soluble
229 F K -1.2509 Soluble
230 N K -2.3164 Soluble
231 R K -2.7303 Soluble
232 G K -2.1928 Soluble
233 E K -2.5294 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
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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 -0.6525 4.2068 CSV PDB
4.5 -0.6975 4.2153 CSV PDB
5.0 -0.7494 4.2253 CSV PDB
5.5 -0.7983 4.2311 CSV PDB
6.0 -0.8333 4.2312 CSV PDB
6.5 -0.8459 4.2277 CSV PDB
7.0 -0.8366 4.2227 CSV PDB
7.5 -0.8129 4.2173 CSV PDB
8.0 -0.7814 4.2119 CSV PDB
8.5 -0.7435 4.2069 CSV PDB
9.0 -0.6987 4.2029 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH