Ixekizumab / 6nov

A4DAB148_6nov_A_B | Source PDB: 6nov | Chains: A, B | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6849
Max Score
2.4681
Min Score
-3.3417
Total Score
-294.5
Score CDR
-0.1857
Score non-CDR
-0.752

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGSSVKVSCKASGYSFTDYHIHWVRQAPGQGLEWMGVINPMYGTTDYNQRFKGRVTITADESTSTAYMELSSLRSEDTAVYYCARYDYFTGTGVYWGQGTLVTVSSASTKGPSVFPLAPGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIVMTQTPLSLSVTPGQPASISCRSSRSLVHSRGNTYLHWYLQKPGQSPQLLIYKVSNRFIGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCSQSTHLPFTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE 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 -3.3417
Maximum Score 2.4681
Average Score -0.6849
Total Score -294.4959

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

Index Residue Chain A4D Score Classification
1 Q A -1.3786 Soluble
2 V A -0.6810 Soluble
3 Q A -0.8414 Soluble
4 L A 0.0000 Buried
5 V A 0.6500 Aggregation-prone
6 Q A 0.0000 Buried
7 S A -0.7215 Soluble
8 G A -1.0615 Soluble
9 A A -1.0996 Soluble
11 E A -1.4527 Soluble
12 V A -0.9670 Soluble
13 K A -1.7136 Soluble
14 K A -2.3646 Soluble
15 P A -1.7838 Soluble
16 G A -1.4967 Soluble
17 S A -1.2617 Soluble
18 S A -1.4113 Soluble
19 V A 0.0000 Buried
20 K A -2.0699 Soluble
21 V A 0.0000 Buried
22 S A -0.5499 Soluble
23 C A 0.0000 Buried
24 K A -0.8235 Soluble
25 A A 0.0000 Buried
26 S A -0.7489 Soluble
27 G A -0.9482 Soluble
28 Y A -0.6228 Soluble
29 S A -0.8923 Soluble
30 F A 0.0000 Buried
35 T A -0.8754 Soluble
36 D A -1.5505 Soluble
37 Y A -0.4034 Soluble
38 H A -0.2105 Soluble
39 I A 0.0000 Buried
40 H 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 -0.6077 Soluble
45 A A -1.0003 Soluble
46 P A -0.8265 Soluble
47 G A -1.2098 Soluble
48 Q A -1.8594 Soluble
49 G A -1.3103 Soluble
50 L A 0.0000 Buried
51 E A -0.7275 Soluble
52 W A 0.0000 Buried
53 M A 0.0000 Buried
54 G A 0.0000 Buried
55 V A -0.2676 Soluble
56 I A 0.0000 Buried
57 N A 0.0000 Buried
58 P A 0.0000 Buried
59 M A 0.6895 Aggregation-prone
62 Y A 1.4790 Aggregation-prone
63 G A 0.2504 Aggregation-prone
64 T A 0.0074 Aggregation-prone
65 T A -0.5013 Soluble
66 D A -1.0601 Soluble
67 Y A -0.7861 Soluble
68 N A -1.3767 Soluble
69 Q A -2.4322 Soluble
70 R A -2.1197 Soluble
71 F A 0.0000 Buried
72 K A -2.5521 Soluble
74 G A -1.5990 Soluble
75 R A 0.0000 Buried
76 V A 0.0000 Buried
77 T A -0.6772 Soluble
78 I A 0.0000 Buried
79 T A -0.3398 Soluble
80 A A -0.7884 Soluble
81 D A -1.8835 Soluble
82 E A -2.2281 Soluble
83 S A -1.3557 Soluble
84 T A -1.2027 Soluble
85 S A -1.4410 Soluble
86 T A 0.0000 Buried
87 A A 0.0000 Buried
88 Y A -0.6748 Soluble
89 M A 0.0000 Buried
90 E A -1.5871 Soluble
91 L A 0.0000 Buried
92 S A -1.0415 Soluble
93 S A -1.0117 Soluble
94 L A 0.0000 Buried
95 R A -2.4813 Soluble
96 S A -2.0426 Soluble
97 E A -2.3679 Soluble
98 D A 0.0000 Buried
99 T A -0.8597 Soluble
100 A A 0.0000 Buried
101 V A 0.1899 Aggregation-prone
102 Y A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 A A 0.0000 Buried
106 R A 0.0000 Buried
107 Y A 0.0000 Buried
108 D A 0.8654 Aggregation-prone
109 Y A 2.1529 Aggregation-prone
110 F A 2.4681 Aggregation-prone
112 T A 0.0000 Buried
113 G A 0.9386 Aggregation-prone
114 T A 0.0000 Buried
115 G A 0.0000 Buried
116 V A 0.0000 Buried
117 Y A 0.1042 Aggregation-prone
118 W A 0.0000 Buried
119 G A 0.0000 Buried
120 Q A -1.1758 Soluble
121 G A -0.5582 Soluble
122 T A 0.0000 Buried
123 L A -0.2151 Soluble
124 V A 0.0000 Buried
125 T A -0.9306 Soluble
126 V A 0.0000 Buried
127 S A -1.0687 Soluble
128 S A -0.9657 Soluble
129 A A -0.6091 Soluble
130 S A -0.7135 Soluble
131 T A -0.7670 Soluble
132 K A -1.0708 Soluble
133 G A -1.5811 Soluble
134 P A 0.0000 Buried
135 S A -0.4873 Soluble
136 V A 0.0000 Buried
137 F A 0.0000 Buried
138 P A -1.2264 Soluble
139 L A 0.0000 Buried
140 A A -0.8791 Soluble
141 P A -0.5530 Soluble
142 G A -0.6509 Soluble
143 T A -0.4671 Soluble
144 A A -0.3054 Soluble
145 A A 0.0000 Buried
146 L A 0.0000 Buried
147 G A 0.0000 Buried
148 C A 0.0000 Buried
149 L A 0.0000 Buried
150 V A 0.0000 Buried
151 K A -0.4751 Soluble
152 D A -0.8081 Soluble
153 Y A 0.0000 Buried
154 F A 0.0000 Buried
155 P A 0.0000 Buried
156 E A -0.5701 Soluble
157 P A -0.8301 Soluble
158 V A 0.0000 Buried
159 T A -0.6100 Soluble
160 V A -0.4205 Soluble
161 S A -0.3829 Soluble
162 W A 0.0000 Buried
163 N A 0.0000 Buried
164 S A -0.6374 Soluble
165 G A -0.4782 Soluble
166 A A -0.1425 Soluble
167 L A 0.1118 Aggregation-prone
168 T A -0.0767 Soluble
169 S A -0.1828 Soluble
170 G A -0.2362 Soluble
171 V A 0.1389 Aggregation-prone
172 H A -0.2356 Soluble
173 T A -0.0037 Soluble
174 F A 0.0000 Buried
175 P A -0.4048 Soluble
176 A A 0.1993 Aggregation-prone
177 V A 0.5262 Aggregation-prone
178 L A 1.1238 Aggregation-prone
179 Q A 0.1763 Aggregation-prone
180 S A -0.0959 Soluble
181 S A -0.2893 Soluble
182 G A -0.0390 Soluble
183 L A 0.0479 Aggregation-prone
184 Y A 0.3125 Aggregation-prone
185 S A 0.0000 Buried
186 L A 0.0000 Buried
187 S A 0.0000 Buried
188 S A 0.0000 Buried
189 V A 0.0000 Buried
190 V A 0.0000 Buried
191 T A -0.2039 Soluble
192 V A 0.0000 Buried
193 P A -0.4677 Soluble
194 S A -0.5954 Soluble
195 S A -0.6124 Soluble
196 S A -0.5959 Soluble
197 L A -0.8484 Soluble
198 G A -1.0324 Soluble
199 T A -0.6701 Soluble
200 Q A -1.0321 Soluble
201 T A -1.0928 Soluble
202 Y A 0.0000 Buried
203 I A -1.4026 Soluble
204 C A 0.0000 Buried
205 N A -1.6209 Soluble
206 V A 0.0000 Buried
207 N A -1.9111 Soluble
208 H A 0.0000 Buried
209 K A -2.9480 Soluble
210 P A -1.9026 Soluble
211 S A -1.9029 Soluble
212 N A -2.4505 Soluble
213 T A -2.1000 Soluble
214 K A -2.8089 Soluble
215 V A -2.0211 Soluble
216 D A -2.7781 Soluble
217 K A -2.5168 Soluble
218 K A -2.7412 Soluble
219 V A 0.0000 Buried
220 E A -2.5692 Soluble
221 P A -1.3992 Soluble
1 D B -1.4612 Soluble
2 I B -0.1944 Soluble
3 V B 0.6755 Aggregation-prone
4 M B 0.0000 Buried
5 T B -0.5126 Soluble
6 Q B 0.0000 Buried
7 T B -0.1762 Soluble
8 P B 0.2776 Aggregation-prone
9 L B 0.6855 Aggregation-prone
10 S B 0.0284 Aggregation-prone
11 L B -0.2546 Soluble
12 S B -0.8547 Soluble
13 V B 0.0000 Buried
14 T B -1.5935 Soluble
15 P B -1.7711 Soluble
16 G B -1.9272 Soluble
17 Q B -2.1486 Soluble
18 P B -2.0057 Soluble
19 A B 0.0000 Buried
20 S B -0.7690 Soluble
21 I B 0.0000 Buried
22 S B -0.9319 Soluble
23 C B 0.0000 Buried
24 R B -2.4379 Soluble
25 S B -1.3116 Soluble
26 S B -1.2146 Soluble
27 R B -2.1475 Soluble
28 S B -1.2937 Soluble
29 L B 0.0000 Buried
30 V B -0.0238 Soluble
31 H B -0.9962 Soluble
32 S B -1.2456 Soluble
34 R B -2.1564 Soluble
35 G B -1.4822 Soluble
36 N B -1.1032 Soluble
37 T B -0.4268 Soluble
38 Y B -0.0665 Soluble
39 L B 0.0000 Buried
40 H B 0.0000 Buried
41 W B 0.0000 Buried
42 Y B 0.0000 Buried
43 L B -0.3221 Soluble
44 Q B 0.0000 Buried
45 K B -1.4655 Soluble
46 P B -1.1665 Soluble
47 G B -1.4960 Soluble
48 Q B -1.9502 Soluble
49 S B -1.2191 Soluble
50 P B 0.0000 Buried
51 Q B -0.7963 Soluble
52 L B 0.0000 Buried
53 L B 0.0000 Buried
54 I B 0.0000 Buried
55 Y B 0.0000 Buried
56 K B -0.3241 Soluble
57 V B -0.5385 Soluble
65 S B -0.8853 Soluble
66 N B -1.0946 Soluble
67 R B -1.1410 Soluble
68 F B 0.3832 Aggregation-prone
69 I B 1.6442 Aggregation-prone
70 G B 0.2862 Aggregation-prone
71 V B -0.1914 Soluble
72 P B -0.9680 Soluble
74 D B -2.2000 Soluble
75 R B -2.0854 Soluble
76 F B 0.0000 Buried
77 S B -1.4515 Soluble
78 G B 0.0000 Buried
79 S B -0.9586 Soluble
80 G B -1.1584 Soluble
83 S B -0.8076 Soluble
84 G B -1.0015 Soluble
85 T B -1.8479 Soluble
86 D B -2.6804 Soluble
87 F B 0.0000 Buried
88 T B -1.1465 Soluble
89 L B 0.0000 Buried
90 K B -1.8109 Soluble
91 I B 0.0000 Buried
92 S B -2.3104 Soluble
93 R B -3.0284 Soluble
94 V B 0.0000 Buried
95 E B -2.8632 Soluble
96 A B -2.5760 Soluble
97 E B -2.9178 Soluble
98 D B 0.0000 Buried
99 V B 0.0000 Buried
100 G B 0.0000 Buried
101 V B -0.2148 Soluble
102 Y B 0.0000 Buried
103 Y B 0.0000 Buried
104 C B 0.0000 Buried
105 S B 0.0000 Buried
106 Q B 0.0000 Buried
107 S B 0.0282 Aggregation-prone
108 T B -0.0329 Soluble
109 H B -0.3901 Soluble
114 L B 0.3153 Aggregation-prone
115 P B 0.0000 Buried
116 F B 0.1839 Aggregation-prone
117 T B 0.1615 Aggregation-prone
118 F B 0.1496 Aggregation-prone
119 G B 0.0000 Buried
120 Q B -1.1067 Soluble
121 G B 0.0000 Buried
122 T B 0.0000 Buried
123 K B -0.6549 Soluble
124 L B 0.0000 Buried
125 E B -1.1908 Soluble
126 I B 0.0000 Buried
127 K B -1.4324 Soluble
128 R B -1.0350 Soluble
129 T B -0.1019 Soluble
130 V B 0.4260 Aggregation-prone
131 A B -0.0694 Soluble
132 A B -0.0894 Soluble
133 P B 0.0000 Buried
134 S B -0.1338 Soluble
135 V B 0.0000 Buried
136 F B 0.0825 Aggregation-prone
137 I B 0.0745 Aggregation-prone
138 F B 0.0000 Buried
139 P B -0.5473 Soluble
140 P B -0.8237 Soluble
141 S B -1.5685 Soluble
142 D B -2.8482 Soluble
143 E B -2.7805 Soluble
144 Q B 0.0000 Buried
145 L B -2.2424 Soluble
146 K B -2.8295 Soluble
147 S B -1.7575 Soluble
148 G B -1.3191 Soluble
149 T B -0.9267 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 -0.9010 Soluble
159 F B 0.0000 Buried
160 Y B 0.0000 Buried
161 P B -1.7014 Soluble
162 R B -2.9205 Soluble
163 E B -3.1918 Soluble
164 A B -2.2234 Soluble
165 K B -2.1750 Soluble
166 V B -0.9690 Soluble
167 Q B -0.4219 Soluble
168 W B 0.0000 Buried
169 K B -0.4825 Soluble
170 V B 0.0000 Buried
171 D B -1.9587 Soluble
172 N B -1.5136 Soluble
173 A B -0.2427 Soluble
174 L B 0.7520 Aggregation-prone
175 Q B -0.2115 Soluble
176 S B -0.5953 Soluble
177 G B -1.2456 Soluble
178 N B -1.5213 Soluble
179 S B -1.4924 Soluble
180 Q B -1.7059 Soluble
181 E B -2.0110 Soluble
182 S B -0.9301 Soluble
183 V B -0.5819 Soluble
184 T B -0.7289 Soluble
185 E B -1.4601 Soluble
186 Q B 0.0000 Buried
187 D B -2.0486 Soluble
188 S B -2.4202 Soluble
189 K B -2.8508 Soluble
190 D B -2.0078 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 -0.8352 Soluble
199 L B 0.0000 Buried
200 T B -0.6261 Soluble
201 L B -0.7401 Soluble
202 S B -1.0134 Soluble
203 K B -2.0192 Soluble
204 A B -1.7055 Soluble
205 D B -2.3161 Soluble
206 Y B 0.0000 Buried
207 E B -2.9961 Soluble
208 K B -3.3417 Soluble
209 H B -2.8691 Soluble
210 K B -3.2156 Soluble
211 V B -1.5377 Soluble
212 Y B 0.0000 Buried
213 A B -0.8559 Soluble
214 C B 0.0000 Buried
215 E B -0.7116 Soluble
216 V B 0.0000 Buried
217 T B -1.1333 Soluble
218 H B 0.0000 Buried
219 Q B -1.7148 Soluble
220 G B -0.3843 Soluble
221 L B -0.2026 Soluble
222 S B -0.4414 Soluble
223 S B -0.4049 Soluble
224 P B -0.5118 Soluble
225 V B -0.0028 Soluble
226 T B -0.4986 Soluble
227 K B -0.7787 Soluble
228 S B -0.6522 Soluble
229 F B -1.0454 Soluble
230 N B -2.1198 Soluble
231 R B -2.6090 Soluble
232 G B -2.2167 Soluble
233 E B -2.5468 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
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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 -0.702 4.7848 CSV PDB
4.5 -0.7473 4.7724 CSV PDB
5.0 -0.8002 4.7601 CSV PDB
5.5 -0.8499 4.749 CSV PDB
6.0 -0.8857 4.7402 CSV PDB
6.5 -0.8997 4.7343 CSV PDB
7.0 -0.892 4.7303 CSV PDB
7.5 -0.8695 4.7277 CSV PDB
8.0 -0.8386 4.727 CSV PDB
8.5 -0.8009 4.7291 CSV PDB
9.0 -0.7568 4.7336 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH