Ixekizumab / 6nov

A4DAB148_6nov_C_D | Source PDB: 6nov | Chains: C, D | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7021
Max Score
2.5441
Min Score
-3.4244
Total Score
-302.6
Score CDR
-0.3044
Score non-CDR
-0.7555

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGSSVKVSCKASGYSFTDYHIHWVRQAPGQGLEWMGVINPMYGTTDYNQRFKGRVTITADESTSTAYMELSSLRSEDTAVYYCARYDYFTGTGVYWGQGTLVTVSSASTKGPSVFPLAPGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIVMTQTPLSLSVTPGQPASISCRSSRSLVHSRGNTYLHWYLQKPGQSPQLLIYKVSNRFIGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCSQSTHLPFTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input.pdb
Selected Chain(s) C (Heavy), D (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 -3.4244
Maximum Score 2.5441
Average Score -0.7021
Total Score -302.6049

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

Index Residue Chain A4D Score Classification
1 Q C -1.4795 Soluble
2 V C -0.8874 Soluble
3 Q C -1.0421 Soluble
4 L C 0.0000 Buried
5 V C 0.5840 Aggregation-prone
6 Q C 0.0000 Buried
7 S C -0.5787 Soluble
8 G C -1.0511 Soluble
9 A C -1.0570 Soluble
11 E C -1.3846 Soluble
12 V C -0.8851 Soluble
13 K C -1.7205 Soluble
14 K C -2.4686 Soluble
15 P C -2.2868 Soluble
16 G C -1.7170 Soluble
17 S C -1.3420 Soluble
18 S C -1.4248 Soluble
19 V C 0.0000 Buried
20 K C -1.9829 Soluble
21 V C 0.0000 Buried
22 S C -0.4989 Soluble
23 C C 0.0000 Buried
24 K C -0.6886 Soluble
25 A C 0.0000 Buried
26 S C -0.8073 Soluble
27 G C -1.0358 Soluble
28 Y C -0.6894 Soluble
29 S C -0.9303 Soluble
30 F C 0.0000 Buried
35 T C -0.9431 Soluble
36 D C -1.6237 Soluble
37 Y C -0.6027 Soluble
38 H C -0.5525 Soluble
39 I C 0.0000 Buried
40 H C 0.0000 Buried
41 W C 0.0000 Buried
42 V C 0.0000 Buried
43 R C 0.0000 Buried
44 Q C -0.6021 Soluble
45 A C -0.9935 Soluble
46 P C -0.8266 Soluble
47 G C -1.2112 Soluble
48 Q C -1.8616 Soluble
49 G C -1.3067 Soluble
50 L C 0.0000 Buried
51 E C -0.7405 Soluble
52 W C 0.0000 Buried
53 M C 0.0000 Buried
54 G C 0.0000 Buried
55 V C 0.0000 Buried
56 I C 0.0000 Buried
57 N C -0.2054 Soluble
58 P C -0.3173 Soluble
59 M C 0.6296 Aggregation-prone
62 Y C 1.4990 Aggregation-prone
63 G C -0.0014 Soluble
64 T C -0.0732 Soluble
65 T C -0.6033 Soluble
66 D C -1.0927 Soluble
67 Y C -0.8629 Soluble
68 N C -1.5509 Soluble
69 Q C -2.7084 Soluble
70 R C -2.8216 Soluble
71 F C 0.0000 Buried
72 K C -2.8172 Soluble
74 G C -1.8475 Soluble
75 R C -1.5828 Soluble
76 V C 0.0000 Buried
77 T C -0.7145 Soluble
78 I C 0.0000 Buried
79 T C -0.3505 Soluble
80 A C -0.7523 Soluble
81 D C -1.7799 Soluble
82 E C -2.2516 Soluble
83 S C -1.3438 Soluble
84 T C -1.1361 Soluble
85 S C -1.3441 Soluble
86 T C 0.0000 Buried
87 A C 0.0000 Buried
88 Y C -0.5950 Soluble
89 M C 0.0000 Buried
90 E C -1.4847 Soluble
91 L C 0.0000 Buried
92 S C -1.1926 Soluble
93 S C -1.2616 Soluble
94 L C 0.0000 Buried
95 R C -3.1023 Soluble
96 S C -2.3499 Soluble
97 E C -2.5571 Soluble
98 D C 0.0000 Buried
99 T C -0.9470 Soluble
100 A C 0.0000 Buried
101 V C 0.2014 Aggregation-prone
102 Y C 0.0000 Buried
103 Y C 0.0000 Buried
104 C C 0.0000 Buried
105 A C 0.0000 Buried
106 R C 0.0000 Buried
107 Y C 0.0000 Buried
108 D C 0.0000 Buried
109 Y C 2.1902 Aggregation-prone
110 F C 2.5441 Aggregation-prone
112 T C 0.0000 Buried
113 G C 1.0150 Aggregation-prone
114 T C 0.0000 Buried
115 G C 0.0000 Buried
116 V C 0.0000 Buried
117 Y C 0.0742 Aggregation-prone
118 W C -0.1238 Soluble
119 G C 0.0000 Buried
120 Q C -1.1645 Soluble
121 G C -0.5458 Soluble
122 T C 0.0000 Buried
123 L C -0.2146 Soluble
124 V C 0.0000 Buried
125 T C -0.9806 Soluble
126 V C 0.0000 Buried
127 S C -1.1843 Soluble
128 S C -1.0079 Soluble
129 A C -0.5577 Soluble
130 S C -0.6480 Soluble
131 T C -0.6563 Soluble
132 K C -0.9794 Soluble
133 G C -1.2868 Soluble
134 P C 0.0000 Buried
135 S C -0.2450 Soluble
136 V C 0.0000 Buried
137 F C 0.0000 Buried
138 P C -1.2413 Soluble
139 L C 0.0000 Buried
140 A C -0.8375 Soluble
141 P C -0.4547 Soluble
142 G C -0.6516 Soluble
143 T C -0.4914 Soluble
144 A C -0.2405 Soluble
145 A C 0.0000 Buried
146 L C 0.0000 Buried
147 G C 0.0000 Buried
148 C C 0.0000 Buried
149 L C 0.0000 Buried
150 V C 0.0000 Buried
151 K C 0.0000 Buried
152 D C -0.3359 Soluble
153 Y C 0.0000 Buried
154 F C 0.0000 Buried
155 P C 0.0000 Buried
156 E C -0.5507 Soluble
157 P C -0.7732 Soluble
158 V C 0.0000 Buried
159 T C -0.5579 Soluble
160 V C -0.1569 Soluble
161 S C -0.3447 Soluble
162 W C 0.0000 Buried
163 N C -0.7866 Soluble
164 S C -0.6447 Soluble
165 G C -0.5185 Soluble
166 A C -0.2220 Soluble
167 L C -0.0074 Soluble
168 T C -0.1646 Soluble
169 S C -0.1929 Soluble
170 G C -0.2306 Soluble
171 V C 0.1374 Aggregation-prone
172 H C -0.1728 Soluble
173 T C 0.0274 Aggregation-prone
174 F C 0.0000 Buried
175 P C -0.3973 Soluble
176 A C 0.1801 Aggregation-prone
177 V C 0.4737 Aggregation-prone
178 L C 1.2104 Aggregation-prone
179 Q C 0.2807 Aggregation-prone
180 S C -0.0808 Soluble
181 S C -0.2195 Soluble
182 G C 0.0274 Aggregation-prone
183 L C 0.2108 Aggregation-prone
184 Y C 0.4722 Aggregation-prone
185 S C 0.0000 Buried
186 L C 0.0000 Buried
187 S C 0.0000 Buried
188 S C 0.0000 Buried
189 V C 0.0000 Buried
190 V C 0.0000 Buried
191 T C -0.1465 Soluble
192 V C 0.0000 Buried
193 P C -0.4806 Soluble
194 S C -0.4784 Soluble
195 S C -0.5884 Soluble
196 S C -0.6338 Soluble
197 L C -0.6670 Soluble
198 G C -1.1115 Soluble
199 T C -0.8081 Soluble
200 Q C -1.4711 Soluble
201 T C -1.4073 Soluble
202 Y C 0.0000 Buried
203 I C -1.4093 Soluble
204 C C 0.0000 Buried
205 N C -1.3562 Soluble
206 V C 0.0000 Buried
207 N C -1.7731 Soluble
208 H C 0.0000 Buried
209 K C -2.9476 Soluble
210 P C -1.8349 Soluble
211 S C -1.8510 Soluble
212 N C -2.5137 Soluble
213 T C -2.0450 Soluble
214 K C -2.6564 Soluble
215 V C -1.6623 Soluble
216 D C -2.2873 Soluble
217 K C -2.2774 Soluble
218 K C -2.6925 Soluble
219 V C 0.0000 Buried
220 E C -2.5971 Soluble
221 P C -1.3658 Soluble
1 D D -1.6971 Soluble
2 I D -0.4417 Soluble
3 V D 0.7257 Aggregation-prone
4 M D 0.0000 Buried
5 T D -0.5022 Soluble
6 Q D 0.0000 Buried
7 T D -0.1315 Soluble
8 P D 0.3544 Aggregation-prone
9 L D 0.8433 Aggregation-prone
10 S D 0.0638 Aggregation-prone
11 L D -0.2902 Soluble
12 S D -1.0081 Soluble
13 V D 0.0000 Buried
14 T D -1.7609 Soluble
15 P D -1.8555 Soluble
16 G D -1.9517 Soluble
17 Q D -2.3130 Soluble
18 P D -2.1116 Soluble
19 A D 0.0000 Buried
20 S D -0.7821 Soluble
21 I D 0.0000 Buried
22 S D -0.9746 Soluble
23 C D 0.0000 Buried
24 R D -2.4523 Soluble
25 S D 0.0000 Buried
26 S D -1.1883 Soluble
27 R D -2.2693 Soluble
28 S D -1.5249 Soluble
29 L D 0.0000 Buried
30 V D -0.5730 Soluble
31 H D -1.3122 Soluble
32 S D -1.4126 Soluble
34 R D -2.2622 Soluble
35 G D -1.5727 Soluble
36 N D -1.2502 Soluble
37 T D -0.6071 Soluble
38 Y D -0.1861 Soluble
39 L D 0.0000 Buried
40 H D 0.0000 Buried
41 W D 0.0000 Buried
42 Y D 0.0000 Buried
43 L D -0.2919 Soluble
44 Q D 0.0000 Buried
45 K D -1.2283 Soluble
46 P D -0.9938 Soluble
47 G D -1.3652 Soluble
48 Q D -1.7613 Soluble
49 S D -1.1061 Soluble
50 P D 0.0000 Buried
51 Q D -0.7682 Soluble
52 L D 0.0000 Buried
53 L D 0.0000 Buried
54 I D 0.0000 Buried
55 Y D -0.0992 Soluble
56 K D -0.2524 Soluble
57 V D -0.4605 Soluble
65 S D -0.8235 Soluble
66 N D -0.9524 Soluble
67 R D -1.1069 Soluble
68 F D 0.4438 Aggregation-prone
69 I D 1.6552 Aggregation-prone
70 G D 0.2760 Aggregation-prone
71 V D -0.1922 Soluble
72 P D -0.9701 Soluble
74 D D -2.2000 Soluble
75 R D -2.1050 Soluble
76 F D 0.0000 Buried
77 S D -1.4591 Soluble
78 G D -0.9492 Soluble
79 S D -0.9744 Soluble
80 G D -1.1765 Soluble
83 S D -0.9375 Soluble
84 G D -1.1998 Soluble
85 T D -1.9947 Soluble
86 D D -2.8822 Soluble
87 F D 0.0000 Buried
88 T D -1.1993 Soluble
89 L D 0.0000 Buried
90 K D -1.8386 Soluble
91 I D 0.0000 Buried
92 S D -2.3652 Soluble
93 R D -3.0866 Soluble
94 V D 0.0000 Buried
95 E D -2.8186 Soluble
96 A D -2.5842 Soluble
97 E D -2.7994 Soluble
98 D D 0.0000 Buried
99 V D 0.0000 Buried
100 G D 0.0000 Buried
101 V D -0.2291 Soluble
102 Y D 0.0000 Buried
103 Y D 0.0000 Buried
104 C D 0.0000 Buried
105 S D 0.0000 Buried
106 Q D 0.0000 Buried
107 S D -0.1067 Soluble
108 T D -0.3547 Soluble
109 H D -0.9018 Soluble
114 L D 0.0970 Aggregation-prone
115 P D -0.4749 Soluble
116 F D 0.2749 Aggregation-prone
117 T D 0.0757 Aggregation-prone
118 F D 0.1416 Aggregation-prone
119 G D 0.0000 Buried
120 Q D -1.0914 Soluble
121 G D 0.0000 Buried
122 T D 0.0000 Buried
123 K D -0.7340 Soluble
124 L D 0.0000 Buried
125 E D -1.4152 Soluble
126 I D 0.0000 Buried
127 K D -1.7853 Soluble
128 R D -1.2313 Soluble
129 T D -0.1195 Soluble
130 V D 0.3379 Aggregation-prone
131 A D -0.0989 Soluble
132 A D -0.0602 Soluble
133 P D 0.0000 Buried
134 S D -0.0459 Soluble
135 V D 0.0827 Aggregation-prone
136 F D 0.1749 Aggregation-prone
137 I D 0.1258 Aggregation-prone
138 F D 0.0000 Buried
139 P D -0.4427 Soluble
140 P D 0.0000 Buried
141 S D -1.5974 Soluble
142 D D -2.8936 Soluble
143 E D -2.8731 Soluble
144 Q D 0.0000 Buried
145 L D -2.2569 Soluble
146 K D -2.8409 Soluble
147 S D -1.7601 Soluble
148 G D -1.3019 Soluble
149 T D -0.8944 Soluble
150 A D 0.0000 Buried
151 S D 0.0000 Buried
152 V D 0.0000 Buried
153 V D 0.0000 Buried
154 C D 0.0000 Buried
155 L D 0.0000 Buried
156 L D 0.0000 Buried
157 N D 0.0000 Buried
158 N D -0.8216 Soluble
159 F D 0.0000 Buried
160 Y D 0.0000 Buried
161 P D -1.7855 Soluble
162 R D -2.9798 Soluble
163 E D -3.2770 Soluble
164 A D -2.3467 Soluble
165 K D -2.4384 Soluble
166 V D -1.1298 Soluble
167 Q D -0.6120 Soluble
168 W D 0.0000 Buried
169 K D -0.5638 Soluble
170 V D 0.0000 Buried
171 D D -1.8867 Soluble
172 N D -1.3626 Soluble
173 A D -0.2720 Soluble
174 L D 0.7068 Aggregation-prone
175 Q D -0.2382 Soluble
176 S D -0.6005 Soluble
177 G D -1.2091 Soluble
178 N D -1.4546 Soluble
179 S D -1.4764 Soluble
180 Q D -1.6699 Soluble
181 E D -2.0155 Soluble
182 S D -0.9264 Soluble
183 V D -0.5365 Soluble
184 T D -0.5807 Soluble
185 E D -1.1703 Soluble
186 Q D 0.0000 Buried
187 D D -1.9002 Soluble
188 S D -2.3282 Soluble
189 K D -2.8823 Soluble
190 D D -2.1552 Soluble
191 S D 0.0000 Buried
192 T D 0.0000 Buried
193 Y D 0.0000 Buried
194 S D 0.0000 Buried
195 L D 0.0000 Buried
196 S D 0.0000 Buried
197 S D 0.0000 Buried
198 T D -0.8161 Soluble
199 L D 0.0000 Buried
200 T D -0.6092 Soluble
201 L D -0.7473 Soluble
202 S D -1.0017 Soluble
203 K D -1.9891 Soluble
204 A D -1.7193 Soluble
205 D D -2.3268 Soluble
206 Y D 0.0000 Buried
207 E D -3.1780 Soluble
208 K D -3.4244 Soluble
209 H D -2.8917 Soluble
210 K D -3.1041 Soluble
211 V D -1.5769 Soluble
212 Y D 0.0000 Buried
213 A D 0.0000 Buried
214 C D 0.0000 Buried
215 E D -0.7428 Soluble
216 V D 0.0000 Buried
217 T D -1.2139 Soluble
218 H D 0.0000 Buried
219 Q D -1.7406 Soluble
220 G D -0.3869 Soluble
221 L D -0.2031 Soluble
222 S D -0.4355 Soluble
223 S D -0.3987 Soluble
224 P D -0.5128 Soluble
225 V D 0.0025 Aggregation-prone
226 T D -0.4697 Soluble
227 K D -0.7163 Soluble
228 S D -0.5827 Soluble
229 F D -0.7936 Soluble
230 N D -1.9315 Soluble
231 R D -2.8242 Soluble
232 G D -2.3080 Soluble
233 E D -2.2871 Soluble
234 C D -0.5081 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
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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 -0.7126 4.8264 CSV PDB
4.5 -0.7564 4.8267 CSV PDB
5.0 -0.8079 4.8274 CSV PDB
5.5 -0.8559 4.8295 CSV PDB
6.0 -0.8893 4.8338 CSV PDB
6.5 -0.9009 4.8406 CSV PDB
7.0 -0.8913 4.8489 CSV PDB
7.5 -0.868 4.8579 CSV PDB
8.0 -0.837 4.867 CSV PDB
8.5 -0.8006 4.8758 CSV PDB
9.0 -0.7586 4.8835 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH