Briakinumab / 5njd

A4DAB055_5njd_N_M | Source PDB: 5njd | Chains: N, M | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6598
Max Score
1.5171
Min Score
-3.1922
Total Score
-277.11
Score CDR
-0.6008
Score non-CDR
-0.6672

Calculation Parameters

Chain Sequence(s) QVQLVESGGGVVQPGRSLRLSCAASGFTFSSYGMHWVRQAPGKGLEWVAFIRYDGSNKYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCKTHGSHDNWGQGTMVTVSSASTKGPSVFPLAPSTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVESVLTQPPSVSGAPGQRVTISCSGSRSNIGSNTVKWYQQLPGTAPKLLIYYNDQRPSGVPDRFSGSKSGTSASLAITGLQAEDEADYYCQSYDRYTHPALLFGTGTKVTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPT input.pdb
Selected Chain(s) N (Heavy), M (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 -3.1922
Maximum Score 1.5171
Average Score -0.6598
Total Score -277.1125

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

Index Residue Chain A4D Score Classification
1 Q N -1.1299 Soluble
2 V N -0.4766 Soluble
3 Q N -1.1913 Soluble
4 L N 0.0000 Buried
5 V N 0.2113 Aggregation-prone
6 E N 0.0000 Buried
7 S N -0.5502 Soluble
8 G N -0.9331 Soluble
9 G N -0.4218 Soluble
11 G N -0.1561 Soluble
12 V N 0.2709 Aggregation-prone
13 V N -0.5926 Soluble
14 Q N -1.5365 Soluble
15 P N -1.9534 Soluble
16 G N -2.0914 Soluble
17 R N -2.6507 Soluble
18 S N -2.0128 Soluble
19 L N -1.3815 Soluble
20 R N -2.0629 Soluble
21 L N 0.0000 Buried
22 S N -0.5002 Soluble
23 C N 0.0000 Buried
24 A N -0.2881 Soluble
25 A N 0.0000 Buried
26 S N -0.5007 Soluble
27 G N -0.5672 Soluble
28 F N 0.1977 Aggregation-prone
29 T N 0.1317 Aggregation-prone
30 F N 0.0000 Buried
35 S N -0.4678 Soluble
36 S N 0.3818 Aggregation-prone
37 Y N 1.2000 Aggregation-prone
38 G N 0.3608 Aggregation-prone
39 M N 0.0000 Buried
40 H N 0.0000 Buried
41 W N 0.0000 Buried
42 V N 0.0000 Buried
43 R N 0.0000 Buried
44 Q N 0.0000 Buried
45 A N -1.0937 Soluble
46 P N -0.9461 Soluble
47 G N -1.4792 Soluble
48 K N -2.2080 Soluble
49 G N -1.4262 Soluble
50 L N 0.0000 Buried
51 E N -0.9415 Soluble
52 W N 0.0000 Buried
53 V N 0.0000 Buried
54 A N 0.0000 Buried
55 F N 0.0000 Buried
56 I N 0.0000 Buried
57 R N -0.8496 Soluble
58 Y N 0.2264 Aggregation-prone
59 D N -1.7428 Soluble
62 G N -1.5927 Soluble
63 S N -1.4478 Soluble
64 N N -1.7284 Soluble
65 K N -1.4856 Soluble
66 Y N -0.7698 Soluble
67 Y N -0.8063 Soluble
68 A N -1.3686 Soluble
69 D N -2.4589 Soluble
70 S N -1.6787 Soluble
71 V N 0.0000 Buried
72 K N -2.5632 Soluble
74 G N -1.7248 Soluble
75 R N -1.5752 Soluble
76 F N 0.0000 Buried
77 T N -0.8780 Soluble
78 I N 0.0000 Buried
79 S N -0.5825 Soluble
80 R N -1.1717 Soluble
81 D N -1.9359 Soluble
82 N N -1.8968 Soluble
83 S N -1.6814 Soluble
84 K N -2.4367 Soluble
85 N N -1.7851 Soluble
86 T N -1.0523 Soluble
87 L N 0.0000 Buried
88 Y N -0.5708 Soluble
89 L N 0.0000 Buried
90 Q N -1.2055 Soluble
91 M N 0.0000 Buried
92 N N -1.8665 Soluble
93 S N -1.7582 Soluble
94 L N 0.0000 Buried
95 R N -2.5126 Soluble
96 A N -1.7046 Soluble
97 E N -2.2466 Soluble
98 D N 0.0000 Buried
99 T N -0.6821 Soluble
100 A N 0.0000 Buried
101 V N 0.2385 Aggregation-prone
102 Y N 0.0000 Buried
103 Y N 0.0000 Buried
104 C N 0.0000 Buried
105 K N 0.0000 Buried
106 T N -0.3435 Soluble
107 H N -0.3772 Soluble
108 G N -0.6179 Soluble
114 S N -0.5632 Soluble
115 H N -1.4844 Soluble
116 D N 0.0000 Buried
117 N N -1.3288 Soluble
118 W N -0.7889 Soluble
119 G N 0.0000 Buried
120 Q N -1.1304 Soluble
121 G N 0.0000 Buried
122 T N -0.0918 Soluble
123 M N 0.0760 Aggregation-prone
124 V N 0.0000 Buried
125 T N -0.2933 Soluble
126 V N 0.0000 Buried
127 S N -0.7276 Soluble
128 S N -0.4614 Soluble
129 A N -0.3248 Soluble
130 S N -0.4486 Soluble
131 T N -0.5634 Soluble
132 K N -1.0061 Soluble
133 G N -1.2638 Soluble
134 P N -0.5069 Soluble
135 S N -0.2596 Soluble
136 V N 0.0000 Buried
137 F N 0.0000 Buried
138 P N -1.0724 Soluble
139 L N 0.0000 Buried
140 A N -0.8547 Soluble
141 P N -0.4271 Soluble
142 S N -0.2132 Soluble
143 T N -0.2257 Soluble
144 A N -0.1611 Soluble
145 A N -0.0424 Soluble
146 L N 0.0000 Buried
147 G N 0.0000 Buried
148 C N 0.0000 Buried
149 L N 0.0000 Buried
150 V N 0.0000 Buried
151 K N 0.0000 Buried
152 D N -0.2177 Soluble
153 Y N 0.0000 Buried
154 F N -0.0962 Soluble
155 P N 0.0000 Buried
156 E N -0.6838 Soluble
157 P N -0.7530 Soluble
158 V N -0.4526 Soluble
159 T N -0.5648 Soluble
160 V N -0.3332 Soluble
161 S N -0.3952 Soluble
162 W N 0.0000 Buried
163 N N -0.6611 Soluble
164 S N -0.6315 Soluble
165 G N -0.5496 Soluble
166 A N -0.2053 Soluble
167 L N 0.0941 Aggregation-prone
168 T N -0.1180 Soluble
169 S N -0.1658 Soluble
170 G N -0.1374 Soluble
171 V N 0.0473 Aggregation-prone
172 H N -0.4068 Soluble
173 T N -0.2078 Soluble
174 F N 0.0000 Buried
175 P N 0.0222 Aggregation-prone
176 A N 0.3187 Aggregation-prone
177 V N 0.0000 Buried
178 L N 1.4388 Aggregation-prone
179 Q N 0.4431 Aggregation-prone
180 S N -0.0212 Soluble
181 S N -0.1235 Soluble
182 G N 0.1998 Aggregation-prone
183 L N 0.3908 Aggregation-prone
184 Y N 0.5364 Aggregation-prone
185 S N 0.0000 Buried
186 L N 0.0000 Buried
187 S N 0.0000 Buried
188 S N 0.0000 Buried
189 V N 0.0000 Buried
190 V N 0.0000 Buried
191 T N -0.1959 Soluble
192 V N 0.0000 Buried
193 P N -0.3178 Soluble
194 S N -0.3416 Soluble
195 S N -0.4275 Soluble
196 S N -0.4379 Soluble
197 L N -0.3263 Soluble
198 G N -0.8163 Soluble
199 T N -0.7228 Soluble
200 Q N -1.3895 Soluble
201 T N -1.1150 Soluble
202 Y N -1.0137 Soluble
203 I N -1.1465 Soluble
204 C N 0.0000 Buried
205 N N -1.4142 Soluble
206 V N 0.0000 Buried
207 N N -1.9794 Soluble
208 H N 0.0000 Buried
209 K N -2.7458 Soluble
210 P N -1.4996 Soluble
211 S N -1.7030 Soluble
212 N N -2.5746 Soluble
213 T N -2.0987 Soluble
214 K N -2.6747 Soluble
215 V N -1.5199 Soluble
216 D N -2.2386 Soluble
217 K N -2.1015 Soluble
218 K N -2.5062 Soluble
219 V N 0.0000 Buried
220 E N -2.2819 Soluble
2 S M 0.6307 Aggregation-prone
3 V M 1.5171 Aggregation-prone
4 L M 0.0000 Buried
5 T M 0.1530 Aggregation-prone
6 Q M 0.0000 Buried
7 P M -0.3966 Soluble
8 P M -0.5966 Soluble
9 S M -0.5973 Soluble
11 V M -0.1978 Soluble
12 S M -0.2660 Soluble
13 G M -0.5150 Soluble
14 A M -0.6202 Soluble
15 P M -1.1194 Soluble
16 G M -1.4474 Soluble
17 Q M -1.9359 Soluble
18 R M -2.2907 Soluble
19 V M -0.9361 Soluble
20 T M -0.4188 Soluble
21 I M 0.0000 Buried
22 S M -0.3967 Soluble
23 C M 0.0000 Buried
24 S M -0.2903 Soluble
25 G M -0.5925 Soluble
26 S M -1.3790 Soluble
27 R M -2.5320 Soluble
28 S M -1.5203 Soluble
29 N M 0.0000 Buried
30 I M 0.0000 Buried
35 G M -1.9033 Soluble
36 S M -1.4582 Soluble
37 N M -0.8895 Soluble
38 T M -0.0615 Soluble
39 V M 0.0000 Buried
40 K M 0.0000 Buried
41 W M 0.0000 Buried
42 Y M 0.0000 Buried
43 Q M 0.0000 Buried
44 Q M -0.7994 Soluble
45 L M -0.6412 Soluble
46 P M -0.6316 Soluble
47 G M -0.7313 Soluble
48 T M -0.7963 Soluble
49 A M -0.9220 Soluble
50 P M 0.0000 Buried
51 K M -1.8377 Soluble
52 L M 0.0000 Buried
53 L M 0.0000 Buried
54 I M 0.0000 Buried
55 Y M -0.3201 Soluble
56 Y M 0.3815 Aggregation-prone
57 N M -0.9004 Soluble
65 D M -1.9318 Soluble
66 Q M -1.7371 Soluble
67 R M -1.9059 Soluble
68 P M -1.3090 Soluble
69 S M -0.7958 Soluble
70 G M -0.8545 Soluble
71 V M -1.1293 Soluble
72 P M -1.3179 Soluble
74 D M -2.2939 Soluble
75 R M -1.5649 Soluble
76 F M 0.0000 Buried
77 S M -1.3699 Soluble
78 G M -1.0847 Soluble
79 S M -1.0723 Soluble
80 K M -1.1314 Soluble
83 S M -0.8658 Soluble
84 G M -1.2175 Soluble
85 T M -1.2527 Soluble
86 S M -0.9273 Soluble
87 A M 0.0000 Buried
88 S M -0.6226 Soluble
89 L M 0.0000 Buried
90 A M -0.5348 Soluble
91 I M 0.0000 Buried
92 T M -1.4775 Soluble
93 G M -1.3855 Soluble
94 L M 0.0000 Buried
95 Q M -1.7733 Soluble
96 A M -1.4891 Soluble
97 E M -2.2323 Soluble
98 D M 0.0000 Buried
99 E M 0.0000 Buried
100 A M 0.0000 Buried
101 D M -0.7785 Soluble
102 Y M 0.0000 Buried
103 Y M 0.0000 Buried
104 C M 0.0000 Buried
105 Q M 0.0000 Buried
106 S M 0.0000 Buried
107 Y M -0.3020 Soluble
108 D M -1.3533 Soluble
109 R M -1.9375 Soluble
110 Y M 0.0079 Aggregation-prone
112 T M -0.3838 Soluble
113 H M -1.1287 Soluble
114 P M 0.0000 Buried
115 A M -0.2249 Soluble
116 L M 0.0000 Buried
117 L M 0.0000 Buried
118 F M 0.0000 Buried
119 G M 0.0000 Buried
120 T M -0.2019 Soluble
121 G M -0.7898 Soluble
122 T M 0.0000 Buried
123 K M -0.9994 Soluble
124 V M 0.0000 Buried
125 T M -0.0312 Soluble
126 V M 0.0000 Buried
127 L M 0.5837 Aggregation-prone
128 G M -0.4651 Soluble
129 Q M -0.7365 Soluble
130 P M -1.1722 Soluble
131 K M -2.2512 Soluble
132 A M -1.3769 Soluble
133 A M -0.7713 Soluble
134 P M -0.4797 Soluble
135 S M -0.2944 Soluble
136 V M -0.3321 Soluble
137 T M -0.2365 Soluble
138 L M -0.1954 Soluble
139 F M 0.0000 Buried
140 P M -0.0758 Soluble
141 P M 0.0000 Buried
142 S M -0.9333 Soluble
143 S M -1.3522 Soluble
144 E M -2.2825 Soluble
145 E M 0.0000 Buried
146 L M -2.1247 Soluble
147 Q M -2.3395 Soluble
148 A M -1.9245 Soluble
149 N M -2.7719 Soluble
150 K M -2.8451 Soluble
151 A M 0.0000 Buried
152 T M 0.0000 Buried
153 L M 0.0000 Buried
154 V M 0.0000 Buried
155 C M 0.0000 Buried
156 L M 0.0000 Buried
157 I M 0.0000 Buried
158 S M 0.0000 Buried
159 D M -1.2776 Soluble
160 F M 0.0000 Buried
161 Y M 0.0000 Buried
162 P M -0.9440 Soluble
163 G M -0.6962 Soluble
164 A M -0.1218 Soluble
165 V M 0.0202 Aggregation-prone
166 T M 0.0716 Aggregation-prone
167 V M 0.2855 Aggregation-prone
168 A M -0.2986 Soluble
169 W M 0.0000 Buried
170 K M -0.8739 Soluble
171 A M 0.0000 Buried
172 D M -1.2958 Soluble
173 S M -0.8431 Soluble
174 S M -0.5102 Soluble
175 P M -0.6580 Soluble
176 V M -0.3221 Soluble
177 K M -1.3662 Soluble
178 A M -0.5898 Soluble
179 G M -0.3569 Soluble
180 V M -0.0003 Soluble
181 E M 0.1206 Aggregation-prone
182 T M 0.1900 Aggregation-prone
183 T M 0.1015 Aggregation-prone
184 T M -0.1173 Soluble
185 P M -0.2240 Soluble
186 S M -0.4809 Soluble
187 K M -0.9881 Soluble
188 Q M -1.2088 Soluble
189 S M -1.2340 Soluble
190 N M -1.6833 Soluble
191 N M -1.5549 Soluble
192 K M -1.4174 Soluble
193 Y M -0.8968 Soluble
194 A M 0.0000 Buried
195 A M 0.0000 Buried
196 S M 0.0000 Buried
197 S M 0.0000 Buried
198 Y M 0.0000 Buried
199 L M 0.0000 Buried
200 S M -0.3718 Soluble
201 L M -0.8048 Soluble
202 T M -1.7038 Soluble
203 P M -2.4345 Soluble
204 E M -3.0980 Soluble
205 Q M -2.2846 Soluble
206 W M 0.0000 Buried
207 K M -3.1922 Soluble
208 S M -2.4857 Soluble
209 H M -2.5061 Soluble
210 R M -2.6944 Soluble
211 S M -1.5361 Soluble
212 Y M 0.0000 Buried
213 S M 0.0000 Buried
214 C M 0.0000 Buried
215 Q M -0.7957 Soluble
216 V M 0.0000 Buried
217 T M -0.5974 Soluble
218 H M 0.0000 Buried
219 E M -2.3231 Soluble
220 G M -1.3896 Soluble
221 S M -0.9234 Soluble
222 T M -0.6523 Soluble
223 V M -0.5751 Soluble
224 E M -1.4879 Soluble
225 K M -1.3607 Soluble
226 T M -0.7748 Soluble
227 V M -0.2986 Soluble
228 A M -0.7760 Soluble
229 P M -0.9536 Soluble
230 T M -0.4614 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 -0.7406 1.7347 CSV PDB
4.5 -0.7748 1.7199 CSV PDB
5.0 -0.8126 1.6996 CSV PDB
5.5 -0.8458 1.679 CSV PDB
6.0 -0.865 1.679 CSV PDB
6.5 -0.8636 1.679 CSV PDB
7.0 -0.844 1.679 CSV PDB
7.5 -0.8139 1.679 CSV PDB
8.0 -0.7783 1.679 CSV PDB
8.5 -0.7379 1.679 CSV PDB
9.0 -0.693 1.6848 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH