Briakinumab / 5n2k

A4DAB055_5n2k_D_C | Source PDB: 5n2k | Chains: D, C | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7199
Max Score
1.6318
Min Score
-3.1984
Total Score
-315.33
Score CDR
-0.5906
Score non-CDR
-0.7355

Calculation Parameters

Chain Sequence(s) QVQLVESGGGVVQPGRSLRLSCAASGFTFSSYGMHWVRQAPGKGLEWVAFIRYDGSNKYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCKTHGSHDNWGQGTMVTVSSASTKGPSVFPLAPSSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKGTSGLVPRSVLTQPPSVSGAPGQRVTISCSGSRSNIGSNTVKWYQQLPGTAPKLLIYYNDQRPSGVPDRFSGSKSGTSASLAITGLQAEDEADYYCQSYDRYTHPALLFGTGTKVTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTEC input.pdb
Selected Chain(s) D (Heavy), C (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 -3.1984
Maximum Score 1.6318
Average Score -0.7199
Total Score -315.331

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

Index Residue Chain A4D Score Classification
1 Q D -1.1144 Soluble
2 V D -0.3468 Soluble
3 Q D -0.8816 Soluble
4 L D 0.0000 Buried
5 V D 0.4193 Aggregation-prone
6 E D 0.0000 Buried
7 S D -0.4660 Soluble
8 G D -0.6924 Soluble
9 G D -0.1970 Soluble
11 G D 0.5834 Aggregation-prone
12 V D 1.3701 Aggregation-prone
13 V D 0.0000 Buried
14 Q D -1.7846 Soluble
15 P D -2.1482 Soluble
16 G D -2.2574 Soluble
17 R D -2.8582 Soluble
18 S D -2.0464 Soluble
19 L D -1.2639 Soluble
20 R D -1.7021 Soluble
21 L D 0.0000 Buried
22 S D -0.4183 Soluble
23 C D 0.0000 Buried
24 A D -0.2160 Soluble
25 A D 0.0000 Buried
26 S D -0.6418 Soluble
27 G D -0.6791 Soluble
28 F D -0.0915 Soluble
29 T D 0.0073 Aggregation-prone
30 F D 0.0000 Buried
35 S D -0.8172 Soluble
36 S D -0.0960 Soluble
37 Y D 0.4037 Aggregation-prone
38 G D 0.0000 Buried
39 M D 0.0000 Buried
40 H D 0.0000 Buried
41 W D 0.0000 Buried
42 V D 0.0000 Buried
43 R D 0.0000 Buried
44 Q D -0.7728 Soluble
45 A D -1.1406 Soluble
46 P D -0.8293 Soluble
47 G D -1.5250 Soluble
48 K D -2.2202 Soluble
49 G D -1.3704 Soluble
50 L D 0.0000 Buried
51 E D -0.9022 Soluble
52 W D 0.0000 Buried
53 V D 0.0000 Buried
54 A D 0.0000 Buried
55 F D 0.0000 Buried
56 I D 0.0000 Buried
57 R D -1.3861 Soluble
58 Y D -0.5261 Soluble
59 D D -1.9277 Soluble
62 G D -1.7984 Soluble
63 S D -1.5410 Soluble
64 N D -1.9244 Soluble
65 K D -1.3866 Soluble
66 Y D -0.7413 Soluble
67 Y D -0.8872 Soluble
68 A D -1.3608 Soluble
69 D D -2.4546 Soluble
70 S D -1.7818 Soluble
71 V D 0.0000 Buried
72 K D -2.5598 Soluble
74 G D -1.7374 Soluble
75 R D -1.4388 Soluble
76 F D 0.0000 Buried
77 T D -0.8147 Soluble
78 I D 0.0000 Buried
79 S D -0.9331 Soluble
80 R D -1.3679 Soluble
81 D D -2.1632 Soluble
82 N D -2.0105 Soluble
83 S D -1.6976 Soluble
84 K D -2.4919 Soluble
85 N D -1.7815 Soluble
86 T D 0.0000 Buried
87 L D 0.0000 Buried
88 Y D -0.5502 Soluble
89 L D 0.0000 Buried
90 Q D -0.9764 Soluble
91 M D 0.0000 Buried
92 N D -1.8621 Soluble
93 S D -1.8561 Soluble
94 L D 0.0000 Buried
95 R D -2.6546 Soluble
96 A D -1.8981 Soluble
97 E D -2.3017 Soluble
98 D D 0.0000 Buried
99 T D -0.5723 Soluble
100 A D 0.0000 Buried
101 V D 0.2366 Aggregation-prone
102 Y D 0.0000 Buried
103 Y D 0.0000 Buried
104 C D 0.0000 Buried
105 K D 0.0000 Buried
106 T D 0.0000 Buried
107 H D -0.4925 Soluble
108 G D -0.6669 Soluble
114 S D -0.5115 Soluble
115 H D -1.2567 Soluble
116 D D 0.0000 Buried
117 N D -1.0628 Soluble
118 W D -0.6233 Soluble
119 G D 0.0000 Buried
120 Q D -1.0384 Soluble
121 G D 0.0000 Buried
122 T D -0.0244 Soluble
123 M D 0.4783 Aggregation-prone
124 V D 0.0000 Buried
125 T D 0.1178 Aggregation-prone
126 V D 0.0000 Buried
127 S D -0.7507 Soluble
128 S D -0.5015 Soluble
129 A D -0.2819 Soluble
130 S D -0.4405 Soluble
131 T D -0.7028 Soluble
132 K D -1.1416 Soluble
133 G D -1.2886 Soluble
134 P D 0.0000 Buried
135 S D -0.3025 Soluble
136 V D 0.0000 Buried
137 F D 0.0000 Buried
138 P D -1.0647 Soluble
139 L D 0.0000 Buried
140 A D -1.2821 Soluble
141 P D 0.0000 Buried
142 S D -1.0006 Soluble
143 S D -0.8419 Soluble
144 G D -0.6588 Soluble
145 T D -0.4828 Soluble
146 A D -0.3263 Soluble
147 A D -0.0505 Soluble
148 L D 0.0000 Buried
149 G D 0.0000 Buried
150 C D 0.0000 Buried
151 L D 0.0000 Buried
152 V D 0.0000 Buried
153 K D -0.2666 Soluble
154 D D -0.2708 Soluble
155 Y D 0.0000 Buried
156 F D -0.3469 Soluble
157 P D -1.0812 Soluble
158 E D -1.6766 Soluble
159 P D -1.4496 Soluble
160 V D -0.9734 Soluble
161 T D -0.7287 Soluble
162 V D -0.3423 Soluble
163 S D -0.3871 Soluble
164 W D 0.0000 Buried
165 N D -0.7865 Soluble
166 S D -0.6578 Soluble
167 G D -0.4582 Soluble
168 A D -0.2315 Soluble
169 L D -0.0526 Soluble
170 T D -0.2169 Soluble
171 S D -0.2898 Soluble
172 G D -0.3386 Soluble
173 V D 0.1232 Aggregation-prone
174 H D -0.1635 Soluble
175 T D -0.0085 Soluble
176 F D 0.0000 Buried
177 P D -0.0188 Soluble
178 A D 0.0712 Aggregation-prone
179 V D 0.0000 Buried
180 L D 1.1976 Aggregation-prone
181 Q D 0.3846 Aggregation-prone
182 S D -0.5346 Soluble
183 S D -0.2793 Soluble
184 G D 0.2670 Aggregation-prone
185 L D 0.1597 Aggregation-prone
186 Y D 0.2467 Aggregation-prone
187 S D 0.0000 Buried
188 L D 0.0000 Buried
189 S D 0.0000 Buried
190 S D 0.0000 Buried
191 V D 0.1297 Aggregation-prone
192 V D 0.0000 Buried
193 T D -0.2035 Soluble
194 V D 0.0000 Buried
195 P D -0.5018 Soluble
196 S D -0.5902 Soluble
197 S D -0.6161 Soluble
198 S D -0.6295 Soluble
199 L D -0.8096 Soluble
200 G D -0.9878 Soluble
201 T D -0.6774 Soluble
202 Q D -1.1453 Soluble
203 T D -1.0934 Soluble
204 Y D 0.0000 Buried
205 I D -1.2886 Soluble
206 C D 0.0000 Buried
207 N D -1.5237 Soluble
208 V D 0.0000 Buried
209 N D -1.8073 Soluble
210 H D 0.0000 Buried
211 K D -2.8202 Soluble
212 P D -1.7631 Soluble
213 S D -1.7611 Soluble
214 N D -2.5213 Soluble
215 T D -2.0284 Soluble
216 K D -2.6592 Soluble
217 V D -1.6870 Soluble
218 D D -2.6172 Soluble
219 K D -2.3123 Soluble
220 K D -2.6356 Soluble
221 V D 0.0000 Buried
222 E D -2.8227 Soluble
223 P D -1.8125 Soluble
224 K D -2.0775 Soluble
225 S D -1.3821 Soluble
226 C D -1.6893 Soluble
227 D D -2.9962 Soluble
228 K D -2.7202 Soluble
229 G D -1.4705 Soluble
230 T D -0.8698 Soluble
231 S D -0.2878 Soluble
232 G D 0.2141 Aggregation-prone
233 L D 1.5205 Aggregation-prone
234 V D 1.5073 Aggregation-prone
235 P D -0.5215 Soluble
236 R D -1.1820 Soluble
2 S C 0.6398 Aggregation-prone
3 V C 1.6318 Aggregation-prone
4 L C 0.0000 Buried
5 T C 0.2425 Aggregation-prone
6 Q C 0.0000 Buried
7 P C -0.3026 Soluble
8 P C -0.5080 Soluble
9 S C -0.4626 Soluble
11 V C -0.1728 Soluble
12 S C -0.6184 Soluble
13 G C 0.0000 Buried
14 A C -0.9866 Soluble
15 P C -1.2972 Soluble
16 G C -1.7472 Soluble
17 Q C -2.4297 Soluble
18 R C -2.6616 Soluble
19 V C 0.0000 Buried
20 T C -0.5109 Soluble
21 I C 0.0000 Buried
22 S C -0.3159 Soluble
23 C C 0.0000 Buried
24 S C -0.1622 Soluble
25 G C -0.3996 Soluble
26 S C -1.0723 Soluble
27 R C -2.4218 Soluble
28 S C -1.5573 Soluble
29 N C 0.0000 Buried
30 I C 0.0000 Buried
35 G C -1.6160 Soluble
36 S C -0.9617 Soluble
37 N C -0.4657 Soluble
38 T C 0.0856 Aggregation-prone
39 V C 0.0000 Buried
40 K C 0.0000 Buried
41 W C 0.0000 Buried
42 Y C 0.0000 Buried
43 Q C 0.0000 Buried
44 Q C 0.0000 Buried
45 L C -0.4666 Soluble
46 P C -0.4406 Soluble
47 G C -0.6378 Soluble
48 T C -0.6887 Soluble
49 A C -0.7762 Soluble
50 P C 0.0000 Buried
51 K C -1.3899 Soluble
52 L C -0.9384 Soluble
53 L C 0.0000 Buried
54 I C 0.0000 Buried
55 Y C -0.2570 Soluble
56 Y C 0.4299 Aggregation-prone
57 N C -0.7069 Soluble
65 D C -1.6840 Soluble
66 Q C -1.7343 Soluble
67 R C -1.6516 Soluble
68 P C -1.2015 Soluble
69 S C -0.7707 Soluble
70 G C -0.8316 Soluble
71 V C -1.1012 Soluble
72 P C -1.2978 Soluble
74 D C -2.3174 Soluble
75 R C -1.6668 Soluble
76 F C 0.0000 Buried
77 S C -1.3420 Soluble
78 G C 0.0000 Buried
79 S C -0.9552 Soluble
80 K C -0.9582 Soluble
83 S C -0.7844 Soluble
84 G C -1.1458 Soluble
85 T C -1.1973 Soluble
86 S C -0.8616 Soluble
87 A C 0.0000 Buried
88 S C -0.5991 Soluble
89 L C 0.0000 Buried
90 A C -0.6209 Soluble
91 I C 0.0000 Buried
92 T C -1.8330 Soluble
93 G C -1.6851 Soluble
94 L C 0.0000 Buried
95 Q C -1.7142 Soluble
96 A C -1.4049 Soluble
97 E C -2.1083 Soluble
98 D C 0.0000 Buried
99 E C -1.2574 Soluble
100 A C 0.0000 Buried
101 D C -0.7453 Soluble
102 Y C 0.0000 Buried
103 Y C 0.0000 Buried
104 C C 0.0000 Buried
105 Q C 0.0000 Buried
106 S C 0.0000 Buried
107 Y C -0.2540 Soluble
108 D C -0.9204 Soluble
109 R C -1.6499 Soluble
110 Y C 0.2230 Aggregation-prone
112 T C -0.0590 Soluble
113 H C -0.4202 Soluble
114 P C -0.3717 Soluble
115 A C -0.1500 Soluble
116 L C 0.0000 Buried
117 L C 0.4933 Aggregation-prone
118 F C 0.3973 Aggregation-prone
119 G C 0.0000 Buried
120 T C -0.1312 Soluble
121 G C -0.6405 Soluble
122 T C 0.0000 Buried
123 K C -0.7080 Soluble
124 V C 0.0000 Buried
125 T C 0.0000 Buried
126 V C -0.6808 Soluble
127 L C -0.5378 Soluble
128 G C -0.7746 Soluble
129 Q C -0.9866 Soluble
130 P C -1.1148 Soluble
131 K C -1.8277 Soluble
132 A C -1.1164 Soluble
133 A C -0.5961 Soluble
134 P C 0.0000 Buried
135 S C -0.6619 Soluble
136 V C 0.0000 Buried
137 T C -0.3986 Soluble
138 L C -0.3635 Soluble
139 F C 0.0000 Buried
140 P C -0.1249 Soluble
141 P C 0.0000 Buried
142 S C -1.0447 Soluble
143 S C -1.4846 Soluble
144 E C -2.2918 Soluble
145 E C 0.0000 Buried
146 L C -1.9016 Soluble
147 Q C -2.2945 Soluble
148 A C -1.8555 Soluble
149 N C -2.5568 Soluble
150 K C -2.4217 Soluble
151 A C 0.0000 Buried
152 T C 0.0000 Buried
153 L C 0.0000 Buried
154 V C 0.0000 Buried
155 C C 0.0000 Buried
156 L C 0.0000 Buried
157 I C 0.0000 Buried
158 S C -0.8269 Soluble
159 D C -1.7593 Soluble
160 F C 0.0000 Buried
161 Y C 0.0000 Buried
162 P C 0.0000 Buried
163 G C 0.0000 Buried
164 A C -0.1491 Soluble
165 V C 0.0353 Aggregation-prone
166 T C -0.0251 Soluble
167 V C 0.0657 Aggregation-prone
168 A C -0.3998 Soluble
169 W C 0.0000 Buried
170 K C -0.8912 Soluble
171 A C -1.2534 Soluble
172 D C -1.5169 Soluble
173 S C -0.7832 Soluble
174 S C -0.8177 Soluble
175 P C -0.8595 Soluble
176 V C -0.8078 Soluble
177 K C -1.6287 Soluble
178 A C -0.7910 Soluble
179 G C -0.5649 Soluble
180 V C -0.3376 Soluble
181 E C -0.4017 Soluble
182 T C -0.0256 Soluble
183 T C -0.0754 Soluble
184 T C -0.7084 Soluble
185 P C -0.6054 Soluble
186 S C -1.2486 Soluble
187 K C -2.6655 Soluble
188 Q C -2.2438 Soluble
189 S C -1.7591 Soluble
190 N C -2.5195 Soluble
191 N C -2.7974 Soluble
192 K C -2.4601 Soluble
193 Y C 0.0000 Buried
194 A C 0.0000 Buried
195 A C 0.0000 Buried
196 S C 0.0000 Buried
197 S C 0.0000 Buried
198 Y C 0.0000 Buried
199 L C 0.0000 Buried
200 S C -0.5133 Soluble
201 L C -1.1142 Soluble
202 T C -1.8082 Soluble
203 P C -2.4203 Soluble
204 E C -3.1984 Soluble
205 Q C -2.4145 Soluble
206 W C 0.0000 Buried
207 K C -3.1956 Soluble
208 S C -2.4323 Soluble
209 H C -2.4376 Soluble
210 R C -2.8016 Soluble
211 S C -1.8602 Soluble
212 Y C 0.0000 Buried
213 S C -1.0967 Soluble
214 C C 0.0000 Buried
215 Q C -1.0986 Soluble
216 V C 0.0000 Buried
217 T C -0.5129 Soluble
218 H C 0.0000 Buried
219 E C -1.2468 Soluble
220 G C -0.9499 Soluble
221 S C -0.7995 Soluble
222 T C -0.6733 Soluble
223 V C -0.8841 Soluble
224 E C -2.2558 Soluble
225 K C -1.8762 Soluble
226 T C -1.1332 Soluble
227 V C 0.0000 Buried
228 A C -1.5058 Soluble
229 P C -1.5342 Soluble
230 T C -1.7241 Soluble
231 E C -2.4384 Soluble
232 C C -1.6543 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
Load structure at specific pH condition
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 -0.7556 2.0605 CSV PDB
4.5 -0.7966 2.0345 CSV PDB
5.0 -0.8433 2.0039 CSV PDB
5.5 -0.8864 1.9716 CSV PDB
6.0 -0.9152 1.9401 CSV PDB
6.5 -0.9213 1.9117 CSV PDB
7.0 -0.9059 1.8876 CSV PDB
7.5 -0.8767 1.8674 CSV PDB
8.0 -0.8398 1.8566 CSV PDB
8.5 -0.7973 1.921 CSV PDB
9.0 -0.7493 1.9849 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH