Briakinumab / 5njd

A4DAB055_5njd_X_W | Source PDB: 5njd | Chains: X, W | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6885
Max Score
1.516
Min Score
-3.1211
Total Score
-289.17
Score CDR
-0.552
Score non-CDR
-0.7057

Calculation Parameters

Chain Sequence(s) QVQLVESGGGVVQPGRSLRLSCAASGFTFSSYGMHWVRQAPGKGLEWVAFIRYDGSNKYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCKTHGSHDNWGQGTMVTVSSASTKGPSVFPLAPSTAALGCLVKDYFPEPVTVSWNSTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSVLTQPPSVSGAPGQRVTISCSGSRSNIGSNTVKWYQQLPGTAPKLLIYYNDQRPSGVPDRFSGSKSGTSASLAITGLQAEDEADYYCQSYDRYTHPALLFGTGTKVTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTE input.pdb
Selected Chain(s) X (Heavy), W (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 -3.1211
Maximum Score 1.516
Average Score -0.6885
Total Score -289.1746

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

Index Residue Chain A4D Score Classification
1 Q X -1.2112 Soluble
2 V X -0.6097 Soluble
3 Q X -1.1386 Soluble
4 L X 0.0000 Buried
5 V X 0.4512 Aggregation-prone
6 E X 0.0000 Buried
7 S X -0.4979 Soluble
8 G X -0.9250 Soluble
9 G X -0.6577 Soluble
11 G X -0.3526 Soluble
12 V X -0.2414 Soluble
13 V X -0.8868 Soluble
14 Q X -1.9937 Soluble
15 P X -2.2081 Soluble
16 G X -2.1816 Soluble
17 R X -2.7531 Soluble
18 S X -1.9244 Soluble
19 L X -1.4053 Soluble
20 R X -2.0794 Soluble
21 L X 0.0000 Buried
22 S X -0.4674 Soluble
23 C X 0.0000 Buried
24 A X -0.1865 Soluble
25 A X 0.0000 Buried
26 S X -0.5214 Soluble
27 G X -0.6904 Soluble
28 F X 0.0801 Aggregation-prone
29 T X 0.0536 Aggregation-prone
30 F X 0.0000 Buried
35 S X -0.4767 Soluble
36 S X 0.3518 Aggregation-prone
37 Y X 1.0260 Aggregation-prone
38 G X 0.0000 Buried
39 M X 0.0000 Buried
40 H X 0.0000 Buried
41 W X 0.0000 Buried
42 V X 0.0000 Buried
43 R X 0.0000 Buried
44 Q X -0.9218 Soluble
45 A X -1.2206 Soluble
46 P X -1.0274 Soluble
47 G X -1.5068 Soluble
48 K X -2.2421 Soluble
49 G X -1.4538 Soluble
50 L X 0.0000 Buried
51 E X -0.9855 Soluble
52 W X 0.0000 Buried
53 V X 0.0000 Buried
54 A X 0.0000 Buried
55 F X 0.0000 Buried
56 I X 0.0000 Buried
57 R X -0.8983 Soluble
58 Y X 0.2088 Aggregation-prone
59 D X -1.7616 Soluble
62 G X -1.5200 Soluble
63 S X -1.5812 Soluble
64 N X -2.0062 Soluble
65 K X -1.5868 Soluble
66 Y X -0.8244 Soluble
67 Y X -0.8445 Soluble
68 A X -1.3982 Soluble
69 D X -2.4625 Soluble
70 S X -1.7100 Soluble
71 V X 0.0000 Buried
72 K X -2.5668 Soluble
74 G X -1.7208 Soluble
75 R X -1.5333 Soluble
76 F X 0.0000 Buried
77 T X -0.8703 Soluble
78 I X 0.0000 Buried
79 S X -0.5492 Soluble
80 R X -1.0481 Soluble
81 D X -1.7211 Soluble
82 N X -1.7918 Soluble
83 S X -1.6262 Soluble
84 K X -2.4175 Soluble
85 N X -1.8516 Soluble
86 T X -1.0116 Soluble
87 L X 0.0000 Buried
88 Y X -0.5568 Soluble
89 L X 0.0000 Buried
90 Q X -1.1874 Soluble
91 M X 0.0000 Buried
92 N X -1.8373 Soluble
93 S X -1.7752 Soluble
94 L X 0.0000 Buried
95 R X -2.4765 Soluble
96 A X -1.7479 Soluble
97 E X -2.2137 Soluble
98 D X 0.0000 Buried
99 T X -0.7578 Soluble
100 A X 0.0000 Buried
101 V X 0.0156 Aggregation-prone
102 Y X 0.0000 Buried
103 Y X 0.0000 Buried
104 C X 0.0000 Buried
105 K X 0.0000 Buried
106 T X -0.3530 Soluble
107 H X -0.4060 Soluble
108 G X -0.6963 Soluble
114 S X -0.5885 Soluble
115 H X -1.3818 Soluble
116 D X 0.0000 Buried
117 N X -1.0764 Soluble
118 W X -0.6072 Soluble
119 G X -0.5582 Soluble
120 Q X -1.1209 Soluble
121 G X -0.3912 Soluble
122 T X -0.1745 Soluble
123 M X -0.0584 Soluble
124 V X 0.0000 Buried
125 T X -0.4598 Soluble
126 V X 0.0000 Buried
127 S X -0.9690 Soluble
128 S X -0.6607 Soluble
129 A X -0.4272 Soluble
130 S X -0.4196 Soluble
131 T X -0.5171 Soluble
132 K X -1.0489 Soluble
133 G X -1.3116 Soluble
134 P X -0.5523 Soluble
135 S X -0.2560 Soluble
136 V X 0.0000 Buried
137 F X 0.0000 Buried
138 P X -0.9563 Soluble
139 L X 0.0000 Buried
140 A X -1.2237 Soluble
141 P X 0.0000 Buried
142 S X -0.5263 Soluble
143 T X -0.2355 Soluble
144 A X -0.1841 Soluble
145 A X -0.0850 Soluble
146 L X 0.0000 Buried
147 G X 0.0000 Buried
148 C X 0.0000 Buried
149 L X 0.0000 Buried
150 V X 0.0000 Buried
151 K X 0.0000 Buried
152 D X -0.2672 Soluble
153 Y X 0.0000 Buried
154 F X 0.0225 Aggregation-prone
155 P X -0.4451 Soluble
156 E X -0.6118 Soluble
157 P X -0.6499 Soluble
158 V X -0.4899 Soluble
159 T X -0.6902 Soluble
160 V X -0.2295 Soluble
161 S X -0.2760 Soluble
162 W X -0.1454 Soluble
163 N X -1.0001 Soluble
164 S X -0.5559 Soluble
165 T X -0.1893 Soluble
166 S X -0.0206 Soluble
167 G X 0.2518 Aggregation-prone
168 V X 1.3653 Aggregation-prone
169 H X 0.4319 Aggregation-prone
170 T X 0.1920 Aggregation-prone
171 F X 0.0000 Buried
172 P X -0.0786 Soluble
173 A X 0.2964 Aggregation-prone
174 V X 0.0000 Buried
175 L X 1.4131 Aggregation-prone
176 Q X 0.3726 Aggregation-prone
177 S X -0.0794 Soluble
178 S X -0.1758 Soluble
179 G X 0.1385 Aggregation-prone
180 L X 0.3394 Aggregation-prone
181 Y X 0.5282 Aggregation-prone
182 S X 0.0000 Buried
183 L X 0.0000 Buried
184 S X 0.0000 Buried
185 S X 0.0000 Buried
186 V X 0.3921 Aggregation-prone
187 V X 0.0000 Buried
188 T X 0.0557 Aggregation-prone
189 V X 0.0000 Buried
190 P X -0.3562 Soluble
191 S X -0.4639 Soluble
192 S X -0.4825 Soluble
193 S X -0.4805 Soluble
194 L X -0.7000 Soluble
195 G X -0.9043 Soluble
196 T X -0.5156 Soluble
197 Q X -0.8376 Soluble
198 T X -0.9609 Soluble
199 Y X 0.0000 Buried
200 I X -1.2759 Soluble
201 C X 0.0000 Buried
202 N X -1.4712 Soluble
203 V X 0.0000 Buried
204 N X -2.3799 Soluble
205 H X 0.0000 Buried
206 K X -2.8184 Soluble
207 P X -1.4499 Soluble
208 S X -1.8080 Soluble
209 N X -2.6998 Soluble
210 T X -2.2322 Soluble
211 K X -2.8902 Soluble
212 V X -1.6930 Soluble
213 D X -2.4724 Soluble
214 K X -1.8329 Soluble
215 K X -2.2624 Soluble
216 V X 0.0000 Buried
217 E X -2.5854 Soluble
218 P X -2.1824 Soluble
219 K X -2.8305 Soluble
2 S W 0.5633 Aggregation-prone
3 V W 1.5160 Aggregation-prone
4 L W 0.0000 Buried
5 T W 0.1501 Aggregation-prone
6 Q W 0.0000 Buried
7 P W -0.3532 Soluble
8 P W -0.5342 Soluble
9 S W -0.5277 Soluble
11 V W -0.1817 Soluble
12 S W -0.2422 Soluble
13 G W 0.0000 Buried
14 A W -0.6472 Soluble
15 P W -1.2074 Soluble
16 G W -1.7514 Soluble
17 Q W -2.5026 Soluble
18 R W -2.5978 Soluble
19 V W -1.0938 Soluble
20 T W -0.4254 Soluble
21 I W 0.0000 Buried
22 S W -0.3394 Soluble
23 C W 0.0000 Buried
24 S W -0.2903 Soluble
25 G W -0.5724 Soluble
26 S W -1.2680 Soluble
27 R W -2.3798 Soluble
28 S W -1.3329 Soluble
29 N W 0.0000 Buried
30 I W 0.0000 Buried
35 G W -1.6313 Soluble
36 S W -1.2050 Soluble
37 N W -0.6707 Soluble
38 T W 0.0027 Aggregation-prone
39 V W 0.0000 Buried
40 K W 0.0000 Buried
41 W W 0.0000 Buried
42 Y W 0.0000 Buried
43 Q W 0.0000 Buried
44 Q W 0.0000 Buried
45 L W -0.1977 Soluble
46 P W -0.4600 Soluble
47 G W -0.6408 Soluble
48 T W -0.5679 Soluble
49 A W -0.6553 Soluble
50 P W 0.0000 Buried
51 K W -1.2144 Soluble
52 L W -0.7994 Soluble
53 L W 0.0000 Buried
54 I W 0.0000 Buried
55 Y W -0.3250 Soluble
56 Y W 0.3888 Aggregation-prone
57 N W -0.8464 Soluble
65 D W -1.9564 Soluble
66 Q W -1.5669 Soluble
67 R W -1.9530 Soluble
68 P W -1.3381 Soluble
69 S W -0.9984 Soluble
70 G W -0.8756 Soluble
71 V W -1.0223 Soluble
72 P W -1.3333 Soluble
74 D W -2.2741 Soluble
75 R W -1.5316 Soluble
76 F W 0.0000 Buried
77 S W -1.3781 Soluble
78 G W -1.1051 Soluble
79 S W -1.0383 Soluble
80 K W -1.1289 Soluble
83 S W -0.8517 Soluble
84 G W -1.1824 Soluble
85 T W -1.1878 Soluble
86 S W -0.8809 Soluble
87 A W 0.0000 Buried
88 S W -0.6082 Soluble
89 L W 0.0000 Buried
90 A W -0.5522 Soluble
91 I W 0.0000 Buried
92 T W -1.7289 Soluble
93 G W -1.6646 Soluble
94 L W 0.0000 Buried
95 Q W -1.5994 Soluble
96 A W -1.5006 Soluble
97 E W -2.2797 Soluble
98 D W 0.0000 Buried
99 E W 0.0000 Buried
100 A W 0.0000 Buried
101 D W -0.5016 Soluble
102 Y W 0.0000 Buried
103 Y W 0.0000 Buried
104 C W 0.0000 Buried
105 Q W 0.0000 Buried
106 S W 0.0000 Buried
107 Y W -0.0108 Soluble
108 D W 0.0000 Buried
109 R W -1.7590 Soluble
110 Y W 0.1158 Aggregation-prone
112 T W -0.3133 Soluble
113 H W -1.0416 Soluble
114 P W 0.0000 Buried
115 A W 0.0000 Buried
116 L W 0.0000 Buried
117 L W 0.0000 Buried
118 F W 0.0000 Buried
119 G W 0.0000 Buried
120 T W -0.1572 Soluble
121 G W 0.0000 Buried
122 T W 0.0000 Buried
123 K W -0.7447 Soluble
124 V W 0.0000 Buried
125 T W 0.0440 Aggregation-prone
126 V W 0.0000 Buried
127 L W 0.6719 Aggregation-prone
128 G W -0.3175 Soluble
129 Q W -0.6991 Soluble
130 P W -1.1535 Soluble
131 K W -2.1602 Soluble
132 A W -1.3676 Soluble
133 A W -0.7907 Soluble
134 P W -0.3873 Soluble
135 S W -0.3879 Soluble
136 V W 0.0000 Buried
137 T W -0.3809 Soluble
138 L W -0.2814 Soluble
139 F W 0.0000 Buried
140 P W -0.0322 Soluble
141 P W 0.0000 Buried
142 S W -1.2963 Soluble
143 S W -1.8064 Soluble
144 E W -2.2323 Soluble
145 E W 0.0000 Buried
146 L W -1.9382 Soluble
147 Q W -2.2460 Soluble
148 A W -1.7930 Soluble
149 N W -2.5306 Soluble
150 K W -2.3699 Soluble
151 A W 0.0000 Buried
152 T W 0.0000 Buried
153 L W 0.0000 Buried
154 V W 0.0000 Buried
155 C W 0.0000 Buried
156 L W 0.0000 Buried
157 I W 0.0000 Buried
158 S W -0.7671 Soluble
159 D W -1.5996 Soluble
160 F W 0.0000 Buried
161 Y W -1.1185 Soluble
162 P W -0.8804 Soluble
163 G W -0.3725 Soluble
164 A W -0.1575 Soluble
165 V W -0.0806 Soluble
166 T W 0.0291 Aggregation-prone
167 V W 0.2702 Aggregation-prone
168 A W -0.3852 Soluble
169 W W 0.0000 Buried
170 K W -1.0492 Soluble
171 A W 0.0000 Buried
172 D W -1.5600 Soluble
173 S W -1.0120 Soluble
174 S W -0.6237 Soluble
175 P W -0.8393 Soluble
176 V W -0.8043 Soluble
177 K W -1.5970 Soluble
178 A W -0.7597 Soluble
179 G W -0.6128 Soluble
180 V W -0.2594 Soluble
181 E W -0.2014 Soluble
182 T W 0.1608 Aggregation-prone
183 T W 0.1066 Aggregation-prone
184 T W 0.0064 Aggregation-prone
185 P W -0.2775 Soluble
186 S W -0.5271 Soluble
187 K W -1.1895 Soluble
188 Q W -1.3666 Soluble
189 S W -1.4011 Soluble
190 N W -2.2199 Soluble
191 N W -1.8168 Soluble
192 K W -1.7051 Soluble
193 Y W -1.0524 Soluble
194 A W 0.0000 Buried
195 A W 0.0000 Buried
196 S W 0.0000 Buried
197 S W 0.0000 Buried
198 Y W 0.0000 Buried
199 L W 0.0000 Buried
200 S W -0.4225 Soluble
201 L W 0.0000 Buried
202 T W -1.5842 Soluble
203 P W -2.2783 Soluble
204 E W -2.9882 Soluble
205 Q W -2.2415 Soluble
206 W W 0.0000 Buried
207 K W -3.1211 Soluble
208 S W -2.3603 Soluble
209 H W -2.4148 Soluble
210 R W -2.7176 Soluble
211 S W -1.6406 Soluble
212 Y W 0.0000 Buried
213 S W 0.0000 Buried
214 C W 0.0000 Buried
215 Q W -1.0075 Soluble
216 V W 0.0000 Buried
217 T W -0.6805 Soluble
218 H W 0.0000 Buried
219 E W -2.3104 Soluble
220 G W -1.4036 Soluble
221 S W -0.9309 Soluble
222 T W -0.7726 Soluble
223 V W -0.7894 Soluble
224 E W -2.0181 Soluble
225 K W -1.6032 Soluble
226 T W -0.9345 Soluble
227 V W -0.3042 Soluble
228 A W -1.0325 Soluble
229 P W -1.3303 Soluble
230 T W -1.5699 Soluble
231 E W -2.4393 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
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 -0.7298 1.7964 CSV PDB
4.5 -0.7681 1.781 CSV PDB
5.0 -0.8115 1.7601 CSV PDB
5.5 -0.851 1.7373 CSV PDB
6.0 -0.8766 1.7373 CSV PDB
6.5 -0.8804 1.7373 CSV PDB
7.0 -0.8639 1.7373 CSV PDB
7.5 -0.8357 1.7373 CSV PDB
8.0 -0.8017 1.7373 CSV PDB
8.5 -0.7629 1.7373 CSV PDB
9.0 -0.7188 1.7373 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH