Briakinumab / 5n2k

A4DAB055_5n2k_B_A | Source PDB: 5n2k | Chains: B, A | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7058
Max Score
1.4711
Min Score
-3.2058
Total Score
-300.68
Score CDR
-0.5817
Score non-CDR
-0.7212

Calculation Parameters

Chain Sequence(s) QVQLVESGGGVVQPGRSLRLSCAASGFTFSSYGMHWVRQAPGKGLEWVAFIRYDGSNKYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYKTHGSHDNWGQGTMVTVSSASTKGPSVFPLAPSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCQSVLTQPPSVSGAPGQRVTISCSGSRSNIGSNTVKWYQQLPGTAPKLLIYYNDQRPSGVPDRFSGSKSGTSASLAITGLQAEDEADYYCQSYDRYTHPALLFGTGTKVTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTEC input.pdb
Selected Chain(s) B (Heavy), A (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 -3.2058
Maximum Score 1.4711
Average Score -0.7058
Total Score -300.6802

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

Index Residue Chain A4D Score Classification
1 Q B -1.1785 Soluble
2 V B -0.4633 Soluble
3 Q B -1.1075 Soluble
4 L B 0.0000 Buried
5 V B 0.4642 Aggregation-prone
6 E B 0.0000 Buried
7 S B -0.4401 Soluble
8 G B -0.8954 Soluble
9 G B -0.1401 Soluble
11 G B 0.7321 Aggregation-prone
12 V B 1.4711 Aggregation-prone
14 Q B -1.8016 Soluble
15 P B -2.0978 Soluble
16 G B -2.2271 Soluble
17 R B -2.8096 Soluble
18 S B -1.9667 Soluble
19 L B -1.2492 Soluble
20 R B -2.0517 Soluble
21 L B 0.0000 Buried
22 S B -0.4758 Soluble
23 C B 0.0000 Buried
24 A B -0.2345 Soluble
25 A B 0.0000 Buried
26 S B -0.5356 Soluble
27 G B -0.7412 Soluble
28 F B -0.1222 Soluble
29 T B 0.0946 Aggregation-prone
30 F B 0.0000 Buried
35 S B -0.8003 Soluble
36 S B -0.0917 Soluble
37 Y B 0.3601 Aggregation-prone
38 G B -0.4202 Soluble
39 M B 0.0000 Buried
40 H 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 -0.7936 Soluble
45 A B -1.1391 Soluble
46 P B -0.8292 Soluble
47 G B -1.5020 Soluble
48 K B -2.2168 Soluble
49 G B -1.3991 Soluble
50 L B 0.0000 Buried
51 E B -0.9408 Soluble
52 W B 0.0000 Buried
53 V B 0.0000 Buried
54 A B 0.0000 Buried
55 F B 0.0000 Buried
56 I B 0.0000 Buried
57 R B -1.6247 Soluble
58 Y B -0.4871 Soluble
59 D B -1.8355 Soluble
62 G B -1.8303 Soluble
63 S B -1.5957 Soluble
64 N B -2.0760 Soluble
65 K B -1.5462 Soluble
66 Y B -0.8057 Soluble
67 Y B -0.8380 Soluble
68 A B -1.4718 Soluble
69 D B -2.6040 Soluble
70 S B -1.7881 Soluble
71 V B 0.0000 Buried
72 K B -2.5296 Soluble
74 G B -1.7216 Soluble
75 R B -1.4234 Soluble
76 F B 0.0000 Buried
77 T B -0.9038 Soluble
78 I B 0.0000 Buried
79 S B -0.9918 Soluble
80 R B -1.3723 Soluble
81 D B -2.1344 Soluble
82 N B -1.9734 Soluble
83 S B -1.6997 Soluble
84 K B -2.4993 Soluble
85 N B -1.7987 Soluble
86 T B 0.0000 Buried
87 L B 0.0000 Buried
88 Y B -0.6578 Soluble
89 L B 0.0000 Buried
90 Q B -1.2295 Soluble
91 M B 0.0000 Buried
92 N B -1.8544 Soluble
93 S B -1.7796 Soluble
94 L B 0.0000 Buried
95 R B -2.5043 Soluble
96 A B -1.8353 Soluble
97 E B -2.2585 Soluble
98 D B 0.0000 Buried
99 T B -0.5555 Soluble
100 A B 0.0000 Buried
101 V B 0.2155 Aggregation-prone
102 Y B 0.0000 Buried
103 Y B 0.0000 Buried
105 K B 0.0000 Buried
106 T B 0.0000 Buried
107 H B -0.4496 Soluble
108 G B -0.5742 Soluble
114 S B -0.4924 Soluble
115 H B -1.2585 Soluble
116 D B 0.0000 Buried
117 N B -1.0098 Soluble
118 W B -0.5755 Soluble
119 G B 0.0000 Buried
120 Q B -1.0384 Soluble
121 G B 0.0000 Buried
122 T B 0.0531 Aggregation-prone
123 M B 0.6235 Aggregation-prone
124 V B 0.0000 Buried
125 T B 0.1543 Aggregation-prone
126 V B 0.0000 Buried
127 S B -0.8009 Soluble
128 S B -0.7148 Soluble
129 A B -0.4472 Soluble
130 S B -0.4160 Soluble
131 T B -0.5605 Soluble
132 K B -1.0166 Soluble
133 G B -1.3094 Soluble
134 P B 0.0000 Buried
135 S B -0.2933 Soluble
136 V B 0.0000 Buried
137 F B 0.0000 Buried
138 P B -0.9943 Soluble
139 L B 0.0000 Buried
140 A B -0.9242 Soluble
141 P B 0.0000 Buried
142 S B -0.5473 Soluble
143 G B -0.6666 Soluble
144 T B -0.4609 Soluble
145 A B -0.2995 Soluble
146 A B -0.0543 Soluble
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 -0.2727 Soluble
153 D B -0.2946 Soluble
154 Y B 0.0000 Buried
155 F B -0.1180 Soluble
156 P B -0.6805 Soluble
157 E B -0.8740 Soluble
158 P B -0.9368 Soluble
159 V B -0.7456 Soluble
160 T B -0.6567 Soluble
161 V B -0.3658 Soluble
162 S B -0.3558 Soluble
163 W B 0.0000 Buried
164 N B -0.7896 Soluble
165 S B -0.6312 Soluble
166 G B -0.3671 Soluble
167 A B -0.1852 Soluble
168 L B -0.0149 Soluble
169 T B -0.1930 Soluble
170 S B -0.2933 Soluble
171 G B -0.3673 Soluble
172 V B 0.1468 Aggregation-prone
173 H B -0.1759 Soluble
174 T B -0.0561 Soluble
175 F B 0.0000 Buried
176 P B -0.1604 Soluble
177 A B 0.1549 Aggregation-prone
178 V B 0.0000 Buried
179 L B 1.0847 Aggregation-prone
180 Q B 0.2775 Aggregation-prone
181 S B -0.4431 Soluble
182 S B -0.1520 Soluble
183 G B 0.1674 Aggregation-prone
184 L B 0.1864 Aggregation-prone
185 Y B 0.3602 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 0.1371 Aggregation-prone
191 V B 0.0000 Buried
192 T B -0.2104 Soluble
193 V B 0.0000 Buried
194 P B -0.5059 Soluble
195 S B -0.5872 Soluble
196 S B -0.6553 Soluble
197 S B -0.7146 Soluble
198 L B -0.8513 Soluble
199 G B -1.0424 Soluble
200 T B -0.7845 Soluble
201 Q B -1.3250 Soluble
202 T B -1.1902 Soluble
203 Y B 0.0000 Buried
204 I B -1.3630 Soluble
205 C B 0.0000 Buried
206 N B -1.5085 Soluble
207 V B 0.0000 Buried
208 N B -2.1133 Soluble
209 H B 0.0000 Buried
210 K B -2.8372 Soluble
211 P B -1.6420 Soluble
212 S B -1.8031 Soluble
213 N B -2.5712 Soluble
214 T B -2.1081 Soluble
215 K B -2.7707 Soluble
216 V B -1.8094 Soluble
217 D B -2.5953 Soluble
218 K B -2.2533 Soluble
219 K B -2.5093 Soluble
220 V B 0.0000 Buried
221 E B -2.6150 Soluble
222 P B -1.2833 Soluble
223 K B -1.1312 Soluble
224 S B -0.4460 Soluble
225 C B 0.4526 Aggregation-prone
1 Q A -1.0222 Soluble
2 S A 0.2277 Aggregation-prone
3 V A 1.4165 Aggregation-prone
4 L A 0.0000 Buried
5 T A 0.2598 Aggregation-prone
6 Q A 0.0000 Buried
7 P A -0.3102 Soluble
8 P A -0.6220 Soluble
9 S A -0.5829 Soluble
11 V A -0.3061 Soluble
12 S A -0.8098 Soluble
13 G A 0.0000 Buried
14 A A -1.0769 Soluble
15 P A -1.5817 Soluble
16 G A -1.8072 Soluble
17 Q A -2.5039 Soluble
18 R A -2.6644 Soluble
19 V A 0.0000 Buried
20 T A -0.5107 Soluble
21 I A 0.0000 Buried
22 S A -0.3312 Soluble
23 C A 0.0000 Buried
24 S A -0.1716 Soluble
25 G A -0.3865 Soluble
26 S A -1.0492 Soluble
27 R A -2.4089 Soluble
28 S A -1.4448 Soluble
29 N A 0.0000 Buried
30 I A 0.0000 Buried
35 G A -1.6702 Soluble
36 S A -0.9294 Soluble
37 N A -0.4854 Soluble
38 T A 0.0364 Aggregation-prone
39 V A 0.0000 Buried
40 K A 0.0000 Buried
41 W A 0.0000 Buried
42 Y A 0.0000 Buried
43 Q A -0.6431 Soluble
44 Q A 0.0000 Buried
45 L A -0.2342 Soluble
46 P A -0.3632 Soluble
47 G A -0.6037 Soluble
48 T A -0.5648 Soluble
49 A A 0.0000 Buried
50 P A 0.0000 Buried
51 K A -1.0363 Soluble
52 L A -0.6969 Soluble
53 L A 0.0000 Buried
54 I A 0.0000 Buried
55 Y A -0.2798 Soluble
56 Y A 0.4060 Aggregation-prone
57 N A -0.8017 Soluble
65 D A -1.8568 Soluble
66 Q A -1.5776 Soluble
67 R A -1.6508 Soluble
68 P A -1.1296 Soluble
69 S A -0.7281 Soluble
70 G A -0.8207 Soluble
71 V A -0.9537 Soluble
72 P A -1.2469 Soluble
74 D A -2.2284 Soluble
75 R A -1.5845 Soluble
76 F A 0.0000 Buried
77 S A -1.3619 Soluble
78 G A -1.0984 Soluble
79 S A -1.0212 Soluble
80 K A -1.0382 Soluble
83 S A -0.7982 Soluble
84 G A -1.1886 Soluble
85 T A -1.2488 Soluble
86 S A -0.8823 Soluble
87 A A 0.0000 Buried
88 S A -0.6317 Soluble
89 L A 0.0000 Buried
90 A A -0.6184 Soluble
91 I A 0.0000 Buried
92 T A -1.8176 Soluble
93 G A -1.7119 Soluble
94 L A 0.0000 Buried
95 Q A -1.8400 Soluble
96 A A -1.5317 Soluble
97 E A -2.1775 Soluble
98 D A 0.0000 Buried
99 E A -1.4093 Soluble
100 A A 0.0000 Buried
101 D A -0.9270 Soluble
102 Y A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 Q A 0.0000 Buried
106 S A 0.0000 Buried
107 Y A -0.1722 Soluble
108 D A 0.0000 Buried
109 R A -1.5607 Soluble
110 Y A 0.2542 Aggregation-prone
112 T A -0.0501 Soluble
113 H A -0.4600 Soluble
114 P A 0.0000 Buried
115 A A -0.0891 Soluble
116 L A 0.0000 Buried
117 L A 0.3939 Aggregation-prone
118 F A 0.4026 Aggregation-prone
119 G A 0.0000 Buried
120 T A -0.1372 Soluble
121 G A -0.7083 Soluble
122 T A 0.0000 Buried
123 K A -0.8843 Soluble
124 V A 0.0000 Buried
125 T A 0.0000 Buried
126 V A 0.0000 Buried
127 L A -0.7484 Soluble
128 G A -0.7759 Soluble
129 Q A -1.1467 Soluble
130 P A -1.2551 Soluble
131 K A -2.1823 Soluble
132 A A -1.3487 Soluble
133 A A -0.7780 Soluble
134 P A 0.0000 Buried
135 S A -0.6375 Soluble
136 V A 0.0000 Buried
137 T A -0.3976 Soluble
138 L A -0.3320 Soluble
139 F A 0.0000 Buried
140 P A -0.2131 Soluble
141 P A 0.0000 Buried
142 S A 0.0000 Buried
143 S A -1.4704 Soluble
144 E A -2.2780 Soluble
145 E A 0.0000 Buried
146 L A -2.1440 Soluble
147 Q A -2.3768 Soluble
148 A A -1.9855 Soluble
149 N A -2.8393 Soluble
150 K A -2.9406 Soluble
151 A A 0.0000 Buried
152 T A 0.0000 Buried
153 L A 0.0000 Buried
154 V A 0.0000 Buried
155 C A 0.0000 Buried
156 L A 0.0000 Buried
157 I A 0.0000 Buried
158 S A -0.7825 Soluble
159 D A -1.5659 Soluble
160 F A 0.0000 Buried
161 Y A 0.0000 Buried
162 P A 0.0000 Buried
163 G A -1.0190 Soluble
164 A A -0.2884 Soluble
165 V A -0.1311 Soluble
166 T A -0.1352 Soluble
167 V A 0.0922 Aggregation-prone
168 A A -0.3577 Soluble
169 W A 0.0000 Buried
170 K A -0.9603 Soluble
171 A A 0.0000 Buried
172 D A -1.1621 Soluble
173 S A -0.8101 Soluble
174 S A -0.7028 Soluble
175 P A -0.8091 Soluble
176 V A -0.7727 Soluble
177 K A -1.5629 Soluble
178 A A -0.7529 Soluble
179 G A -0.4569 Soluble
180 V A -0.1603 Soluble
181 E A -0.1304 Soluble
182 T A 0.0367 Aggregation-prone
183 T A -0.0551 Soluble
184 T A -0.4611 Soluble
185 P A -0.5557 Soluble
186 S A -1.1883 Soluble
187 K A -2.5986 Soluble
188 Q A -2.1504 Soluble
189 S A -1.6854 Soluble
190 N A -2.3375 Soluble
191 N A -2.7403 Soluble
192 K A -2.3972 Soluble
193 Y A -1.5611 Soluble
194 A A 0.0000 Buried
195 A A 0.0000 Buried
196 S A 0.0000 Buried
197 S A 0.0000 Buried
198 Y A 0.0000 Buried
199 L A 0.0000 Buried
200 S A -0.5977 Soluble
201 L A 0.0000 Buried
202 T A -1.9851 Soluble
203 P A -2.5923 Soluble
204 E A -3.2058 Soluble
205 Q A -2.4926 Soluble
206 W A 0.0000 Buried
207 K A -3.1418 Soluble
208 S A -2.3898 Soluble
209 H A -2.3702 Soluble
210 R A -2.5667 Soluble
211 S A -1.4627 Soluble
212 Y A 0.0000 Buried
213 S A 0.0000 Buried
214 C A 0.0000 Buried
215 Q A -1.0382 Soluble
216 V A 0.0000 Buried
217 T A -0.6755 Soluble
218 H A 0.0000 Buried
219 E A -2.1869 Soluble
220 G A -1.3763 Soluble
221 S A -0.9982 Soluble
222 T A -0.7341 Soluble
223 V A -0.7563 Soluble
224 E A -2.1527 Soluble
225 K A -1.8736 Soluble
226 T A -1.0083 Soluble
227 V A -0.6639 Soluble
228 A A -1.2537 Soluble
229 P A -1.4357 Soluble
230 T A -1.2549 Soluble
231 E A -1.5128 Soluble
232 C A -0.2778 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 -0.7264 2.1732 CSV PDB
4.5 -0.7633 2.145 CSV PDB
5.0 -0.8061 2.1089 CSV PDB
5.5 -0.846 2.0697 CSV PDB
6.0 -0.8734 2.0311 CSV PDB
6.5 -0.8804 1.9959 CSV PDB
7.0 -0.8668 1.9654 CSV PDB
7.5 -0.8389 1.9387 CSV PDB
8.0 -0.8027 1.9141 CSV PDB
8.5 -0.7607 1.8919 CSV PDB
9.0 -0.7135 1.8739 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH