Secukinumab / 6wio

A4DAB237_6wio_A_B | Source PDB: 6wio | Chains: A, B | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6603
Max Score
2.3886
Min Score
-3.556
Total Score
-292.52
Score CDR
-0.1894
Score non-CDR
-0.7271

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGFTFSNYWMNWVRQAPGKGLEWVAAINQDGSEKYYVGSVKGRFTISRDNAKNSLYLQMNSLRVEDTAVYYCVRDYYDILTDYYIHYWYFDLWGRGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCEIVLTQSPGTLSLSPGERATLSCRASQSVSSSYLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYGSSPCTFGQGTRLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTQGTTSVTKSFNRGEC 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 -3.556
Maximum Score 2.3886
Average Score -0.6603
Total Score -292.5154

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

Index Residue Chain A4D Score Classification
1 E A -1.7997 Soluble
2 V A -0.6763 Soluble
3 Q A -0.9899 Soluble
4 L A 0.0000 Buried
5 V A 0.4680 Aggregation-prone
6 E A 0.0000 Buried
7 S A -0.5417 Soluble
8 G A -0.9420 Soluble
9 G A -0.4844 Soluble
11 G A -0.2210 Soluble
12 L A 0.0634 Aggregation-prone
13 V A -0.3598 Soluble
14 Q A -1.2895 Soluble
15 P A -1.1775 Soluble
16 G A -1.1671 Soluble
17 G A -1.0460 Soluble
18 S A -1.2135 Soluble
19 L A -1.0500 Soluble
20 R A -2.1517 Soluble
21 L A 0.0000 Buried
22 S A -0.4766 Soluble
23 C A 0.0000 Buried
24 A A -0.1859 Soluble
25 A A 0.0000 Buried
26 S A -0.6765 Soluble
27 G A -0.8672 Soluble
28 F A -0.3864 Soluble
29 T A -0.3344 Soluble
30 F A 0.0000 Buried
35 S A -1.1472 Soluble
36 N A -0.8728 Soluble
37 Y A -0.3768 Soluble
38 W A -0.4798 Soluble
39 M A 0.0000 Buried
40 N A 0.0000 Buried
41 W A 0.0000 Buried
42 V A 0.0000 Buried
43 R A 0.0000 Buried
44 Q A -0.8177 Soluble
45 A A -1.1679 Soluble
46 P A -0.9462 Soluble
47 G A -1.4847 Soluble
48 K A -2.4140 Soluble
49 G A -1.6507 Soluble
50 L A 0.0000 Buried
51 E A -1.1525 Soluble
52 W A 0.0000 Buried
53 V A 0.0000 Buried
54 A A 0.0000 Buried
55 A A 0.0000 Buried
56 I A 0.0000 Buried
57 N A 0.0000 Buried
58 Q A -1.5405 Soluble
59 D A -2.4363 Soluble
62 G A -1.9019 Soluble
63 S A -1.5967 Soluble
64 E A -1.8854 Soluble
65 K A -1.4096 Soluble
66 Y A -0.2127 Soluble
67 Y A -0.1113 Soluble
68 V A -0.2225 Soluble
69 G A -0.8421 Soluble
70 S A -1.0001 Soluble
71 V A 0.0000 Buried
72 K A -1.9173 Soluble
74 G A -1.4283 Soluble
75 R A 0.0000 Buried
76 F A 0.0000 Buried
77 T A -0.8473 Soluble
78 I A 0.0000 Buried
79 S A -0.8859 Soluble
80 R A -1.2423 Soluble
81 D A -1.7105 Soluble
82 N A -1.9592 Soluble
83 A A -1.3344 Soluble
84 K A -2.2589 Soluble
85 N A -1.7341 Soluble
86 S A 0.0000 Buried
87 L A 0.0000 Buried
88 Y A -0.5526 Soluble
89 L A 0.0000 Buried
90 Q A -1.2502 Soluble
91 M A 0.0000 Buried
92 N A -1.3625 Soluble
93 S A -1.1909 Soluble
94 L A 0.0000 Buried
95 R A -1.4015 Soluble
96 V A 0.0315 Aggregation-prone
97 E A -1.3967 Soluble
98 D A 0.0000 Buried
99 T A -0.1783 Soluble
100 A A 0.0000 Buried
101 V A 0.1687 Aggregation-prone
102 Y A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 V A 0.0000 Buried
106 R A -0.1790 Soluble
107 D A 0.0000 Buried
108 Y A 0.3355 Aggregation-prone
109 Y A 0.7199 Aggregation-prone
110 D A 1.1467 Aggregation-prone
111 I A 2.3886 Aggregation-prone
111A L A 2.2549 Aggregation-prone
111B T A 0.6306 Aggregation-prone
111C D A -0.2658 Soluble
112D Y A 1.6057 Aggregation-prone
112C Y A 1.4739 Aggregation-prone
112B I A 1.3085 Aggregation-prone
112A H A 0.6376 Aggregation-prone
112 Y A 0.4877 Aggregation-prone
113 W A 0.2548 Aggregation-prone
114 Y A 0.0000 Buried
115 F A 0.0000 Buried
116 D A -0.5699 Soluble
117 L A -0.3338 Soluble
118 W A 0.0000 Buried
119 G A 0.0000 Buried
120 R A -1.9318 Soluble
121 G A 0.0000 Buried
122 T A 0.0000 Buried
123 L A 0.3012 Aggregation-prone
124 V A 0.0000 Buried
125 T A 0.0000 Buried
126 V A 0.0000 Buried
127 S A -0.4542 Soluble
128 S A -0.4829 Soluble
129 A A -0.4734 Soluble
130 S A -0.5776 Soluble
131 T A -0.5500 Soluble
132 K A -1.1185 Soluble
133 G A -1.3888 Soluble
134 P A 0.0000 Buried
135 S A -0.1700 Soluble
136 V A 0.0000 Buried
137 F A -0.6041 Soluble
138 P A -1.1546 Soluble
139 L A 0.0000 Buried
140 A A -1.2298 Soluble
141 P A 0.0000 Buried
142 S A -1.5234 Soluble
143 S A -1.8440 Soluble
144 K A -2.0525 Soluble
145 S A -1.3389 Soluble
146 T A -0.7850 Soluble
147 S A -0.7541 Soluble
148 G A -1.0420 Soluble
149 G A -0.9097 Soluble
150 T A -0.6397 Soluble
151 A A 0.0000 Buried
152 A A 0.0000 Buried
153 L A 0.0000 Buried
154 G A 0.0000 Buried
155 C A 0.0000 Buried
156 L A 0.0000 Buried
157 V A 0.0000 Buried
158 K A 0.0000 Buried
159 D A -0.3599 Soluble
160 Y A 0.0000 Buried
161 F A 0.0000 Buried
162 P A 0.0000 Buried
163 E A -0.4947 Soluble
164 P A -0.8182 Soluble
165 V A -0.8472 Soluble
166 T A -0.7393 Soluble
167 V A -0.4005 Soluble
168 S A -0.3709 Soluble
169 W A 0.0000 Buried
170 N A -0.6475 Soluble
171 S A -0.5482 Soluble
172 G A -0.3865 Soluble
173 A A -0.1755 Soluble
174 L A 0.0538 Aggregation-prone
175 T A -0.1514 Soluble
176 S A -0.2086 Soluble
177 G A -0.2681 Soluble
178 V A 0.1435 Aggregation-prone
179 H A -0.2738 Soluble
180 T A -0.0066 Soluble
181 F A 0.0000 Buried
182 P A -0.2815 Soluble
183 A A 0.2318 Aggregation-prone
184 V A 0.5855 Aggregation-prone
185 L A 1.0883 Aggregation-prone
186 Q A 0.2688 Aggregation-prone
187 S A -0.0660 Soluble
188 S A -0.1894 Soluble
189 G A 0.0413 Aggregation-prone
190 L A 0.1490 Aggregation-prone
191 Y A 0.3994 Aggregation-prone
192 S A 0.0000 Buried
193 L A 0.0000 Buried
194 S A 0.0000 Buried
195 S A 0.0000 Buried
196 V A 0.0000 Buried
197 V A 0.0000 Buried
198 T A -0.1355 Soluble
199 V A 0.0000 Buried
200 P A -0.5710 Soluble
201 S A -0.9617 Soluble
202 S A -0.8698 Soluble
203 S A -0.7056 Soluble
204 L A 0.0000 Buried
205 G A -1.0446 Soluble
206 T A -0.7422 Soluble
207 Q A -1.1641 Soluble
208 T A -1.0883 Soluble
209 Y A 0.0000 Buried
210 I A -1.1205 Soluble
211 C A 0.0000 Buried
212 N A -1.4661 Soluble
213 V A 0.0000 Buried
214 N A -2.4022 Soluble
215 H A 0.0000 Buried
216 K A -2.8781 Soluble
217 P A -1.6256 Soluble
218 S A -1.8633 Soluble
219 N A -2.6790 Soluble
220 T A -2.1807 Soluble
221 K A -2.8570 Soluble
222 V A -1.6105 Soluble
223 D A -2.2838 Soluble
224 K A -2.0163 Soluble
225 K A -2.3520 Soluble
226 V A 0.0000 Buried
227 E A -2.8660 Soluble
228 P A -2.2691 Soluble
229 K A -2.3260 Soluble
230 S A -1.2519 Soluble
231 C A -0.1019 Soluble
1 E B -1.6218 Soluble
2 I B 0.0000 Buried
3 V B 0.7376 Aggregation-prone
4 L B 0.0000 Buried
5 T B -0.5826 Soluble
6 Q B 0.0000 Buried
7 S B -0.6680 Soluble
8 P B -0.4306 Soluble
9 G B -0.7780 Soluble
10 T B -0.3397 Soluble
11 L B -0.1378 Soluble
12 S B -0.4310 Soluble
13 L B -0.9516 Soluble
14 S B -1.5878 Soluble
15 P B -2.1020 Soluble
16 G B -2.3765 Soluble
17 E B -2.8719 Soluble
18 R B -3.2500 Soluble
19 A B 0.0000 Buried
20 T B -0.5292 Soluble
21 L B 0.0000 Buried
22 S B -0.8658 Soluble
23 C B 0.0000 Buried
24 R B -1.9576 Soluble
25 A B 0.0000 Buried
26 S B -0.9796 Soluble
27 Q B -1.7399 Soluble
28 S B -1.4282 Soluble
29 V B 0.0000 Buried
30 S B -0.4835 Soluble
36 S B -0.3139 Soluble
37 S B -0.4178 Soluble
38 Y B 0.2891 Aggregation-prone
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 -1.2479 Soluble
46 P B -1.2645 Soluble
47 G B -1.4418 Soluble
48 Q B -2.0309 Soluble
49 A B -1.4845 Soluble
50 P B 0.0000 Buried
51 R B -1.2353 Soluble
52 L B -0.5368 Soluble
53 L B 0.0000 Buried
54 I B 0.0000 Buried
55 Y B 0.1330 Aggregation-prone
56 G B -0.1189 Soluble
57 A B 0.0000 Buried
65 S B -0.5567 Soluble
66 S B -0.5987 Soluble
67 R B -1.3092 Soluble
68 A B -0.6991 Soluble
69 T B -0.5397 Soluble
70 G B -0.7765 Soluble
71 I B -0.7823 Soluble
72 P B -1.2065 Soluble
74 D B -2.3202 Soluble
75 R B -1.9503 Soluble
76 F B 0.0000 Buried
77 S B -0.8810 Soluble
78 G B -0.4916 Soluble
79 S B -0.7906 Soluble
80 G B -1.2334 Soluble
83 S B -1.1660 Soluble
84 G B -1.3041 Soluble
85 T B -1.9114 Soluble
86 D B -2.6652 Soluble
87 F B 0.0000 Buried
88 T B -0.8393 Soluble
89 L B 0.0000 Buried
90 T B -0.7989 Soluble
91 I B 0.0000 Buried
92 S B -2.4084 Soluble
93 R B -3.5560 Soluble
94 L B 0.0000 Buried
95 E B -2.5026 Soluble
96 P B -1.5786 Soluble
97 E B -2.2458 Soluble
98 D B 0.0000 Buried
99 F B -0.5542 Soluble
100 A B 0.0000 Buried
101 V B -0.0761 Soluble
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 Y B 0.0000 Buried
108 G B -0.1630 Soluble
109 S B -0.7366 Soluble
114 S B -0.6660 Soluble
115 P B -0.5227 Soluble
116 C B 0.0000 Buried
117 T B -0.2194 Soluble
118 F B 0.0181 Aggregation-prone
119 G B 0.0000 Buried
120 Q B -1.4868 Soluble
121 G B 0.0000 Buried
122 T B 0.0000 Buried
123 R B -0.5035 Soluble
124 L B 0.0000 Buried
125 E B 0.0000 Buried
126 I B -0.7782 Soluble
127 K B -1.2683 Soluble
128 R B -0.9083 Soluble
129 T B 0.2537 Aggregation-prone
130 V B 1.2380 Aggregation-prone
131 A B 0.6739 Aggregation-prone
132 A B 0.3683 Aggregation-prone
133 P B 0.0974 Aggregation-prone
134 S B -0.1887 Soluble
135 V B 0.0022 Aggregation-prone
136 F B 0.0878 Aggregation-prone
137 I B 0.1472 Aggregation-prone
138 F B 0.0000 Buried
139 P B -0.4552 Soluble
140 P B 0.0000 Buried
141 S B -1.6884 Soluble
142 D B -2.7886 Soluble
143 E B -2.6984 Soluble
144 Q B 0.0000 Buried
145 L B -2.2354 Soluble
146 K B -2.7031 Soluble
147 S B -1.6611 Soluble
148 G B -1.3264 Soluble
149 T B -0.9609 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 -0.8355 Soluble
159 F B 0.0000 Buried
160 Y B 0.0000 Buried
161 P B -1.3487 Soluble
162 R B -2.7912 Soluble
163 E B -3.0823 Soluble
164 A B -2.2406 Soluble
165 K B -2.3479 Soluble
166 V B -1.1637 Soluble
167 Q B -0.6561 Soluble
168 W B 0.0000 Buried
169 K B -0.6092 Soluble
170 V B 0.0000 Buried
171 D B -1.4847 Soluble
172 N B -1.3850 Soluble
173 A B -0.3180 Soluble
174 L B 0.3257 Aggregation-prone
175 Q B -0.3045 Soluble
176 S B -0.4951 Soluble
177 G B -0.8610 Soluble
178 N B -0.7521 Soluble
179 S B -0.9674 Soluble
180 Q B -1.1066 Soluble
181 E B -1.4088 Soluble
182 S B -0.5734 Soluble
183 V B -0.6755 Soluble
184 T B -1.0074 Soluble
185 E B -1.9435 Soluble
186 Q B -1.6983 Soluble
187 D B -1.8828 Soluble
188 S B -1.9448 Soluble
189 K B -2.3916 Soluble
190 D B -2.0026 Soluble
191 S B -1.7509 Soluble
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 -0.5275 Soluble
199 L B 0.0000 Buried
200 T B -0.3974 Soluble
201 L B -0.6247 Soluble
202 S B -0.9985 Soluble
203 K B -2.0129 Soluble
204 A B -1.8305 Soluble
205 D B -2.4726 Soluble
206 Y B 0.0000 Buried
207 E B -3.3792 Soluble
208 K B -3.4734 Soluble
209 H B -2.7383 Soluble
210 K B -2.9429 Soluble
211 V B -0.9722 Soluble
212 Y B 0.0000 Buried
213 A B 0.0000 Buried
214 C B 0.0000 Buried
215 E B -0.7614 Soluble
216 V B 0.0000 Buried
217 T B -1.0780 Soluble
218 Q B -1.0988 Soluble
219 G B -1.0622 Soluble
220 T B -0.4254 Soluble
221 T B -0.2927 Soluble
222 S B -0.4914 Soluble
223 V B 0.0591 Aggregation-prone
224 T B -0.4132 Soluble
225 K B -0.7572 Soluble
226 S B -0.4835 Soluble
227 F B -0.7708 Soluble
228 N B -1.7587 Soluble
229 R B -2.3132 Soluble
230 G B -1.9942 Soluble
231 E B -2.0999 Soluble
232 C B -0.6809 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 -0.6954 4.0659 CSV PDB
4.5 -0.7408 3.9214 CSV PDB
5.0 -0.7941 3.7607 CSV PDB
5.5 -0.8454 3.5951 CSV PDB
6.0 -0.8837 3.43 CSV PDB
6.5 -0.8994 3.2672 CSV PDB
7.0 -0.8915 3.1052 CSV PDB
7.5 -0.867 2.9437 CSV PDB
8.0 -0.8329 2.7884 CSV PDB
8.5 -0.7915 2.6539 CSV PDB
9.0 -0.7434 2.5593 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH