Secukinumab / 6wir

A4DAB237_6wir_A_B | Source PDB: 6wir | Chains: A, B | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6913
Max Score
2.0404
Min Score
-3.5033
Total Score
-303.46
Score CDR
-0.2126
Score non-CDR
-0.7598

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGFTFSNYWMNWVRQAPGKGLEWVAAINQDGSEKYYVGSVKGRFTISRDNAKNSLYLQMNSLRVEDTAVYYCVRDYYDILTDYYIHYWYFDLWGRGTLVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESEIVLTQSPGTLSLSPGERATLSCRASQSVSSSYLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYGSSPCTFGQGTRLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTQGTTSVTKSFNRGE 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 -3.5033
Maximum Score 2.0404
Average Score -0.6913
Total Score -303.4642

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

Index Residue Chain A4D Score Classification
1 E A -1.8744 Soluble
2 V A -0.7596 Soluble
3 Q A -1.4691 Soluble
4 L A 0.0000 Buried
5 V A -0.0793 Soluble
6 E A 0.0000 Buried
7 S A -0.5768 Soluble
8 G A -0.7996 Soluble
9 G A -0.3552 Soluble
11 G A -0.0666 Soluble
12 L A -0.0099 Soluble
13 V A -0.4690 Soluble
14 Q A -1.4024 Soluble
15 P A -1.3497 Soluble
16 G A -1.3062 Soluble
17 G A -1.1742 Soluble
18 S A -1.2396 Soluble
19 L A -1.0307 Soluble
20 R A -2.0479 Soluble
21 L A 0.0000 Buried
22 S A -0.5156 Soluble
23 C A 0.0000 Buried
24 A A -0.4756 Soluble
25 A A 0.0000 Buried
26 S A -0.8368 Soluble
27 G A -0.9686 Soluble
28 F A -0.4101 Soluble
29 T A -0.3682 Soluble
30 F A 0.0000 Buried
35 S A -1.1900 Soluble
36 N A -0.8440 Soluble
37 Y A -0.3263 Soluble
38 W A -0.3149 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 -0.8181 Soluble
45 A A -1.2028 Soluble
46 P A -0.9293 Soluble
47 G A -1.4836 Soluble
48 K A -2.3979 Soluble
49 G A -1.6303 Soluble
50 L A 0.0000 Buried
51 E A -1.1497 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 -1.5268 Soluble
59 D A -2.4183 Soluble
62 G A -1.8315 Soluble
63 S A -1.5005 Soluble
64 E A -1.6761 Soluble
65 K A -1.1805 Soluble
66 Y A -0.0257 Soluble
67 Y A 0.0306 Aggregation-prone
68 V A -0.1515 Soluble
69 G A -0.7928 Soluble
70 S A -0.9626 Soluble
71 V A 0.0000 Buried
72 K A -1.8920 Soluble
74 G A -1.4053 Soluble
75 R A 0.0000 Buried
76 F A 0.0000 Buried
77 T A -0.7977 Soluble
78 I A 0.0000 Buried
79 S A -0.7571 Soluble
80 R A -1.2950 Soluble
81 D A -1.8059 Soluble
82 N A -2.1026 Soluble
83 A A -1.4482 Soluble
84 K A -2.3977 Soluble
85 N A -2.0705 Soluble
86 S A -1.1967 Soluble
87 L A 0.0000 Buried
88 Y A -0.5754 Soluble
89 L A 0.0000 Buried
90 Q A -1.1645 Soluble
91 M A 0.0000 Buried
92 N A -1.3353 Soluble
93 S A -1.2649 Soluble
94 L A 0.0000 Buried
95 R A -1.6787 Soluble
96 V A -0.0986 Soluble
97 E A -1.4888 Soluble
98 D A 0.0000 Buried
99 T A -0.2179 Soluble
100 A A 0.0000 Buried
101 V A 0.1394 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 -0.2396 Soluble
107 D A 0.0000 Buried
108 Y A 0.3511 Aggregation-prone
109 Y A 0.5024 Aggregation-prone
110 D A 1.0941 Aggregation-prone
111 I A 1.9263 Aggregation-prone
111A L A 2.0404 Aggregation-prone
111B T A 0.5961 Aggregation-prone
111C D A -0.4399 Soluble
112D Y A 1.3606 Aggregation-prone
112C Y A 1.2162 Aggregation-prone
112B I A 1.1112 Aggregation-prone
112A H A 0.5399 Aggregation-prone
112 Y A 0.4279 Aggregation-prone
113 W A 0.2253 Aggregation-prone
114 Y A 0.0000 Buried
115 F A 0.0000 Buried
116 D A -0.4826 Soluble
117 L A -0.3286 Soluble
118 W A 0.0000 Buried
119 G A 0.0000 Buried
120 R A -2.0625 Soluble
121 G A 0.0000 Buried
122 T A -0.2024 Soluble
123 L A 0.1032 Aggregation-prone
124 V A 0.0000 Buried
125 T A 0.0000 Buried
126 V A 0.0000 Buried
127 S A -0.5111 Soluble
128 S A -0.4950 Soluble
129 A A -0.5519 Soluble
130 S A -0.6507 Soluble
131 T A -0.6983 Soluble
132 K A -1.1892 Soluble
133 G A -1.3981 Soluble
134 P A 0.0000 Buried
135 S A -0.4146 Soluble
136 V A -0.6232 Soluble
137 F A 0.0000 Buried
138 P A -1.2509 Soluble
139 L A 0.0000 Buried
140 A A -0.5582 Soluble
141 P A -0.6658 Soluble
142 C A -0.9033 Soluble
143 S A -1.0195 Soluble
144 R A -1.5696 Soluble
145 S A -0.9945 Soluble
146 T A -1.0480 Soluble
147 S A -1.4324 Soluble
148 E A -2.2522 Soluble
149 S A -1.2808 Soluble
150 T A -0.8968 Soluble
151 A A -0.7806 Soluble
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 -0.1973 Soluble
159 D A -0.4327 Soluble
160 Y A 0.0000 Buried
161 F A 0.0000 Buried
162 P A 0.0000 Buried
163 E A -0.6284 Soluble
164 P A -0.8164 Soluble
165 V A 0.0000 Buried
166 T A -0.6277 Soluble
167 V A -0.3222 Soluble
168 S A -0.4439 Soluble
169 W A 0.0000 Buried
170 N A -0.9357 Soluble
171 S A -0.7158 Soluble
172 G A -0.5570 Soluble
173 A A -0.2617 Soluble
174 L A -0.1396 Soluble
175 T A -0.2464 Soluble
176 S A -0.2711 Soluble
177 G A -0.3471 Soluble
178 V A 0.0720 Aggregation-prone
179 H A -0.3426 Soluble
180 T A -0.1780 Soluble
181 F A 0.0000 Buried
182 P A -0.2279 Soluble
183 A A 0.2758 Aggregation-prone
184 V A 0.5527 Aggregation-prone
185 L A 0.9886 Aggregation-prone
186 Q A 0.1342 Aggregation-prone
187 S A -0.1986 Soluble
188 S A -0.2383 Soluble
189 G A -0.0383 Soluble
190 L A 0.0381 Aggregation-prone
191 Y A 0.3448 Aggregation-prone
192 S A 0.2609 Aggregation-prone
193 L A 0.2065 Aggregation-prone
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 -0.1367 Soluble
199 V A 0.0000 Buried
200 P A -0.6449 Soluble
201 S A -0.9985 Soluble
202 S A -0.8292 Soluble
203 S A -0.8296 Soluble
204 L A 0.0000 Buried
205 G A -1.3015 Soluble
206 T A -1.0346 Soluble
207 K A -1.8139 Soluble
208 T A -1.6453 Soluble
209 Y A 0.0000 Buried
210 T A -1.9689 Soluble
211 C A 0.0000 Buried
212 N A -1.5809 Soluble
213 V A 0.0000 Buried
214 D A -1.9069 Soluble
215 H A 0.0000 Buried
216 K A -2.8089 Soluble
217 P A -1.6434 Soluble
218 S A -1.9100 Soluble
219 N A -2.5063 Soluble
220 T A -2.0650 Soluble
221 K A -2.7352 Soluble
222 V A -1.6948 Soluble
223 D A -2.7666 Soluble
224 K A -2.6057 Soluble
225 R A -3.0124 Soluble
226 V A 0.0000 Buried
227 E A -2.7794 Soluble
228 S A -1.6496 Soluble
1 E B -1.6296 Soluble
2 I B 0.0000 Buried
3 V B 0.6200 Aggregation-prone
4 L B 0.0000 Buried
5 T B -0.8655 Soluble
6 Q B 0.0000 Buried
7 S B -0.9240 Soluble
8 P B -0.5174 Soluble
9 G B -0.8172 Soluble
10 T B -0.3896 Soluble
11 L B -0.1565 Soluble
12 S B -0.4225 Soluble
13 L B -0.9827 Soluble
14 S B -1.6662 Soluble
15 P B -2.2032 Soluble
16 G B -2.6247 Soluble
17 E B -3.2964 Soluble
18 R B -3.2877 Soluble
19 A B 0.0000 Buried
20 T B -0.7158 Soluble
21 L B 0.0000 Buried
22 S B -1.0560 Soluble
23 C B 0.0000 Buried
24 R B -2.5728 Soluble
25 A B 0.0000 Buried
26 S B -1.0297 Soluble
27 Q B -1.6964 Soluble
28 S B -1.4285 Soluble
29 V B 0.0000 Buried
30 S B -0.4580 Soluble
36 S B -0.3143 Soluble
37 S B -0.3931 Soluble
38 Y B 0.2751 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 -1.1883 Soluble
46 P B -1.3519 Soluble
47 G B -1.4884 Soluble
48 Q B -2.0976 Soluble
49 A B -1.4852 Soluble
50 P B 0.0000 Buried
51 R B -1.1055 Soluble
52 L B 0.0000 Buried
53 L B 0.0000 Buried
54 I B 0.0000 Buried
55 Y B 0.0450 Aggregation-prone
56 G B -0.1610 Soluble
57 A B 0.0000 Buried
65 S B -0.6452 Soluble
66 S B -0.7739 Soluble
67 R B -1.7894 Soluble
68 A B -0.8919 Soluble
69 T B -0.6384 Soluble
70 G B -0.8260 Soluble
71 I B -0.9500 Soluble
72 P B -1.2641 Soluble
74 D B -2.2002 Soluble
75 R B -2.0633 Soluble
76 F B 0.0000 Buried
77 S B -0.9521 Soluble
78 G B -0.5927 Soluble
79 S B -0.7601 Soluble
80 G B -1.2655 Soluble
83 S B -0.9897 Soluble
84 G B -1.3498 Soluble
85 T B -1.8892 Soluble
86 D B -2.8759 Soluble
87 F B 0.0000 Buried
88 T B -0.9572 Soluble
89 L B 0.0000 Buried
90 T B -0.8014 Soluble
91 I B 0.0000 Buried
92 S B -2.5505 Soluble
93 R B -3.4526 Soluble
94 L B 0.0000 Buried
95 E B -2.3195 Soluble
96 P B -1.4638 Soluble
97 E B -1.9669 Soluble
98 D B 0.0000 Buried
99 F B -0.5241 Soluble
100 A B 0.0000 Buried
101 V B -0.1366 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 -0.1692 Soluble
109 S B -0.7408 Soluble
114 S B -0.5936 Soluble
115 P B -0.4721 Soluble
116 C B 0.0000 Buried
117 T B -0.2435 Soluble
118 F B -0.0265 Soluble
119 G B 0.0000 Buried
120 Q B -1.4664 Soluble
121 G B -1.0276 Soluble
122 T B 0.0000 Buried
123 R B -0.4236 Soluble
124 L B 0.0000 Buried
125 E B 0.0000 Buried
126 I B -0.7131 Soluble
127 K B -1.0921 Soluble
128 R B -0.7967 Soluble
129 T B 0.2615 Aggregation-prone
130 V B 1.2946 Aggregation-prone
131 A B 0.6637 Aggregation-prone
132 A B 0.3661 Aggregation-prone
133 P B 0.1415 Aggregation-prone
134 S B -0.1248 Soluble
135 V B 0.0000 Buried
136 F B -0.0153 Soluble
137 I B 0.0000 Buried
138 F B 0.0000 Buried
139 P B -0.3920 Soluble
140 P B -0.7935 Soluble
141 S B -1.6265 Soluble
142 D B -2.9740 Soluble
143 E B -2.9997 Soluble
144 Q B 0.0000 Buried
145 L B -2.3917 Soluble
146 K B -2.8361 Soluble
147 S B -1.8040 Soluble
148 G B -1.4943 Soluble
149 T B -1.2554 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 -0.6084 Soluble
159 F B 0.0000 Buried
160 Y B 0.0000 Buried
161 P B -1.0678 Soluble
162 R B -2.2841 Soluble
163 E B -2.8590 Soluble
164 A B -2.1381 Soluble
165 K B -2.5221 Soluble
166 V B 0.0000 Buried
167 Q B -0.8836 Soluble
168 W B 0.0000 Buried
169 K B -0.3615 Soluble
170 V B 0.0000 Buried
171 D B -1.4449 Soluble
172 N B -1.2778 Soluble
173 A B -0.0446 Soluble
174 L B 0.7740 Aggregation-prone
175 Q B -0.0598 Soluble
176 S B -0.5024 Soluble
177 G B -0.9000 Soluble
178 N B -0.8225 Soluble
179 S B -1.1257 Soluble
180 Q B -1.3525 Soluble
181 E B -1.3029 Soluble
182 S B -0.5031 Soluble
183 V B -0.6812 Soluble
184 T B -1.1660 Soluble
185 E B -2.2453 Soluble
186 Q B -1.8163 Soluble
187 D B -1.9387 Soluble
188 S B -1.8973 Soluble
189 K B -2.2595 Soluble
190 D B -1.6840 Soluble
191 S B -1.6277 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 -0.5504 Soluble
199 L B 0.0000 Buried
200 T B -0.4715 Soluble
201 L B -0.6648 Soluble
202 S B -1.1029 Soluble
203 K B -2.0661 Soluble
204 A B -1.8986 Soluble
205 D B -2.7205 Soluble
206 Y B 0.0000 Buried
207 E B -3.4109 Soluble
208 K B -3.5033 Soluble
209 H B -3.0099 Soluble
210 K B -3.0476 Soluble
211 V B -1.2534 Soluble
212 Y B 0.0000 Buried
213 A B 0.0000 Buried
214 C B 0.0000 Buried
215 E B -0.7709 Soluble
216 V B 0.0000 Buried
217 T B -1.0961 Soluble
218 Q B -0.9885 Soluble
219 G B -1.0464 Soluble
220 T B -0.4282 Soluble
221 T B -0.1339 Soluble
222 S B -0.2000 Soluble
223 V B 0.5992 Aggregation-prone
224 T B -0.1878 Soluble
225 K B -0.5619 Soluble
226 S B -0.5180 Soluble
227 F B 0.0000 Buried
228 N B -1.9640 Soluble
229 R B -2.6595 Soluble
230 G B -2.2559 Soluble
231 E B -2.5609 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 -0.7232 3.324 CSV PDB
4.5 -0.7722 3.209 CSV PDB
5.0 -0.8316 3.0733 CSV PDB
5.5 -0.8912 2.9307 CSV PDB
6.0 -0.9397 2.8028 CSV PDB
6.5 -0.9671 2.6742 CSV PDB
7.0 -0.9718 2.5461 CSV PDB
7.5 -0.9602 2.4204 CSV PDB
8.0 -0.939 2.3014 CSV PDB
8.5 -0.9106 2.1991 CSV PDB
9.0 -0.8754 2.125 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH