Bleselumab / 8yx1

A4DAB050_8yx1_A_B | Source PDB: 8yx1 | Chains: A, B | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6331
Max Score
1.1551
Min Score
-3.2888
Total Score
-270.31
Score CDR
-0.2788
Score non-CDR
-0.6769

Calculation Parameters

Chain Sequence(s) LQLQESGPGLLKPSETLSLTCTVSGGSISSPGYYGGWIRQPPGKGLEWIGSIYKSGSTYHNPSLKSRVTISVDTSKNQFSLKLSSVTAADTAVYYCTRPVVRYFGWFDPWGQGTLVTVSSASTKGPSVFPLAPSSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKAIQLTQSPSSLSASVGDRVTITCRASQGISSALAWYQQKPGKAPKLLIYDASNLESGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQFNSYPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG input.pdb
Selected Chain(s) A (Heavy), B (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 -3.2888
Maximum Score 1.1551
Average Score -0.6331
Total Score -270.3134

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

Index Residue Chain A4D Score Classification
2 L A 0.2022 Aggregation-prone
3 Q A -1.2038 Soluble
4 L A 0.0000 Buried
5 Q A -1.5644 Soluble
6 E A -1.0358 Soluble
7 S A -0.6648 Soluble
8 G A -0.3730 Soluble
9 P A -0.3605 Soluble
11 G A -0.3529 Soluble
12 L A -0.2330 Soluble
13 L A -0.9308 Soluble
14 K A -1.9955 Soluble
15 P A -1.3799 Soluble
16 S A -1.3142 Soluble
17 E A -1.7977 Soluble
18 T A -1.3324 Soluble
19 L A 0.0000 Buried
20 S A -0.8786 Soluble
21 L A 0.0000 Buried
22 T A -0.5970 Soluble
23 C A 0.0000 Buried
24 T A -1.1806 Soluble
25 V A 0.0000 Buried
26 S A -0.7400 Soluble
27 G A -0.5201 Soluble
28 G A -0.6143 Soluble
29 S A -0.7773 Soluble
30 I A 0.0000 Buried
31 S A -0.7148 Soluble
34 S A -0.5776 Soluble
35 P A -0.6102 Soluble
36 G A -0.3978 Soluble
37 Y A 0.0000 Buried
38 Y A 0.0108 Aggregation-prone
39 G A 0.0000 Buried
40 G A 0.0000 Buried
41 W A 0.0000 Buried
42 I A 0.0000 Buried
43 R A 0.0000 Buried
44 Q A -0.8136 Soluble
45 P A -0.9037 Soluble
46 P A -1.0695 Soluble
47 G A -1.4852 Soluble
48 K A -2.3652 Soluble
49 G A -1.5630 Soluble
50 L A 0.0000 Buried
51 E A -0.8095 Soluble
52 W A 0.0000 Buried
53 I A 0.0000 Buried
54 G A 0.0000 Buried
55 S A 0.0000 Buried
56 I A 0.0000 Buried
57 Y A -0.2005 Soluble
58 K A -0.7568 Soluble
59 S A -0.6413 Soluble
63 G A -0.5430 Soluble
64 S A -0.1374 Soluble
65 T A 0.1879 Aggregation-prone
66 Y A 0.4828 Aggregation-prone
67 H A -0.4534 Soluble
68 N A -0.6639 Soluble
69 P A -0.7673 Soluble
70 S A -0.9022 Soluble
71 L A 0.0000 Buried
72 K A -2.0272 Soluble
74 S A -1.3184 Soluble
75 R A -1.3416 Soluble
76 V A 0.0000 Buried
77 T A -0.9968 Soluble
78 I A 0.0000 Buried
79 S A -0.5486 Soluble
80 V A -0.6663 Soluble
81 D A -1.4586 Soluble
82 T A -1.3304 Soluble
83 S A -1.4054 Soluble
84 K A -2.2046 Soluble
85 N A -1.5984 Soluble
86 Q A -1.3820 Soluble
87 F A 0.0000 Buried
88 S A -0.5917 Soluble
89 L A 0.0000 Buried
90 K A -1.4786 Soluble
91 L A 0.0000 Buried
92 S A -1.0650 Soluble
93 S A -1.1519 Soluble
94 V A 0.0000 Buried
95 T A -0.5797 Soluble
96 A A -0.1811 Soluble
97 A A 0.0461 Aggregation-prone
98 D A 0.0000 Buried
99 T A 0.0835 Aggregation-prone
100 A A 0.0000 Buried
101 V A 0.0680 Aggregation-prone
102 Y A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 T A 0.0000 Buried
106 R A -0.2037 Soluble
107 P A 0.0000 Buried
108 V A 0.6927 Aggregation-prone
109 V A 1.1551 Aggregation-prone
110 R A -0.0768 Soluble
111 Y A 0.3691 Aggregation-prone
112 F A 0.3722 Aggregation-prone
113 G A 0.0000 Buried
114 W A 0.0000 Buried
115 F A 0.0000 Buried
116 D A -0.5515 Soluble
117 P A -0.5884 Soluble
118 W A -0.9146 Soluble
119 G A 0.0000 Buried
120 Q A -1.8142 Soluble
121 G A -0.9664 Soluble
122 T A -0.3945 Soluble
123 L A 0.0120 Aggregation-prone
124 V A 0.0000 Buried
125 T A -0.1778 Soluble
126 V A 0.0000 Buried
127 S A -0.7049 Soluble
128 S A -0.7950 Soluble
129 A A -0.5174 Soluble
130 S A -0.6301 Soluble
131 T A -0.7416 Soluble
132 K A -1.1815 Soluble
133 G A -1.3807 Soluble
134 P A -0.5735 Soluble
135 S A -0.4157 Soluble
136 V A 0.0000 Buried
137 F A 0.0000 Buried
138 P A -1.3606 Soluble
139 L A 0.0000 Buried
140 A A -1.2182 Soluble
141 P A 0.0000 Buried
142 S A -0.5959 Soluble
143 S A -0.3515 Soluble
144 G A -0.6646 Soluble
145 T A -0.4833 Soluble
146 A A 0.0000 Buried
147 A A 0.0000 Buried
148 L A 0.0000 Buried
149 G A 0.0000 Buried
150 C A 0.0000 Buried
151 L A 0.0000 Buried
152 V A 0.0000 Buried
153 K A 0.0000 Buried
154 D A -0.4356 Soluble
155 Y A 0.0000 Buried
156 F A 0.0000 Buried
157 P A 0.0000 Buried
158 E A -0.5460 Soluble
159 P A -0.7320 Soluble
160 V A -0.7524 Soluble
161 T A -0.6297 Soluble
162 V A -0.3851 Soluble
163 S A -0.4148 Soluble
164 W A 0.0000 Buried
165 N A -0.7349 Soluble
166 S A -0.6853 Soluble
167 G A -0.5714 Soluble
168 A A -0.2166 Soluble
169 L A 0.0445 Aggregation-prone
170 T A -0.1463 Soluble
171 S A -0.1370 Soluble
172 G A -0.1335 Soluble
173 V A 0.1965 Aggregation-prone
174 H A -0.2261 Soluble
175 T A 0.0682 Aggregation-prone
176 F A 0.0000 Buried
177 P A -0.2632 Soluble
178 A A 0.1277 Aggregation-prone
179 V A 0.2602 Aggregation-prone
180 L A 0.8439 Aggregation-prone
181 Q A 0.1376 Aggregation-prone
182 S A -0.1399 Soluble
183 S A -0.2452 Soluble
184 G A -0.0193 Soluble
185 L A 0.0683 Aggregation-prone
186 Y A 0.3013 Aggregation-prone
187 S A 0.0000 Buried
188 L A 0.0000 Buried
189 S A 0.0000 Buried
190 S A 0.0000 Buried
191 V A 0.0000 Buried
192 V A 0.0000 Buried
193 T A -0.1160 Soluble
194 V A 0.0000 Buried
195 P A -0.5747 Soluble
196 S A -0.6412 Soluble
197 S A -0.5967 Soluble
198 S A -0.5825 Soluble
199 L A -0.7255 Soluble
200 G A -0.9398 Soluble
201 T A -0.6953 Soluble
202 Q A -0.9995 Soluble
203 T A -1.0420 Soluble
204 Y A 0.0000 Buried
205 I A -1.2612 Soluble
206 C A 0.0000 Buried
207 N A -1.4805 Soluble
208 V A 0.0000 Buried
209 N A -1.8841 Soluble
210 H A 0.0000 Buried
211 K A -2.7828 Soluble
212 P A -1.6056 Soluble
213 S A -1.8805 Soluble
214 N A -2.5943 Soluble
215 T A -1.9780 Soluble
216 K A -2.5182 Soluble
217 V A -1.2563 Soluble
218 D A -2.4175 Soluble
219 K A -2.1252 Soluble
220 K A -2.5561 Soluble
221 V A 0.0000 Buried
222 E A -2.7616 Soluble
223 P A -1.8985 Soluble
224 K A -2.5445 Soluble
1 A B -0.1998 Soluble
2 I B -0.7238 Soluble
3 Q B -1.6677 Soluble
4 L B 0.0000 Buried
5 T B -1.2819 Soluble
6 Q B 0.0000 Buried
7 S B -0.6733 Soluble
8 P B -0.6580 Soluble
9 S B -0.9269 Soluble
10 S B -0.9078 Soluble
11 L B -0.5898 Soluble
12 S B -0.7969 Soluble
13 A B 0.0000 Buried
14 S B -0.7813 Soluble
15 V B -0.0065 Soluble
16 G B -0.9599 Soluble
17 D B -1.9414 Soluble
18 R B -2.4503 Soluble
19 V B 0.0000 Buried
20 T B -0.6591 Soluble
21 I B 0.0000 Buried
22 T B -0.7821 Soluble
23 C B 0.0000 Buried
24 R B -2.5779 Soluble
25 A B 0.0000 Buried
26 S B -1.6498 Soluble
27 Q B -2.0201 Soluble
28 G B -1.6714 Soluble
29 I B 0.0000 Buried
36 S B -1.0790 Soluble
37 S B -0.8798 Soluble
38 A B 0.0000 Buried
39 L B 0.0000 Buried
40 A B 0.0000 Buried
41 W B 0.0000 Buried
42 Y B 0.0000 Buried
43 Q B 0.0000 Buried
44 Q B 0.0000 Buried
45 K B -1.1853 Soluble
46 P B -1.1071 Soluble
47 G B -1.3844 Soluble
48 K B -1.7187 Soluble
49 A B -1.2047 Soluble
50 P B 0.0000 Buried
51 K B -1.2148 Soluble
52 L B 0.0000 Buried
53 L B 0.0000 Buried
54 I B 0.0000 Buried
55 Y B -0.3423 Soluble
56 D B -0.8645 Soluble
57 A B 0.0000 Buried
65 S B -0.8157 Soluble
66 N B -0.9159 Soluble
67 L B -0.3267 Soluble
68 E B -0.5849 Soluble
69 S B -0.5919 Soluble
70 G B -0.6263 Soluble
71 V B 0.0000 Buried
72 P B -0.4320 Soluble
74 S B -0.5011 Soluble
75 R B -0.8011 Soluble
76 F B 0.0000 Buried
77 S B -0.4748 Soluble
78 G B -0.4551 Soluble
79 S B -0.8043 Soluble
80 G B -1.0499 Soluble
83 S B -1.1426 Soluble
84 G B -1.3394 Soluble
85 T B -1.7611 Soluble
86 D B -2.0931 Soluble
87 F B 0.0000 Buried
88 T B -0.6800 Soluble
89 L B 0.0000 Buried
90 T B -0.6237 Soluble
91 I B 0.0000 Buried
92 S B -1.5184 Soluble
93 S B -1.3165 Soluble
94 L B 0.0000 Buried
95 Q B -1.0263 Soluble
96 P B -1.5008 Soluble
97 E B -1.7938 Soluble
98 D B 0.0000 Buried
99 F B 0.0000 Buried
100 A B 0.0000 Buried
101 T B 0.0000 Buried
102 Y B 0.0000 Buried
103 Y B 0.0000 Buried
104 C B 0.0000 Buried
105 Q B 0.0000 Buried
106 Q B 0.0000 Buried
107 F B 0.0000 Buried
108 N B -0.8596 Soluble
114 S B -0.0591 Soluble
115 Y B 0.5694 Aggregation-prone
116 P B 0.0000 Buried
117 T B -0.3017 Soluble
118 F B -0.3845 Soluble
119 G B 0.0000 Buried
120 Q B -1.6207 Soluble
121 G B 0.0000 Buried
122 T B 0.0000 Buried
123 K B -1.7585 Soluble
124 V B 0.0000 Buried
125 E B -1.1092 Soluble
126 I B 0.0000 Buried
127 K B -0.9127 Soluble
128 R B -0.6384 Soluble
129 T B 0.1313 Aggregation-prone
130 V B 0.9357 Aggregation-prone
131 A B 0.3363 Aggregation-prone
132 A B -0.0249 Soluble
133 P B 0.0000 Buried
134 S B -0.0875 Soluble
135 V B 0.0000 Buried
136 F B 0.0804 Aggregation-prone
137 I B 0.1255 Aggregation-prone
138 F B 0.0000 Buried
139 P B -0.4480 Soluble
140 P B 0.0000 Buried
141 S B -1.8625 Soluble
142 D B -3.1738 Soluble
143 E B -3.0133 Soluble
144 Q B 0.0000 Buried
145 L B -2.3333 Soluble
146 K B -2.8485 Soluble
147 S B -1.7698 Soluble
148 G B -1.4818 Soluble
149 T B -0.9299 Soluble
150 A B 0.0000 Buried
151 S B 0.0000 Buried
152 V B 0.0000 Buried
153 V B 0.0000 Buried
154 C B 0.0000 Buried
155 L B 0.0000 Buried
156 L B 0.0000 Buried
157 N B 0.0000 Buried
158 N B -0.7322 Soluble
159 F B 0.0000 Buried
160 Y B 0.0000 Buried
161 P B -1.3314 Soluble
162 R B -2.2370 Soluble
163 E B -2.8985 Soluble
164 A B -2.1377 Soluble
165 K B -2.3497 Soluble
166 V B -1.2040 Soluble
167 Q B -0.7381 Soluble
168 W B 0.0000 Buried
169 K B -0.4517 Soluble
170 V B 0.0000 Buried
171 D B -1.8025 Soluble
172 N B -1.4627 Soluble
173 A B -0.2605 Soluble
174 L B 0.6768 Aggregation-prone
175 Q B -0.2752 Soluble
176 S B -0.7816 Soluble
177 G B -1.2964 Soluble
178 N B -1.6361 Soluble
179 S B -1.5309 Soluble
180 Q B -1.6081 Soluble
181 E B -2.0762 Soluble
182 S B -0.8749 Soluble
183 V B -0.6147 Soluble
184 T B 0.0000 Buried
185 E B -1.7680 Soluble
186 Q B 0.0000 Buried
187 D B -1.8497 Soluble
188 S B -2.0455 Soluble
189 K B -2.4972 Soluble
190 D B -1.7547 Soluble
191 S B 0.0000 Buried
192 T B 0.0000 Buried
193 Y B 0.0000 Buried
194 S B 0.0000 Buried
195 L B 0.0000 Buried
196 S B 0.0000 Buried
197 S B 0.0000 Buried
198 T B -0.7766 Soluble
199 L B 0.0000 Buried
200 T B -0.5382 Soluble
201 L B -0.4765 Soluble
202 S B -1.0232 Soluble
203 K B -1.9390 Soluble
204 A B -1.5896 Soluble
205 D B -2.0019 Soluble
206 Y B 0.0000 Buried
207 E B -3.1671 Soluble
208 K B -3.2888 Soluble
209 H B -2.8502 Soluble
210 K B -2.7069 Soluble
211 V B -1.1967 Soluble
212 Y B 0.0000 Buried
213 A B -0.7640 Soluble
214 C B 0.0000 Buried
215 E B -0.7093 Soluble
216 V B 0.0000 Buried
217 T B -1.2131 Soluble
218 H B 0.0000 Buried
219 Q B -1.3203 Soluble
220 G B -0.3701 Soluble
221 L B -0.2074 Soluble
222 S B -0.4822 Soluble
223 S B -0.4027 Soluble
224 P B -0.4921 Soluble
225 V B 0.2413 Aggregation-prone
226 T B -0.3429 Soluble
227 K B -0.5688 Soluble
228 S B -0.5186 Soluble
229 F B -0.7256 Soluble
230 N B -1.8037 Soluble
231 R B -1.7251 Soluble
232 G B -1.3019 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
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 -0.7465 1.3873 CSV PDB
4.5 -0.7776 1.3589 CSV PDB
5.0 -0.8128 1.3228 CSV PDB
5.5 -0.8434 1.297 CSV PDB
6.0 -0.8589 1.2952 CSV PDB
6.5 -0.8519 1.3199 CSV PDB
7.0 -0.8237 1.3701 CSV PDB
7.5 -0.7817 1.4403 CSV PDB
8.0 -0.7325 1.5208 CSV PDB
8.5 -0.6786 1.6563 CSV PDB
9.0 -0.6203 1.8174 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH