Briakinumab / 5njd

A4DAB055_5njd_R_Q | Source PDB: 5njd | Chains: R, Q | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6767
Max Score
1.475
Min Score
-3.1596
Total Score
-284.89
Score CDR
-0.6827
Score non-CDR
-0.6759

Calculation Parameters

Chain Sequence(s) QVQLVESGGGVVQPGRSLRLSCAASGFTFSSYGMHWVRQAPGKGLEWVAFIRYDGSNKYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCKTHGSHDNWGQGTMVTVSSASTKGPSVFPLAPSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVESVLTQPPSVSGAPGQRVTISCSGSRSNIGSNTVKWYQQLPGTAPKLLIYYNDQRPSGVPDRFSGSKSGTSASLAITGLQAEDEADYYCQSYDRYTHPALLFGTGTKVTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPT input.pdb
Selected Chain(s) R (Heavy), Q (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 -3.1596
Maximum Score 1.475
Average Score -0.6767
Total Score -284.8866

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

Index Residue Chain A4D Score Classification
1 Q R -1.2699 Soluble
2 V R -0.7106 Soluble
3 Q R -1.0214 Soluble
4 L R 0.0000 Buried
5 V R 0.8456 Aggregation-prone
6 E R 0.0000 Buried
7 S R -0.3944 Soluble
8 G R -0.8352 Soluble
9 G R -0.4521 Soluble
11 G R -0.1527 Soluble
12 V R 0.2556 Aggregation-prone
13 V R -0.6933 Soluble
14 Q R -1.6976 Soluble
15 P R -2.0351 Soluble
16 G R -2.1103 Soluble
17 R R -2.6362 Soluble
18 S R -1.8900 Soluble
19 L R -1.4641 Soluble
20 R R -2.2223 Soluble
21 L R 0.0000 Buried
22 S R -0.4507 Soluble
23 C R 0.0000 Buried
24 A R -0.0497 Soluble
25 A R 0.0000 Buried
26 S R -0.7519 Soluble
27 G R -0.7875 Soluble
28 F R 0.0511 Aggregation-prone
29 T R 0.0646 Aggregation-prone
30 F R 0.0000 Buried
35 S R -0.6258 Soluble
36 S R 0.1729 Aggregation-prone
37 Y R 0.7815 Aggregation-prone
38 G R 0.0288 Aggregation-prone
39 M R 0.0000 Buried
40 H R 0.0000 Buried
41 W R 0.0000 Buried
42 V R 0.0000 Buried
43 R R 0.0000 Buried
44 Q R 0.0000 Buried
45 A R -1.1407 Soluble
46 P R -0.9596 Soluble
47 G R -1.4931 Soluble
48 K R -2.2487 Soluble
49 G R -1.5087 Soluble
50 L R 0.0000 Buried
51 E R -1.1068 Soluble
52 W R -0.4070 Soluble
53 V R 0.0000 Buried
54 A R 0.0000 Buried
55 F R 0.0000 Buried
56 I R 0.0000 Buried
57 R R -1.1827 Soluble
58 Y R -0.2775 Soluble
59 D R -1.8921 Soluble
62 G R -1.7239 Soluble
63 S R -1.4692 Soluble
64 N R -1.7605 Soluble
65 K R -1.8336 Soluble
66 Y R -0.8682 Soluble
67 Y R -0.8499 Soluble
68 A R -1.3445 Soluble
69 D R -2.4487 Soluble
70 S R -1.7380 Soluble
71 V R 0.0000 Buried
72 K R -2.5002 Soluble
74 G R -1.5966 Soluble
75 R R 0.0000 Buried
76 F R 0.0000 Buried
77 T R -1.0306 Soluble
78 I R 0.0000 Buried
79 S R -0.6920 Soluble
80 R R -1.1357 Soluble
81 D R -1.7153 Soluble
82 N R -1.7749 Soluble
83 S R -1.5741 Soluble
84 K R -2.3835 Soluble
85 N R -1.7805 Soluble
86 T R -0.9441 Soluble
87 L R 0.0000 Buried
88 Y R -0.6737 Soluble
89 L R 0.0000 Buried
90 Q R -1.5989 Soluble
91 M R 0.0000 Buried
92 N R -1.6762 Soluble
93 S R -1.6636 Soluble
94 L R 0.0000 Buried
95 R R -2.4322 Soluble
96 A R -1.7028 Soluble
97 E R -2.2445 Soluble
98 D R 0.0000 Buried
99 T R -0.7058 Soluble
100 A R 0.0000 Buried
101 V R 0.1637 Aggregation-prone
102 Y R 0.0000 Buried
103 Y R 0.0000 Buried
104 C R 0.0000 Buried
105 K R 0.0000 Buried
106 T R -0.3667 Soluble
107 H R -0.4955 Soluble
108 G R -0.6604 Soluble
114 S R -0.6407 Soluble
115 H R -1.2834 Soluble
116 D R 0.0000 Buried
117 N R -1.0907 Soluble
118 W R -0.5257 Soluble
119 G R 0.0000 Buried
120 Q R -0.9428 Soluble
121 G R -0.3108 Soluble
122 T R -0.0932 Soluble
123 M R 0.0078 Aggregation-prone
124 V R 0.0000 Buried
125 T R -0.3235 Soluble
126 V R 0.0000 Buried
127 S R -0.7617 Soluble
128 S R -0.5893 Soluble
129 A R -0.3312 Soluble
130 S R -0.4686 Soluble
131 T R -0.5846 Soluble
132 K R -1.0453 Soluble
133 G R -1.3815 Soluble
134 P R -0.6501 Soluble
135 S R -0.3493 Soluble
136 V R 0.0000 Buried
137 F R 0.0000 Buried
138 P R -0.9983 Soluble
139 L R 0.0000 Buried
140 A R -0.8315 Soluble
141 P R -0.4253 Soluble
142 S R -0.2244 Soluble
143 G R -0.6289 Soluble
144 T R -0.4238 Soluble
145 A R -0.2426 Soluble
146 A R -0.0454 Soluble
147 L R 0.0000 Buried
148 G R 0.0000 Buried
149 C R 0.0000 Buried
150 L R 0.0000 Buried
151 V R 0.0000 Buried
152 K R -0.3473 Soluble
153 D R -0.4253 Soluble
154 Y R 0.0000 Buried
155 F R -0.1647 Soluble
156 P R 0.0000 Buried
157 E R -0.6975 Soluble
158 P R -0.7795 Soluble
159 V R -0.5046 Soluble
160 T R -0.6719 Soluble
161 V R -0.3759 Soluble
162 S R -0.4161 Soluble
163 W R 0.0000 Buried
164 N R -0.6751 Soluble
165 S R -0.5930 Soluble
166 G R -0.4287 Soluble
167 A R -0.1766 Soluble
168 L R 0.0842 Aggregation-prone
169 T R -0.1493 Soluble
170 S R -0.2216 Soluble
171 G R -0.2341 Soluble
172 V R -0.0830 Soluble
173 H R -0.6257 Soluble
174 T R -0.3246 Soluble
175 F R 0.0000 Buried
176 P R -0.0787 Soluble
177 A R 0.2895 Aggregation-prone
178 V R 0.0000 Buried
179 L R 1.3848 Aggregation-prone
180 Q R 0.4124 Aggregation-prone
181 S R -0.0253 Soluble
182 S R -0.1640 Soluble
183 G R 0.1231 Aggregation-prone
184 L R 0.2648 Aggregation-prone
185 Y R 0.4584 Aggregation-prone
186 S R 0.0000 Buried
187 L R 0.0000 Buried
188 S R 0.0000 Buried
189 S R 0.0000 Buried
190 V R 0.0000 Buried
191 V R 0.0000 Buried
192 T R -0.2317 Soluble
193 V R 0.0000 Buried
194 P R -0.3938 Soluble
195 S R -0.4235 Soluble
196 S R -0.3836 Soluble
197 S R -0.4610 Soluble
198 L R -0.4087 Soluble
199 G R -0.8715 Soluble
200 T R -0.7623 Soluble
201 Q R -1.4037 Soluble
202 T R -1.1529 Soluble
203 Y R -0.8932 Soluble
204 I R -1.1750 Soluble
205 C R 0.0000 Buried
206 N R -1.4309 Soluble
207 V R 0.0000 Buried
208 N R -2.2886 Soluble
209 H R 0.0000 Buried
210 K R -2.8778 Soluble
211 P R -1.5534 Soluble
212 S R -1.7794 Soluble
213 N R -2.6737 Soluble
214 T R -2.2158 Soluble
215 K R -2.7702 Soluble
216 V R -1.5325 Soluble
217 D R -2.2370 Soluble
218 K R -1.8037 Soluble
219 K R -2.4107 Soluble
220 V R 0.0000 Buried
221 E R -2.2876 Soluble
2 S Q 0.6154 Aggregation-prone
3 V Q 1.4750 Aggregation-prone
4 L Q 0.0000 Buried
5 T Q 0.1745 Aggregation-prone
6 Q Q 0.0000 Buried
7 P Q -0.3708 Soluble
8 P Q -0.5836 Soluble
9 S Q -0.5683 Soluble
11 V Q -0.1556 Soluble
12 S Q -0.3246 Soluble
13 G Q 0.0000 Buried
14 A Q -0.6928 Soluble
15 P Q -1.1721 Soluble
16 G Q -1.4772 Soluble
17 Q Q -1.9666 Soluble
18 R Q -2.4260 Soluble
19 V Q 0.0000 Buried
20 T Q -0.5138 Soluble
21 I Q 0.0000 Buried
22 S Q -0.3131 Soluble
23 C Q 0.0000 Buried
24 S Q -0.2507 Soluble
25 G Q -0.5704 Soluble
26 S Q -1.3937 Soluble
27 R Q -2.5642 Soluble
28 S Q -1.6079 Soluble
29 N Q 0.0000 Buried
30 I Q 0.0000 Buried
35 G Q -1.8993 Soluble
36 S Q -1.4491 Soluble
37 N Q -1.0682 Soluble
38 T Q -0.1849 Soluble
39 V Q 0.0000 Buried
40 K Q 0.0000 Buried
41 W Q 0.0000 Buried
42 Y Q 0.0000 Buried
43 Q Q 0.0000 Buried
44 Q Q -0.4956 Soluble
45 L Q -0.2760 Soluble
46 P Q -0.5233 Soluble
47 G Q -0.5513 Soluble
48 T Q -0.6102 Soluble
49 A Q -0.6875 Soluble
50 P Q 0.0000 Buried
51 K Q -1.0912 Soluble
52 L Q -0.7887 Soluble
53 L Q 0.0000 Buried
54 I Q 0.0000 Buried
55 Y Q 0.0000 Buried
56 Y Q 0.1570 Aggregation-prone
57 N Q -1.0812 Soluble
65 D Q -2.3360 Soluble
66 Q Q -1.9183 Soluble
67 R Q -1.9967 Soluble
68 P Q -1.3702 Soluble
69 S Q -0.8976 Soluble
70 G Q -0.8475 Soluble
71 V Q -0.9632 Soluble
72 P Q -1.3127 Soluble
74 D Q -2.2292 Soluble
75 R Q -1.4947 Soluble
76 F Q 0.0000 Buried
77 S Q -1.4223 Soluble
78 G Q -1.2244 Soluble
79 S Q -1.0974 Soluble
80 K Q -1.0786 Soluble
83 S Q -0.8116 Soluble
84 G Q -1.2050 Soluble
85 T Q -1.2502 Soluble
86 S Q -0.8586 Soluble
87 A Q 0.0000 Buried
88 S Q -0.6136 Soluble
89 L Q 0.0000 Buried
90 A Q -0.5992 Soluble
91 I Q 0.0000 Buried
92 T Q -1.5800 Soluble
93 G Q -1.4377 Soluble
94 L Q 0.0000 Buried
95 Q Q -1.7043 Soluble
96 A Q -1.3991 Soluble
97 E Q -2.1529 Soluble
98 D Q 0.0000 Buried
99 E Q 0.0000 Buried
100 A Q 0.0000 Buried
101 D Q -0.7146 Soluble
102 Y Q 0.0000 Buried
103 Y Q 0.0000 Buried
104 C Q 0.0000 Buried
105 Q Q 0.0000 Buried
106 S Q 0.0000 Buried
107 Y Q -0.3901 Soluble
108 D Q -1.1262 Soluble
109 R Q -1.9778 Soluble
110 Y Q 0.0036 Aggregation-prone
112 T Q -0.4314 Soluble
113 H Q -1.1410 Soluble
114 P Q 0.0000 Buried
115 A Q 0.0000 Buried
116 L Q 0.0000 Buried
117 L Q 0.0000 Buried
118 F Q 0.0000 Buried
119 G Q 0.0000 Buried
120 T Q -0.1735 Soluble
121 G Q 0.0000 Buried
122 T Q 0.0000 Buried
123 K Q -0.9236 Soluble
124 V Q 0.0000 Buried
125 T Q -0.0747 Soluble
126 V Q 0.0000 Buried
127 L Q 0.3264 Aggregation-prone
128 G Q -0.5007 Soluble
129 Q Q -0.7951 Soluble
130 P Q -1.1611 Soluble
131 K Q -2.0986 Soluble
132 A Q -1.2575 Soluble
133 A Q -0.7586 Soluble
134 P Q 0.0000 Buried
135 S Q -0.3935 Soluble
136 V Q 0.0000 Buried
137 T Q -0.4061 Soluble
138 L Q -0.2925 Soluble
139 F Q 0.0000 Buried
140 P Q -0.0769 Soluble
141 P Q 0.0000 Buried
142 S Q -0.8047 Soluble
143 S Q -1.1049 Soluble
144 E Q -2.0383 Soluble
145 E Q 0.0000 Buried
146 L Q -1.8369 Soluble
147 Q Q -2.1573 Soluble
148 A Q -1.6920 Soluble
149 N Q -2.4540 Soluble
150 K Q -2.1721 Soluble
151 A Q 0.0000 Buried
152 T Q 0.0000 Buried
153 L Q 0.0000 Buried
154 V Q 0.0000 Buried
155 C Q 0.0000 Buried
156 L Q 0.0000 Buried
157 I Q 0.0000 Buried
158 S Q 0.0000 Buried
159 D Q -1.2976 Soluble
160 F Q 0.0000 Buried
161 Y Q -0.9584 Soluble
162 P Q -0.8268 Soluble
163 G Q -0.2588 Soluble
164 A Q -0.1325 Soluble
165 V Q -0.0533 Soluble
166 T Q 0.0236 Aggregation-prone
167 V Q 0.2088 Aggregation-prone
168 A Q -0.4093 Soluble
169 W Q 0.0000 Buried
170 K Q -1.1295 Soluble
171 A Q -1.4295 Soluble
172 D Q -1.7399 Soluble
173 S Q -0.9306 Soluble
174 S Q -0.9430 Soluble
175 P Q -1.0534 Soluble
176 V Q -0.9696 Soluble
177 K Q -1.6357 Soluble
178 A Q -0.7171 Soluble
179 G Q -0.3624 Soluble
180 V Q -0.0230 Soluble
181 E Q 0.0708 Aggregation-prone
182 T Q 0.1682 Aggregation-prone
183 T Q 0.1396 Aggregation-prone
184 T Q 0.0383 Aggregation-prone
185 P Q -0.2561 Soluble
186 S Q -0.5182 Soluble
187 K Q -1.1567 Soluble
188 Q Q -1.4284 Soluble
189 S Q -1.1874 Soluble
190 N Q -1.8638 Soluble
191 N Q -1.6268 Soluble
192 K Q -1.3872 Soluble
193 Y Q -0.8126 Soluble
194 A Q 0.0000 Buried
195 A Q 0.0000 Buried
196 S Q 0.0000 Buried
197 S Q 0.0000 Buried
198 Y Q 0.0000 Buried
199 L Q 0.0000 Buried
200 S Q -0.2997 Soluble
201 L Q 0.0000 Buried
202 T Q -1.6022 Soluble
203 P Q -2.2811 Soluble
204 E Q -3.0200 Soluble
205 Q Q -2.2874 Soluble
206 W Q 0.0000 Buried
207 K Q -3.1596 Soluble
208 S Q -2.4054 Soluble
209 H Q -2.5526 Soluble
210 R Q -2.7579 Soluble
211 S Q -1.6824 Soluble
212 Y Q 0.0000 Buried
213 S Q -1.0847 Soluble
214 C Q 0.0000 Buried
215 Q Q -1.0643 Soluble
216 V Q 0.0000 Buried
217 T Q -0.6887 Soluble
218 H Q 0.0000 Buried
219 E Q -2.2400 Soluble
220 G Q -1.3862 Soluble
221 S Q -0.8936 Soluble
222 T Q -0.7840 Soluble
223 V Q -0.9065 Soluble
224 E Q -2.1565 Soluble
225 K Q -1.7179 Soluble
226 T Q -1.0109 Soluble
227 V Q -0.2903 Soluble
228 A Q -0.8505 Soluble
229 P Q -0.9412 Soluble
230 T Q -0.4635 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 -0.7185 1.7577 CSV PDB
4.5 -0.7541 1.7391 CSV PDB
5.0 -0.7945 1.7201 CSV PDB
5.5 -0.8314 1.7018 CSV PDB
6.0 -0.8552 1.686 CSV PDB
6.5 -0.859 1.6749 CSV PDB
7.0 -0.8444 1.6689 CSV PDB
7.5 -0.8184 1.6667 CSV PDB
8.0 -0.7863 1.6682 CSV PDB
8.5 -0.7495 1.6747 CSV PDB
9.0 -0.7077 1.701 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH