Bleselumab / 8yx1

A4DAB050_8yx1_H_L | Source PDB: 8yx1 | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6574
Max Score
1.1113
Min Score
-3.2756
Total Score
-280.7
Score CDR
-0.2925
Score non-CDR
-0.7025

Calculation Parameters

Chain Sequence(s) LQLQESGPGLLKPSETLSLTCTVSGGSISSPGYYGGWIRQPPGKGLEWIGSIYKSGSTYHNPSLKSRVTISVDTSKNQFSLKLSSVTAADTAVYYCTRPVVRYFGWFDPWGQGTLVTVSSASTKGPSVFPLAPSSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKAIQLTQSPSSLSASVGDRVTITCRASQGISSALAWYQQKPGKAPKLLIYDASNLESGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQFNSYPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG 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 -3.2756
Maximum Score 1.1113
Average Score -0.6574
Total Score -280.6982

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

Index Residue Chain A4D Score Classification
2 L H -0.2802 Soluble
3 Q H -1.4433 Soluble
4 L H 0.0000 Buried
5 Q H -1.4068 Soluble
6 E H 0.0000 Buried
7 S H -0.4886 Soluble
8 G H -0.3565 Soluble
9 P H -0.3961 Soluble
11 G H -0.3519 Soluble
12 L H -0.3340 Soluble
13 L H 0.0000 Buried
14 K H -1.9664 Soluble
15 P H -1.3553 Soluble
16 S H -1.2457 Soluble
17 E H -1.6142 Soluble
18 T H -1.2442 Soluble
19 L H 0.0000 Buried
20 S H -0.8239 Soluble
21 L H 0.0000 Buried
22 T H -0.6243 Soluble
23 C H 0.0000 Buried
24 T H -1.1186 Soluble
25 V H 0.0000 Buried
26 S H -0.9089 Soluble
27 G H -0.6899 Soluble
28 G H -0.6255 Soluble
29 S H -0.7330 Soluble
30 I H 0.0000 Buried
31 S H -0.7282 Soluble
34 S H -0.5469 Soluble
35 P H -0.5586 Soluble
36 G H -0.2674 Soluble
37 Y H 0.0000 Buried
38 Y H 0.0135 Aggregation-prone
39 G H 0.0000 Buried
40 G H 0.0000 Buried
41 W H 0.0000 Buried
42 I H 0.0000 Buried
43 R H 0.0000 Buried
44 Q H 0.0000 Buried
45 P H -0.7850 Soluble
46 P H -0.9647 Soluble
47 G H -1.4394 Soluble
48 K H -2.2503 Soluble
49 G H -1.3902 Soluble
50 L H -0.6504 Soluble
51 E H -0.6297 Soluble
52 W H 0.0000 Buried
53 I H 0.0000 Buried
54 G H 0.0000 Buried
55 S H 0.0000 Buried
56 I H 0.0000 Buried
57 Y H -0.1195 Soluble
58 K H -0.8145 Soluble
59 S H -0.6471 Soluble
63 G H -0.5693 Soluble
64 S H -0.0714 Soluble
65 T H 0.3372 Aggregation-prone
66 Y H 1.0971 Aggregation-prone
67 H H 0.0004 Aggregation-prone
68 N H 0.0000 Buried
69 P H -0.7321 Soluble
70 S H -0.9166 Soluble
71 L H 0.0000 Buried
72 K H -2.0410 Soluble
74 S H -1.2423 Soluble
75 R H -1.3272 Soluble
76 V H -0.8272 Soluble
77 T H -0.7220 Soluble
78 I H 0.0000 Buried
79 S H -0.6662 Soluble
80 V H -0.8936 Soluble
81 D H -1.9173 Soluble
82 T H -1.5353 Soluble
83 S H -1.5464 Soluble
84 K H -2.3414 Soluble
85 N H -1.7470 Soluble
86 Q H -1.5489 Soluble
87 F H 0.0000 Buried
88 S H -0.6408 Soluble
89 L H 0.0000 Buried
90 K H -1.4209 Soluble
91 L H 0.0000 Buried
92 S H -0.9648 Soluble
93 S H -1.0777 Soluble
94 V H 0.0000 Buried
95 T H -0.5672 Soluble
96 A H -0.2340 Soluble
97 A H 0.0297 Aggregation-prone
98 D H 0.0000 Buried
99 T H 0.0816 Aggregation-prone
100 A H 0.0000 Buried
101 V H 0.1337 Aggregation-prone
102 Y H 0.0000 Buried
103 Y H 0.0000 Buried
104 C H 0.0000 Buried
105 T H 0.0000 Buried
106 R H -0.3684 Soluble
107 P H 0.0000 Buried
108 V H 0.5777 Aggregation-prone
109 V H 1.0713 Aggregation-prone
110 R H -0.0497 Soluble
111 Y H 0.4790 Aggregation-prone
112 F H 0.5069 Aggregation-prone
113 G H 0.0000 Buried
114 W H 0.0000 Buried
115 F H 0.0000 Buried
116 D H -0.6990 Soluble
117 P H -0.7509 Soluble
118 W H -1.0392 Soluble
119 G H 0.0000 Buried
120 Q H -1.9246 Soluble
121 G H -0.9802 Soluble
122 T H -0.3197 Soluble
123 L H 0.0271 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.2318 Soluble
126 V H 0.0000 Buried
127 S H -0.6912 Soluble
128 S H -0.7701 Soluble
129 A H -0.5101 Soluble
130 S H -0.6317 Soluble
131 T H -0.7812 Soluble
132 K H -1.3383 Soluble
133 G H -1.4748 Soluble
134 P H -0.7054 Soluble
135 S H -0.5351 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.3174 Soluble
139 L H 0.0000 Buried
140 A H -1.2266 Soluble
141 P H 0.0000 Buried
142 S H -0.7840 Soluble
143 S H -0.3614 Soluble
144 G H -0.6502 Soluble
145 T H -0.4940 Soluble
146 A H 0.0000 Buried
147 A H 0.0000 Buried
148 L H 0.0000 Buried
149 G H 0.0000 Buried
150 C H 0.0000 Buried
151 L H 0.0000 Buried
152 V H 0.0000 Buried
153 K H 0.0000 Buried
154 D H -0.7016 Soluble
155 Y H 0.0000 Buried
156 F H 0.0000 Buried
157 P H 0.0000 Buried
158 E H -0.5967 Soluble
159 P H -0.6966 Soluble
160 V H -0.7061 Soluble
161 T H -0.6505 Soluble
162 V H -0.2412 Soluble
163 S H -0.3027 Soluble
164 W H 0.0000 Buried
165 N H -0.7497 Soluble
166 S H -0.5954 Soluble
167 G H -0.5359 Soluble
168 A H -0.2597 Soluble
169 L H -0.0407 Soluble
170 T H -0.1622 Soluble
171 S H -0.1544 Soluble
172 G H -0.1466 Soluble
173 V H 0.2142 Aggregation-prone
174 H H -0.2922 Soluble
175 T H -0.1352 Soluble
176 F H 0.0000 Buried
177 P H -0.2740 Soluble
178 A H 0.2238 Aggregation-prone
179 V H 0.5338 Aggregation-prone
180 L H 1.1113 Aggregation-prone
181 Q H 0.2111 Aggregation-prone
182 S H -0.0902 Soluble
183 S H -0.2620 Soluble
184 G H 0.0075 Aggregation-prone
185 L H 0.0282 Aggregation-prone
186 Y H 0.3272 Aggregation-prone
187 S H 0.1995 Aggregation-prone
188 L H 0.0000 Buried
189 S H 0.0000 Buried
190 S H 0.0000 Buried
191 V H 0.0000 Buried
192 V H 0.0000 Buried
193 T H -0.1799 Soluble
194 V H 0.0000 Buried
195 P H -0.4805 Soluble
196 S H -0.5413 Soluble
197 S H -0.6143 Soluble
198 S H 0.0000 Buried
199 L H -0.9377 Soluble
200 G H -1.1346 Soluble
201 T H -0.8822 Soluble
202 Q H -1.5024 Soluble
203 T H -1.3232 Soluble
204 Y H 0.0000 Buried
205 I H -1.2432 Soluble
206 C H 0.0000 Buried
207 N H -1.1504 Soluble
208 V H 0.0000 Buried
209 N H -1.9220 Soluble
210 H H 0.0000 Buried
211 K H -2.7876 Soluble
212 P H -1.6346 Soluble
213 S H -1.8949 Soluble
214 N H -2.5429 Soluble
215 T H -2.0689 Soluble
216 K H -2.4986 Soluble
217 V H -1.2324 Soluble
218 D H -1.6268 Soluble
219 K H -1.6919 Soluble
220 K H -2.3732 Soluble
221 V H 0.0000 Buried
222 E H -3.0250 Soluble
223 P H -1.9827 Soluble
224 K H -2.5846 Soluble
1 A L -0.4091 Soluble
2 I L 0.0000 Buried
3 Q L -1.8278 Soluble
4 L L 0.0000 Buried
5 T L -1.4085 Soluble
6 Q L 0.0000 Buried
7 S L -0.7203 Soluble
8 P L -0.6749 Soluble
9 S L -0.9579 Soluble
10 S L -1.0888 Soluble
11 L L -0.8391 Soluble
12 S L -1.0871 Soluble
13 A L -1.1335 Soluble
14 S L -1.0204 Soluble
15 V L -0.2958 Soluble
16 G L -1.0638 Soluble
17 D L -2.0810 Soluble
18 R L -2.4964 Soluble
19 V L 0.0000 Buried
20 T L -0.5823 Soluble
21 I L 0.0000 Buried
22 T L -0.9167 Soluble
23 C L 0.0000 Buried
24 R L -2.8836 Soluble
25 A L 0.0000 Buried
26 S L -1.8522 Soluble
27 Q L -2.2294 Soluble
28 G L -1.7532 Soluble
29 I L 0.0000 Buried
36 S L -1.0472 Soluble
37 S L -0.7684 Soluble
38 A L 0.0000 Buried
39 L 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 -1.2676 Soluble
45 K L -1.5632 Soluble
46 P L -1.4716 Soluble
47 G L -1.8150 Soluble
48 K L -2.5106 Soluble
49 A L -1.5832 Soluble
50 P L 0.0000 Buried
51 K L -1.4547 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.2716 Soluble
56 D L -0.7850 Soluble
57 A L 0.0000 Buried
65 S L -0.7920 Soluble
66 N L -0.8521 Soluble
67 L L -0.2674 Soluble
68 E L -0.5579 Soluble
69 S L -0.5452 Soluble
70 G L -0.5419 Soluble
71 V L -0.3687 Soluble
72 P L -0.3805 Soluble
74 S L -0.4573 Soluble
75 R L -0.8108 Soluble
76 F L 0.0000 Buried
77 S L -0.4725 Soluble
78 G L -0.4977 Soluble
79 S L -0.8828 Soluble
80 G L -1.2190 Soluble
83 S L -1.2440 Soluble
84 G L -1.4120 Soluble
85 T L -1.9206 Soluble
86 D L -2.3321 Soluble
87 F L 0.0000 Buried
88 T L -0.7950 Soluble
89 L L 0.0000 Buried
90 T L -0.6092 Soluble
91 I L 0.0000 Buried
92 S L -1.4443 Soluble
93 S L -1.3270 Soluble
94 L L 0.0000 Buried
95 Q L -1.4239 Soluble
96 P L -1.7575 Soluble
97 E L -1.9801 Soluble
98 D L 0.0000 Buried
99 F L 0.0000 Buried
100 A L 0.0000 Buried
101 T L 0.0000 Buried
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 F L 0.0000 Buried
108 N L -0.9849 Soluble
114 S L -0.1734 Soluble
115 Y L 0.3619 Aggregation-prone
116 P L 0.0000 Buried
117 T L -0.3221 Soluble
118 F L -0.3326 Soluble
119 G L 0.0000 Buried
120 Q L -1.5278 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -2.1052 Soluble
124 V L 0.0000 Buried
125 E L -1.7318 Soluble
126 I L 0.0000 Buried
127 K L -1.3000 Soluble
128 R L -0.7189 Soluble
129 T L 0.0439 Aggregation-prone
130 V L 0.6603 Aggregation-prone
131 A L 0.2062 Aggregation-prone
132 A L -0.0914 Soluble
133 P L 0.0000 Buried
134 S L -0.1351 Soluble
135 V L 0.0000 Buried
136 F L 0.0693 Aggregation-prone
137 I L 0.0668 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.7206 Soluble
140 P L 0.0000 Buried
141 S L -1.7921 Soluble
142 D L -3.0931 Soluble
143 E L -2.9645 Soluble
144 Q L 0.0000 Buried
145 L L -2.0995 Soluble
146 K L -2.8155 Soluble
147 S L -1.8049 Soluble
148 G L -1.2743 Soluble
149 T L -0.9703 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 -0.8588 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.7226 Soluble
162 R L -3.2273 Soluble
163 E L -3.2756 Soluble
164 A L -2.3629 Soluble
165 K L -2.4954 Soluble
166 V L -1.2152 Soluble
167 Q L -1.0065 Soluble
168 W L 0.0000 Buried
169 K L -0.6780 Soluble
170 V L 0.0000 Buried
171 D L -1.8553 Soluble
172 N L -1.4766 Soluble
173 A L -0.3008 Soluble
174 L L 0.5768 Aggregation-prone
175 Q L -0.2711 Soluble
176 S L -0.4899 Soluble
177 G L -0.9198 Soluble
178 N L -0.8196 Soluble
179 S L -1.0949 Soluble
180 Q L -1.1903 Soluble
181 E L -1.5004 Soluble
182 S L -0.7941 Soluble
183 V L -0.6738 Soluble
184 T L -1.1655 Soluble
185 E L -2.3464 Soluble
186 Q L 0.0000 Buried
187 D L -2.1809 Soluble
188 S L -2.2695 Soluble
189 K L -2.6688 Soluble
190 D L -1.9483 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 -0.5473 Soluble
199 L L 0.0000 Buried
200 T L -0.4129 Soluble
201 L L -0.3862 Soluble
202 S L -0.9173 Soluble
203 K L -1.9344 Soluble
204 A L -1.6161 Soluble
205 D L -2.1923 Soluble
206 Y L 0.0000 Buried
207 E L -3.0954 Soluble
208 K L -3.2679 Soluble
209 H L -2.6704 Soluble
210 K L -2.5903 Soluble
211 V L -1.1245 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.9320 Soluble
216 V L 0.0000 Buried
217 T L -1.1939 Soluble
218 H L 0.0000 Buried
219 Q L -1.7531 Soluble
220 G L -0.4245 Soluble
221 L L -0.2060 Soluble
222 S L -0.4401 Soluble
223 S L -0.3781 Soluble
224 P L -0.5971 Soluble
225 V L 0.0655 Aggregation-prone
226 T L -0.4866 Soluble
227 K L -0.7346 Soluble
228 S L -0.5740 Soluble
229 F L -0.8006 Soluble
230 N L -1.8290 Soluble
231 R L -1.7156 Soluble
232 G L -1.1886 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 -0.7926 1.3915 CSV PDB
4.5 -0.8258 1.3756 CSV PDB
5.0 -0.8628 1.3756 CSV PDB
5.5 -0.8946 1.3756 CSV PDB
6.0 -0.9106 1.3756 CSV PDB
6.5 -0.9034 1.3756 CSV PDB
7.0 -0.8743 1.3756 CSV PDB
7.5 -0.8314 1.3756 CSV PDB
8.0 -0.7811 1.3756 CSV PDB
8.5 -0.7255 1.3756 CSV PDB
9.0 -0.6651 1.4108 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH