Bimekizumab / 8ruu

A4DAB048_8ruu_H_L | Source PDB: 8ruu | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7518
Max Score
1.6122
Min Score
-3.8406
Total Score
-325.54
Score CDR
-0.6992
Score non-CDR
-0.759

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGFTFSDYNMAWVRQAPGKGLEWVATITYEGRNTYYRDSVKGRFTISRDNAKNSLYLQMNSLRAEDTAVYYCASPPQYYEGSIYRLWFAHWGQGTLVTVSSASTKGPSVFPLAPSSTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKAIQLTQSPSSLSASVGDRVTITCRADESVRTLMHWYQQKPGKAPKLLIYLVSNSEIGVPDRFSGSGSGTDFRLTISSLQPEDFATYYCQQTWSDPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE 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 -3.8406
Maximum Score 1.6122
Average Score -0.7518
Total Score -325.5399

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

Index Residue Chain A4D Score Classification
1 E H -2.1483 Soluble
2 V H -1.4404 Soluble
3 Q H -1.5011 Soluble
4 L H 0.0000 Buried
5 V H 0.4820 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.5352 Soluble
8 G H -0.9009 Soluble
9 G H -0.4707 Soluble
11 G H -0.2830 Soluble
12 L H -0.0417 Soluble
13 V H 0.0000 Buried
14 Q H -1.5755 Soluble
15 P H -1.3873 Soluble
16 G H -1.3547 Soluble
17 G H -0.9968 Soluble
18 S H -1.1436 Soluble
19 L H -1.2219 Soluble
20 R H -2.2324 Soluble
21 L H 0.0000 Buried
22 S H -0.5514 Soluble
23 C H 0.0000 Buried
24 A H -0.2410 Soluble
25 A H 0.0000 Buried
26 S H -0.9906 Soluble
27 G H -1.2554 Soluble
28 F H -0.7876 Soluble
29 T H -0.6052 Soluble
30 F H 0.0000 Buried
35 S H -1.3410 Soluble
36 D H -1.8284 Soluble
37 Y H -0.8688 Soluble
38 N H -0.5713 Soluble
39 M H 0.0000 Buried
40 A 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 -0.7772 Soluble
45 A H -1.1586 Soluble
46 P H -0.9643 Soluble
47 G H -1.4592 Soluble
48 K H -2.3233 Soluble
49 G H -1.5144 Soluble
50 L H 0.0000 Buried
51 E H -1.0903 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 A H 0.0000 Buried
55 T H 0.0000 Buried
56 I H 0.0000 Buried
57 T H 0.0000 Buried
58 Y H -1.3340 Soluble
59 E H -2.0176 Soluble
62 G H -1.9497 Soluble
63 R H -2.5749 Soluble
64 N H -1.7938 Soluble
65 T H -0.6452 Soluble
66 Y H -0.3942 Soluble
67 Y H -0.9723 Soluble
68 R H -1.7434 Soluble
69 D H -2.5940 Soluble
70 S H -1.9054 Soluble
71 V H 0.0000 Buried
72 K H -2.6378 Soluble
74 G H -1.7389 Soluble
75 R H -1.6927 Soluble
76 F H 0.0000 Buried
77 T H -0.8897 Soluble
78 I H 0.0000 Buried
79 S H -0.7881 Soluble
80 R H -1.1364 Soluble
81 D H -1.6863 Soluble
82 N H -1.7829 Soluble
83 A H -1.3957 Soluble
84 K H -2.2810 Soluble
85 N H -1.6971 Soluble
86 S H 0.0000 Buried
87 L H 0.0000 Buried
88 Y H -0.7350 Soluble
89 L H 0.0000 Buried
90 Q H -1.5635 Soluble
91 M H 0.0000 Buried
92 N H -1.3087 Soluble
93 S H -1.1252 Soluble
94 L H 0.0000 Buried
95 R H -2.1005 Soluble
96 A H -1.6232 Soluble
97 E H -2.1735 Soluble
98 D H 0.0000 Buried
99 T H -0.6737 Soluble
100 A H 0.0000 Buried
101 V H 0.1847 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 S H 0.0000 Buried
107 P H 0.0000 Buried
108 P H 0.0000 Buried
109 Q H -0.6324 Soluble
110 Y H 0.1453 Aggregation-prone
111 Y H -0.1628 Soluble
111A E H -1.5817 Soluble
111B G H 0.0000 Buried
112C S H -0.6821 Soluble
112B I H -0.1259 Soluble
112A Y H -0.4986 Soluble
112 R H -1.2402 Soluble
113 L H 0.0000 Buried
114 W H 0.0000 Buried
115 F H 0.0000 Buried
116 A H -0.3843 Soluble
117 H H -0.7562 Soluble
118 W H -0.6710 Soluble
119 G H 0.0000 Buried
120 Q H -1.4458 Soluble
121 G H 0.0000 Buried
122 T H -0.0607 Soluble
123 L H 0.2273 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.3857 Soluble
126 V H 0.0000 Buried
127 S H -0.7117 Soluble
128 S H -0.7020 Soluble
129 A H -0.4919 Soluble
130 S H -0.6464 Soluble
131 T H -0.8273 Soluble
132 K H -1.4704 Soluble
133 G H -1.5550 Soluble
134 P H 0.0000 Buried
135 S H -0.2979 Soluble
136 V H -0.3944 Soluble
137 F H -0.3774 Soluble
138 P H 0.0000 Buried
139 L H 0.0000 Buried
140 A H -1.1217 Soluble
141 P H 0.0000 Buried
142 S H -0.7889 Soluble
143 S H -0.5763 Soluble
144 T H -0.2982 Soluble
145 A H -0.1984 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 -0.5584 Soluble
154 Y H 0.0000 Buried
155 F H -0.2840 Soluble
156 P H 0.0000 Buried
157 E H -0.6272 Soluble
158 P H -0.7357 Soluble
159 V H -0.4420 Soluble
160 T H -0.5558 Soluble
161 V H -0.1712 Soluble
162 S H -0.3825 Soluble
163 W H 0.0000 Buried
164 N H -0.6374 Soluble
165 S H -0.6792 Soluble
166 G H -0.5848 Soluble
167 A H -0.2589 Soluble
168 L H -0.0170 Soluble
169 T H -0.1768 Soluble
170 S H -0.1805 Soluble
171 G H -0.1948 Soluble
172 V H 0.1684 Aggregation-prone
173 H H -0.3381 Soluble
174 T H -0.1976 Soluble
175 F H 0.0000 Buried
176 P H -0.2597 Soluble
177 A H 0.4494 Aggregation-prone
178 V H 0.6732 Aggregation-prone
179 L H 1.2879 Aggregation-prone
180 Q H 0.2584 Aggregation-prone
181 S H -0.0900 Soluble
182 S H -0.2711 Soluble
183 G H 0.0182 Aggregation-prone
184 L H 0.1257 Aggregation-prone
185 Y H 0.4788 Aggregation-prone
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 -0.1348 Soluble
193 V H 0.0000 Buried
194 P H -0.4008 Soluble
195 S H -0.4683 Soluble
196 S H -0.5499 Soluble
197 S H -0.6035 Soluble
198 L H -0.7283 Soluble
199 G H -0.9410 Soluble
200 T H -0.7294 Soluble
201 Q H -1.0538 Soluble
202 T H -0.9870 Soluble
203 Y H 0.0000 Buried
204 I H -0.9663 Soluble
205 C H 0.0000 Buried
206 N H -1.3284 Soluble
207 V H 0.0000 Buried
208 N H -1.8698 Soluble
209 H H 0.0000 Buried
210 K H -2.7084 Soluble
211 P H -1.5984 Soluble
212 S H -1.8272 Soluble
213 N H -2.5710 Soluble
214 T H -2.0734 Soluble
215 K H -2.6665 Soluble
216 V H -1.4830 Soluble
217 D H -2.3610 Soluble
218 K H -1.8118 Soluble
219 K H -1.8503 Soluble
220 V H 0.0000 Buried
221 E H -2.4924 Soluble
222 P H -1.9048 Soluble
223 K H -2.5277 Soluble
1 A L -0.9914 Soluble
2 I L 0.0000 Buried
3 Q L -2.3966 Soluble
4 L L 0.0000 Buried
5 T L -1.6143 Soluble
6 Q L 0.0000 Buried
7 S L -0.9129 Soluble
8 P L -0.4555 Soluble
9 S L -0.7437 Soluble
10 S L -0.7168 Soluble
11 L L -0.5046 Soluble
12 S L -0.7590 Soluble
13 A L -0.9595 Soluble
14 S L -0.8034 Soluble
15 V L -0.0197 Soluble
16 G L -0.8369 Soluble
17 D L -1.8560 Soluble
18 R L -2.3047 Soluble
19 V L 0.0000 Buried
20 T L -1.0386 Soluble
21 I L 0.0000 Buried
22 T L -1.6040 Soluble
23 C L 0.0000 Buried
24 R L -3.4110 Soluble
25 A L -2.9666 Soluble
26 D L -3.5794 Soluble
27 E L -3.2809 Soluble
28 S L -2.1294 Soluble
29 V L 0.0000 Buried
36 R L -1.5391 Soluble
37 T L -0.5868 Soluble
38 L L -0.2730 Soluble
39 M L 0.0000 Buried
40 H 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 -1.2923 Soluble
45 K L -1.7805 Soluble
46 P L -1.4551 Soluble
47 G L -1.6176 Soluble
48 K L -2.5479 Soluble
49 A L -1.6915 Soluble
50 P L 0.0000 Buried
51 K L -1.6350 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.0799 Soluble
56 L L -0.0627 Soluble
57 V L 0.0000 Buried
65 S L -0.8209 Soluble
66 N L -0.6813 Soluble
67 S L -0.3959 Soluble
68 E L 0.3290 Aggregation-prone
69 I L 1.6122 Aggregation-prone
70 G L 0.2863 Aggregation-prone
71 V L -0.2172 Soluble
72 P L -0.8569 Soluble
74 D L -2.0265 Soluble
75 R L -1.4741 Soluble
76 F L 0.0000 Buried
77 S L -1.1147 Soluble
78 G L -0.9189 Soluble
79 S L -1.0943 Soluble
80 G L -1.4996 Soluble
83 S L -1.3759 Soluble
84 G L -1.8216 Soluble
85 T L -2.3790 Soluble
86 D L -2.4888 Soluble
87 F L 0.0000 Buried
88 R L -2.4442 Soluble
89 L L 0.0000 Buried
90 T L -1.0067 Soluble
91 I L 0.0000 Buried
92 S L -1.5691 Soluble
93 S L -1.3183 Soluble
94 L L 0.0000 Buried
95 Q L -0.8646 Soluble
96 P L -1.4814 Soluble
97 E L -1.6493 Soluble
98 D L 0.0000 Buried
99 F L 0.0000 Buried
100 A L 0.0000 Buried
101 T L -0.7611 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 T L 0.0000 Buried
108 W L -0.6547 Soluble
109 S L -0.9370 Soluble
114 D L -1.4854 Soluble
115 P L -1.0948 Soluble
116 W L 0.0000 Buried
117 T L 0.0000 Buried
118 F L -0.4456 Soluble
119 G L 0.0000 Buried
120 Q L -1.5120 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.2214 Soluble
124 V L 0.0000 Buried
125 E L -1.2226 Soluble
126 I L 0.0000 Buried
127 K L -1.1009 Soluble
128 R L -0.6759 Soluble
129 T L 0.0850 Aggregation-prone
130 V L 0.7799 Aggregation-prone
131 A L 0.2412 Aggregation-prone
132 A L -0.0784 Soluble
133 P L 0.0000 Buried
134 S L -0.1268 Soluble
135 V L 0.0000 Buried
136 F L -0.1188 Soluble
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L -0.5666 Soluble
140 P L 0.0000 Buried
141 S L -1.4605 Soluble
142 D L -2.5386 Soluble
143 E L -2.1630 Soluble
144 Q L 0.0000 Buried
145 L L -1.8692 Soluble
146 K L -2.5394 Soluble
147 S L -1.5598 Soluble
148 G L -1.0447 Soluble
149 T L -0.8274 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 -0.7356 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.6803 Soluble
162 R L -3.0396 Soluble
163 E L -3.1973 Soluble
164 A L -2.2288 Soluble
165 K L -2.0866 Soluble
166 V L -1.0212 Soluble
167 Q L -0.6989 Soluble
168 W L 0.0000 Buried
169 K L -0.6608 Soluble
170 V L 0.0000 Buried
171 D L -1.6462 Soluble
172 N L -1.2756 Soluble
173 A L -0.2852 Soluble
174 L L 0.5483 Aggregation-prone
175 Q L -0.2381 Soluble
176 S L -0.4477 Soluble
177 G L -0.8665 Soluble
178 N L -0.7351 Soluble
179 S L -1.0625 Soluble
180 Q L -1.2948 Soluble
181 E L -1.7429 Soluble
182 S L -0.9497 Soluble
183 V L -0.8935 Soluble
184 T L -1.2169 Soluble
185 E L -2.2884 Soluble
186 Q L 0.0000 Buried
187 D L -2.1006 Soluble
188 S L -2.2076 Soluble
189 K L -2.6096 Soluble
190 D L -2.0188 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 -0.6448 Soluble
199 L L 0.0000 Buried
200 T L -0.4151 Soluble
201 L L -0.6822 Soluble
202 S L -1.1169 Soluble
203 K L -2.1088 Soluble
204 A L -2.0177 Soluble
205 D L -2.7298 Soluble
206 Y L 0.0000 Buried
207 E L -3.8406 Soluble
208 K L -3.6962 Soluble
209 H L -3.1432 Soluble
210 K L -3.0470 Soluble
211 V L -1.4237 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.9900 Soluble
216 V L 0.0000 Buried
217 T L -1.0698 Soluble
218 H L 0.0000 Buried
219 Q L -1.2778 Soluble
220 G L -0.3546 Soluble
221 L L -0.1583 Soluble
222 S L -0.3903 Soluble
223 S L -0.3817 Soluble
224 P L -0.4532 Soluble
225 V L 0.0246 Aggregation-prone
226 T L -0.6321 Soluble
227 K L -1.0050 Soluble
228 S L -0.7400 Soluble
229 F L -1.1328 Soluble
230 N L -2.0179 Soluble
231 R L -2.5540 Soluble
232 G L -2.2979 Soluble
233 E L -2.5643 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
Load structure at specific pH condition
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 -0.7932 2.8377 CSV PDB
4.5 -0.8452 2.8157 CSV PDB
5.0 -0.906 2.7881 CSV PDB
5.5 -0.9651 2.7594 CSV PDB
6.0 -1.0108 2.734 CSV PDB
6.5 -1.0335 2.7162 CSV PDB
7.0 -1.0321 2.7071 CSV PDB
7.5 -1.0145 2.7034 CSV PDB
8.0 -0.9875 2.7022 CSV PDB
8.5 -0.9527 2.7018 CSV PDB
9.0 -0.9097 2.7016 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH