Bimekizumab / 8ruu

A4DAB048_8ruu_B_C | Source PDB: 8ruu | Chains: B, C | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7563
Max Score
1.6052
Min Score
-3.4569
Total Score
-326.72
Score CDR
-0.8047
Score non-CDR
-0.7497

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGFTFSDYNMAWVRQAPGKGLEWVATITYEGRNTYYRDSVKGRFTISRDNAKNSLYLQMNSLRAEDTAVYYCASPPQYYEGSIYRLWFAHWGQGTLVTVSSASTKGPSVFPLAPSSTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPAIQLTQSPSSLSASVGDRVTITCRADESVRTLMHWYQQKPGKAPKLLIYLVSNSEIGVPDRFSGSGSGTDFRLTISSLQPEDFATYYCQQTWSDPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input.pdb
Selected Chain(s) B (Heavy), C (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 -3.4569
Maximum Score 1.6052
Average Score -0.7563
Total Score -326.7165

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

Index Residue Chain A4D Score Classification
1 E B -2.1029 Soluble
2 V B -1.2834 Soluble
3 Q B -1.3342 Soluble
4 L B 0.0000 Buried
5 V B 1.1525 Aggregation-prone
6 E B 0.0000 Buried
7 S B -0.4108 Soluble
8 G B -0.9225 Soluble
9 G B -0.5468 Soluble
11 G B -0.3959 Soluble
12 L B -0.1317 Soluble
13 V B 0.0000 Buried
14 Q B -1.6338 Soluble
15 P B -1.4775 Soluble
16 G B -1.3913 Soluble
17 G B -1.0941 Soluble
18 S B -1.1455 Soluble
19 L B -1.2631 Soluble
20 R B -2.2543 Soluble
21 L B 0.0000 Buried
22 S B -0.4113 Soluble
23 C B 0.0000 Buried
24 A B -0.0528 Soluble
25 A B 0.0000 Buried
26 S B -0.9253 Soluble
27 G B -1.2473 Soluble
28 F B -0.8991 Soluble
29 T B -0.7972 Soluble
30 F B 0.0000 Buried
35 S B -1.3013 Soluble
36 D B -2.2929 Soluble
37 Y B 0.0000 Buried
38 N B -0.6056 Soluble
39 M B 0.0000 Buried
40 A B 0.0000 Buried
41 W B 0.0000 Buried
42 V B 0.0000 Buried
43 R B 0.0000 Buried
44 Q B -0.8166 Soluble
45 A B -1.1765 Soluble
46 P B -0.9534 Soluble
47 G B -1.4626 Soluble
48 K B -2.3643 Soluble
49 G B -1.6036 Soluble
50 L B 0.0000 Buried
51 E B -1.3158 Soluble
52 W B 0.0000 Buried
53 V B 0.0000 Buried
54 A B 0.0000 Buried
55 T B 0.0000 Buried
56 I B 0.0000 Buried
57 T B -1.0603 Soluble
58 Y B -1.0941 Soluble
59 E B -1.7186 Soluble
62 G B -1.7593 Soluble
63 R B -2.5563 Soluble
64 N B -1.9504 Soluble
65 T B -0.7776 Soluble
66 Y B -0.5085 Soluble
67 Y B -0.8210 Soluble
68 R B -1.8112 Soluble
69 D B -2.5485 Soluble
70 S B -1.8486 Soluble
71 V B 0.0000 Buried
72 K B -2.6102 Soluble
74 G B -1.7153 Soluble
75 R B -1.4611 Soluble
76 F B 0.0000 Buried
77 T B -0.9026 Soluble
78 I B 0.0000 Buried
79 S B -0.6204 Soluble
80 R B -0.8998 Soluble
81 D B -1.4394 Soluble
82 N B -1.6541 Soluble
83 A B -1.3026 Soluble
84 K B -2.1865 Soluble
85 N B -1.6131 Soluble
86 S B 0.0000 Buried
87 L B 0.0000 Buried
88 Y B -0.6857 Soluble
89 L B 0.0000 Buried
90 Q B -1.5864 Soluble
91 M B 0.0000 Buried
92 N B -1.3679 Soluble
93 S B -1.1947 Soluble
94 L B 0.0000 Buried
95 R B -2.2853 Soluble
96 A B -1.7155 Soluble
97 E B -2.2178 Soluble
98 D B 0.0000 Buried
99 T B -0.7104 Soluble
100 A B 0.0000 Buried
101 V B 0.1850 Aggregation-prone
102 Y B 0.0000 Buried
103 Y B 0.0000 Buried
104 C B 0.0000 Buried
105 A B 0.0000 Buried
106 S B 0.0000 Buried
107 P B 0.0000 Buried
108 P B 0.0000 Buried
109 Q B -1.0166 Soluble
110 Y B -0.0810 Soluble
111 Y B -0.3804 Soluble
111A E B -1.7939 Soluble
111B G B -1.3669 Soluble
112C S B -0.7522 Soluble
112B I B -0.1191 Soluble
112A Y B -0.5172 Soluble
112 R B -1.2412 Soluble
113 L B 0.0000 Buried
114 W B 0.0000 Buried
115 F B 0.0000 Buried
116 A B -0.3870 Soluble
117 H B -0.7712 Soluble
118 W B -0.6292 Soluble
119 G B 0.0000 Buried
120 Q B -1.2997 Soluble
121 G B 0.0000 Buried
122 T B -0.0452 Soluble
123 L B 0.1376 Aggregation-prone
124 V B 0.0000 Buried
125 T B -0.4850 Soluble
126 V B 0.0000 Buried
127 S B -0.7886 Soluble
128 S B -0.7363 Soluble
129 A B -0.4644 Soluble
130 S B -0.6539 Soluble
131 T B -0.8712 Soluble
132 K B -1.5425 Soluble
133 G B -1.6114 Soluble
134 P B -0.6955 Soluble
135 S B -0.4747 Soluble
136 V B 0.0000 Buried
137 F B -0.6152 Soluble
138 P B -1.0094 Soluble
139 L B 0.0000 Buried
140 A B -0.9151 Soluble
141 P B 0.0000 Buried
142 S B -0.5276 Soluble
143 S B -0.3724 Soluble
144 T B -0.2715 Soluble
145 A B -0.2142 Soluble
146 A B 0.0000 Buried
147 L B 0.0000 Buried
148 G B 0.0000 Buried
149 C B 0.0000 Buried
150 L B 0.0000 Buried
151 V B 0.0000 Buried
152 K B 0.0000 Buried
153 D B -0.6188 Soluble
154 Y B 0.0000 Buried
155 F B -0.3143 Soluble
156 P B 0.0000 Buried
157 E B -0.6034 Soluble
158 P B -0.7031 Soluble
159 V B -0.4007 Soluble
160 T B -0.5032 Soluble
161 V B -0.1243 Soluble
162 S B -0.3401 Soluble
163 W B 0.0000 Buried
164 N B -0.6830 Soluble
165 S B -0.6304 Soluble
166 G B -0.5282 Soluble
167 A B -0.2401 Soluble
168 L B 0.0157 Aggregation-prone
169 T B -0.1508 Soluble
170 S B -0.1423 Soluble
171 G B -0.1139 Soluble
172 V B 0.2297 Aggregation-prone
173 H B -0.2556 Soluble
174 T B 0.0137 Aggregation-prone
175 F B 0.0000 Buried
176 P B -0.2630 Soluble
177 A B 0.2489 Aggregation-prone
178 V B 0.5858 Aggregation-prone
179 L B 1.1907 Aggregation-prone
180 Q B 0.2287 Aggregation-prone
181 S B -0.1076 Soluble
182 S B -0.2592 Soluble
183 G B 0.0278 Aggregation-prone
184 L B 0.0899 Aggregation-prone
185 Y B 0.4035 Aggregation-prone
186 S B 0.0000 Buried
187 L B 0.0000 Buried
188 S B 0.0000 Buried
189 S B 0.0000 Buried
190 V B 0.0000 Buried
191 V B 0.0000 Buried
192 T B -0.1135 Soluble
193 V B 0.0000 Buried
194 P B -0.4201 Soluble
195 S B -0.5014 Soluble
196 S B -0.5548 Soluble
197 S B -0.5793 Soluble
198 L B -0.8038 Soluble
199 G B -0.9698 Soluble
200 T B -0.6400 Soluble
201 Q B -1.0207 Soluble
202 T B -1.0373 Soluble
203 Y B 0.0000 Buried
204 I B -1.1523 Soluble
205 C B 0.0000 Buried
206 N B -1.2768 Soluble
207 V B 0.0000 Buried
208 N B -1.7164 Soluble
209 H B 0.0000 Buried
210 K B -2.7302 Soluble
211 P B -1.6460 Soluble
212 S B -1.8642 Soluble
213 N B -2.6343 Soluble
214 T B -2.0825 Soluble
215 K B -2.5594 Soluble
216 V B -1.3327 Soluble
217 D B -2.0842 Soluble
218 K B -1.9285 Soluble
219 K B -2.3895 Soluble
220 V B 0.0000 Buried
221 E B -2.4526 Soluble
222 P B -1.2493 Soluble
1 A C -1.0371 Soluble
2 I C 0.0000 Buried
3 Q C -2.3882 Soluble
4 L C 0.0000 Buried
5 T C -1.5651 Soluble
6 Q C 0.0000 Buried
7 S C -0.8827 Soluble
8 P C -0.4302 Soluble
9 S C -0.7029 Soluble
10 S C -0.6179 Soluble
11 L C -0.4849 Soluble
12 S C -0.9106 Soluble
13 A C -1.2148 Soluble
14 S C -1.1018 Soluble
15 V C -0.1483 Soluble
16 G C -0.8552 Soluble
17 D C -1.9652 Soluble
18 R C -2.3620 Soluble
19 V C 0.0000 Buried
20 T C -0.8961 Soluble
21 I C 0.0000 Buried
22 T C -1.1963 Soluble
23 C C 0.0000 Buried
24 R C -3.0183 Soluble
25 A C -2.7773 Soluble
26 D C -3.4344 Soluble
27 E C -3.2611 Soluble
28 S C -2.1571 Soluble
29 V C 0.0000 Buried
36 R C -2.1012 Soluble
37 T C -0.8468 Soluble
38 L C -0.4204 Soluble
39 M C 0.0000 Buried
40 H C 0.0000 Buried
41 W C 0.0000 Buried
42 Y C 0.0000 Buried
43 Q C 0.0000 Buried
44 Q C -1.2449 Soluble
45 K C -1.7410 Soluble
46 P C -1.3622 Soluble
47 G C -1.5437 Soluble
48 K C -2.5301 Soluble
49 A C -1.7038 Soluble
50 P C 0.0000 Buried
51 K C -1.7664 Soluble
52 L C 0.0000 Buried
53 L C 0.0000 Buried
54 I C 0.0000 Buried
55 Y C -0.0380 Soluble
56 L C -0.1048 Soluble
57 V C 0.0000 Buried
65 S C -0.7499 Soluble
66 N C -0.5726 Soluble
67 S C -0.3583 Soluble
68 E C 0.3216 Aggregation-prone
69 I C 1.6052 Aggregation-prone
70 G C 0.2794 Aggregation-prone
71 V C -0.2898 Soluble
72 P C -0.8590 Soluble
74 D C -2.0484 Soluble
75 R C -1.5057 Soluble
76 F C 0.0000 Buried
77 S C -1.0107 Soluble
78 G C -0.8030 Soluble
79 S C -0.9634 Soluble
80 G C -1.3134 Soluble
83 S C -1.0552 Soluble
84 G C -1.7874 Soluble
85 T C -2.0755 Soluble
86 D C -1.8114 Soluble
87 F C 0.0000 Buried
88 R C -1.8209 Soluble
89 L C 0.0000 Buried
90 T C -0.9091 Soluble
91 I C 0.0000 Buried
92 S C -1.6512 Soluble
93 S C -1.3667 Soluble
94 L C 0.0000 Buried
95 Q C -1.1178 Soluble
96 P C -1.9113 Soluble
97 E C -2.4620 Soluble
98 D C 0.0000 Buried
99 F C 0.0000 Buried
100 A C 0.0000 Buried
101 T C -0.6659 Soluble
102 Y C 0.0000 Buried
103 Y C 0.0000 Buried
104 C C 0.0000 Buried
105 Q C 0.0000 Buried
106 Q C 0.0000 Buried
107 T C 0.0000 Buried
108 W C -0.9102 Soluble
109 S C -1.1073 Soluble
114 D C -1.8234 Soluble
115 P C -1.1699 Soluble
116 W C 0.0000 Buried
117 T C -0.7063 Soluble
118 F C -0.5209 Soluble
119 G C 0.0000 Buried
120 Q C -1.6307 Soluble
121 G C 0.0000 Buried
122 T C 0.0000 Buried
123 K C -1.0332 Soluble
124 V C 0.0000 Buried
125 E C -1.5400 Soluble
126 I C 0.0000 Buried
127 K C -1.7668 Soluble
128 R C -1.0419 Soluble
129 T C -0.0069 Soluble
130 V C 0.6788 Aggregation-prone
131 A C 0.3651 Aggregation-prone
132 A C 0.0530 Aggregation-prone
133 P C 0.0000 Buried
134 S C -0.1286 Soluble
135 V C 0.0000 Buried
136 F C -0.0038 Soluble
137 I C 0.0000 Buried
138 F C 0.0000 Buried
139 P C -0.5757 Soluble
140 P C 0.0000 Buried
141 S C -1.4394 Soluble
142 D C -2.7054 Soluble
143 E C -2.5021 Soluble
144 Q C 0.0000 Buried
145 L C -2.0905 Soluble
146 K C -2.6244 Soluble
147 S C -1.6578 Soluble
148 G C -1.1292 Soluble
149 T C -0.8073 Soluble
150 A C 0.0000 Buried
151 S C 0.0000 Buried
152 V C 0.0000 Buried
153 V C 0.0000 Buried
154 C C 0.0000 Buried
155 L C 0.0000 Buried
156 L C 0.0000 Buried
157 N C 0.0000 Buried
158 N C -0.7988 Soluble
159 F C 0.0000 Buried
160 Y C 0.0000 Buried
161 P C -1.7742 Soluble
162 R C -3.0678 Soluble
163 E C -3.2916 Soluble
164 A C -2.3726 Soluble
165 K C -2.4777 Soluble
166 V C -1.0855 Soluble
167 Q C -0.6641 Soluble
168 W C 0.0000 Buried
169 K C -0.5845 Soluble
170 V C 0.0000 Buried
171 D C -1.7169 Soluble
172 N C -1.4608 Soluble
173 A C -0.2468 Soluble
174 L C 0.7490 Aggregation-prone
175 Q C -0.3288 Soluble
176 S C -0.6562 Soluble
177 G C -1.3034 Soluble
178 N C -1.6521 Soluble
179 S C -1.3688 Soluble
180 Q C -1.2007 Soluble
181 E C -1.3621 Soluble
182 S C 0.0000 Buried
183 V C -0.6687 Soluble
184 T C -1.0696 Soluble
185 E C -2.0646 Soluble
186 Q C 0.0000 Buried
187 D C -2.1210 Soluble
188 S C -2.3955 Soluble
189 K C -2.7182 Soluble
190 D C -2.0152 Soluble
191 S C 0.0000 Buried
192 T C 0.0000 Buried
193 Y C 0.0000 Buried
194 S C 0.0000 Buried
195 L C 0.0000 Buried
196 S C 0.0000 Buried
197 S C 0.0000 Buried
198 T C -0.6057 Soluble
199 L C 0.0000 Buried
200 T C -0.6022 Soluble
201 L C -0.7391 Soluble
202 S C -0.9361 Soluble
203 K C -1.9183 Soluble
204 A C -1.6860 Soluble
205 D C -2.3057 Soluble
206 Y C 0.0000 Buried
207 E C -3.2767 Soluble
208 K C -3.4569 Soluble
209 H C -2.9764 Soluble
210 K C -3.1777 Soluble
211 V C -1.4456 Soluble
212 Y C 0.0000 Buried
213 A C 0.0000 Buried
214 C C 0.0000 Buried
215 E C -0.9988 Soluble
216 V C 0.0000 Buried
217 T C -1.2225 Soluble
218 H C 0.0000 Buried
219 Q C -1.6614 Soluble
220 G C -0.2260 Soluble
221 L C -0.0673 Soluble
222 S C -0.3806 Soluble
223 S C -0.3929 Soluble
224 P C -0.5618 Soluble
225 V C -0.0926 Soluble
226 T C -0.5665 Soluble
227 K C -0.7486 Soluble
228 S C -0.6579 Soluble
229 F C -1.0241 Soluble
230 N C -1.8842 Soluble
231 R C -2.4947 Soluble
232 G C -1.9914 Soluble
233 E C -2.2652 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
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 -0.7987 2.8103 CSV PDB
4.5 -0.8487 2.7863 CSV PDB
5.0 -0.9069 2.7573 CSV PDB
5.5 -0.9631 2.7279 CSV PDB
6.0 -1.0058 2.7027 CSV PDB
6.5 -1.0251 2.6859 CSV PDB
7.0 -1.0202 2.6776 CSV PDB
7.5 -0.999 2.6744 CSV PDB
8.0 -0.9685 2.6733 CSV PDB
8.5 -0.9308 2.6729 CSV PDB
9.0 -0.8856 2.6728 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH