Briakinumab / 5n2k

A4DAB055_5n2k_L_K | Source PDB: 5n2k | Chains: L, K | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7008
Max Score
1.6528
Min Score
-3.0658
Total Score
-296.45
Score CDR
-0.5851
Score non-CDR
-0.7153

Calculation Parameters

Chain Sequence(s) QVQLVESGGGVVQPGRSLRLSCAASGFTFSSYGMHWVRQAPGKGLEWVAFIRYDGSNKYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCKTHGSHDNWGQGTMVTVSSASTKGPSVFPLAPSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPSVLTQPPSVSGAPGQRVTISCSGSRSNIGSNTVKWYQQLPGTAPKLLIYYNDQRPSGVPDRFSGSKSGTSASLAITGLQAEDEADYYCQSYDRYTHPALLFGTGTKVTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTE input.pdb
Selected Chain(s) L (Heavy), K (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 -3.0658
Maximum Score 1.6528
Average Score -0.7008
Total Score -296.4452

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

Index Residue Chain A4D Score Classification
1 Q L -1.2128 Soluble
2 V L -0.6105 Soluble
3 Q L -1.2267 Soluble
4 L L 0.0000 Buried
5 V L 0.1423 Aggregation-prone
6 E L 0.0000 Buried
7 S L -0.5339 Soluble
8 G L -0.7338 Soluble
9 G L -0.2616 Soluble
11 G L 0.4635 Aggregation-prone
12 V L 1.0093 Aggregation-prone
13 V L 0.0000 Buried
14 Q L -1.7875 Soluble
15 P L -1.9365 Soluble
16 G L -1.9955 Soluble
17 R L -2.6294 Soluble
18 S L -1.9396 Soluble
19 L L -1.2243 Soluble
20 R L -1.7395 Soluble
21 L L 0.0000 Buried
22 S L -0.4567 Soluble
23 C L 0.0000 Buried
24 A L -0.4228 Soluble
25 A L 0.0000 Buried
26 S L -0.7820 Soluble
27 G L -0.5905 Soluble
28 F L -0.0712 Soluble
29 T L 0.0184 Aggregation-prone
30 F L 0.0000 Buried
35 S L -0.8070 Soluble
36 S L -0.0972 Soluble
37 Y L 0.4114 Aggregation-prone
38 G L 0.0000 Buried
39 M L 0.0000 Buried
40 H L 0.0000 Buried
41 W L 0.0000 Buried
42 V L 0.0000 Buried
43 R L 0.0000 Buried
44 Q L -0.7892 Soluble
45 A L -1.1671 Soluble
46 P L -0.9961 Soluble
47 G L -1.5001 Soluble
48 K L -2.2118 Soluble
49 G L -1.3430 Soluble
50 L L 0.0000 Buried
51 E L -0.9469 Soluble
52 W L 0.0000 Buried
53 V L 0.0000 Buried
54 A L 0.0000 Buried
55 F L 0.0000 Buried
56 I L 0.0000 Buried
57 R L -1.6803 Soluble
58 Y L -0.5473 Soluble
59 D L -1.9907 Soluble
62 G L -1.9208 Soluble
63 S L -1.6759 Soluble
64 N L -2.1356 Soluble
65 K L -1.5728 Soluble
66 Y L -0.8626 Soluble
67 Y L -0.9544 Soluble
68 A L -1.3781 Soluble
69 D L -2.4600 Soluble
70 S L -1.8302 Soluble
71 V L 0.0000 Buried
72 K L -2.5895 Soluble
74 G L -1.7995 Soluble
75 R L -1.5569 Soluble
76 F L 0.0000 Buried
77 T L -0.8699 Soluble
78 I L 0.0000 Buried
79 S L -0.9870 Soluble
80 R L -1.3576 Soluble
81 D L -2.0779 Soluble
82 N L -1.9996 Soluble
83 S L -1.6958 Soluble
84 K L -2.4686 Soluble
85 N L -1.8024 Soluble
86 T L 0.0000 Buried
87 L L 0.0000 Buried
88 Y L -0.5466 Soluble
89 L L 0.0000 Buried
90 Q L -1.0345 Soluble
91 M L 0.0000 Buried
92 N L -1.7380 Soluble
93 S L -1.7016 Soluble
94 L L 0.0000 Buried
95 R L -2.4028 Soluble
96 A L -1.6392 Soluble
97 E L -2.1961 Soluble
98 D L 0.0000 Buried
99 T L -0.5566 Soluble
100 A L 0.0000 Buried
101 V L 0.2173 Aggregation-prone
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 K L 0.0000 Buried
106 T L 0.0000 Buried
107 H L -0.5275 Soluble
108 G L -0.7020 Soluble
114 S L -0.5540 Soluble
115 H L -1.3164 Soluble
116 D L -1.0696 Soluble
117 N L -1.1319 Soluble
118 W L -0.6620 Soluble
119 G L 0.0000 Buried
120 Q L -1.1147 Soluble
121 G L 0.0000 Buried
122 T L -0.0816 Soluble
123 M L 0.3755 Aggregation-prone
124 V L 0.0000 Buried
125 T L 0.0000 Buried
126 V L 0.0000 Buried
127 S L -0.7044 Soluble
128 S L -0.6998 Soluble
129 A L -0.3911 Soluble
130 S L -0.4704 Soluble
131 T L -0.6167 Soluble
132 K L -0.9768 Soluble
133 G L -1.2035 Soluble
134 P L -0.4378 Soluble
135 S L -0.2469 Soluble
136 V L 0.0000 Buried
137 F L 0.0000 Buried
138 P L 0.0000 Buried
139 L L 0.0000 Buried
140 A L -0.8234 Soluble
141 P L 0.0000 Buried
142 S L -0.4682 Soluble
143 G L -0.6742 Soluble
144 T L -0.4846 Soluble
145 A L -0.2974 Soluble
146 A L -0.1224 Soluble
147 L L 0.0000 Buried
148 G L 0.0000 Buried
149 C L 0.0000 Buried
150 L L 0.0000 Buried
151 V L 0.0000 Buried
152 K L 0.0000 Buried
153 D L 0.0000 Buried
154 Y L 0.0000 Buried
155 F L 0.0000 Buried
156 P L -0.3646 Soluble
157 E L -0.6129 Soluble
158 P L -0.8843 Soluble
159 V L -0.5945 Soluble
160 T L -0.6660 Soluble
161 V L -0.2427 Soluble
162 S L -0.4312 Soluble
163 W L 0.0000 Buried
164 N L -0.7055 Soluble
165 S L -0.6537 Soluble
166 G L -0.4568 Soluble
167 A L -0.2043 Soluble
168 L L -0.0377 Soluble
169 T L -0.2232 Soluble
170 S L -0.4143 Soluble
171 G L -0.5213 Soluble
172 V L -0.0015 Soluble
173 H L -0.3213 Soluble
174 T L -0.0237 Soluble
175 F L 0.0000 Buried
176 P L 0.0169 Aggregation-prone
177 A L 0.2763 Aggregation-prone
178 V L 0.4520 Aggregation-prone
179 L L 0.9413 Aggregation-prone
180 Q L 0.1094 Aggregation-prone
181 S L -0.2533 Soluble
182 S L -0.1575 Soluble
183 G L 0.0900 Aggregation-prone
184 L L 0.1939 Aggregation-prone
185 Y L 0.4077 Aggregation-prone
186 S L 0.0000 Buried
187 L L 0.0000 Buried
188 S L 0.0000 Buried
189 S L 0.0000 Buried
190 V L 0.0000 Buried
191 V L 0.0000 Buried
192 T L -0.2310 Soluble
193 V L 0.0000 Buried
194 P L -0.5238 Soluble
195 S L -0.5780 Soluble
196 S L -0.6723 Soluble
197 S L -0.7520 Soluble
198 L L -0.8953 Soluble
199 G L -1.0663 Soluble
200 T L -0.8524 Soluble
201 Q L -1.4944 Soluble
202 T L -1.1271 Soluble
203 Y L 0.0000 Buried
204 I L -0.9891 Soluble
205 C L 0.0000 Buried
206 N L -1.4347 Soluble
207 V L 0.0000 Buried
208 N L -2.1027 Soluble
209 H L 0.0000 Buried
210 K L -2.8427 Soluble
211 P L -1.6599 Soluble
212 S L -1.8247 Soluble
213 N L -2.6253 Soluble
214 T L -2.0994 Soluble
215 K L -2.7793 Soluble
216 V L -1.7091 Soluble
217 D L -2.4390 Soluble
218 K L -1.8971 Soluble
219 K L -1.9730 Soluble
220 V L 0.0000 Buried
221 E L -2.3684 Soluble
222 P L -1.2047 Soluble
2 S K 0.6846 Aggregation-prone
3 V K 1.6528 Aggregation-prone
4 L K 0.0000 Buried
5 T K 0.2114 Aggregation-prone
6 Q K 0.0000 Buried
7 P K -0.5478 Soluble
8 P K -0.8127 Soluble
9 S K -0.9055 Soluble
11 V K -0.4961 Soluble
12 S K -0.6523 Soluble
13 G K 0.0000 Buried
14 A K -0.9738 Soluble
15 P K -1.3580 Soluble
16 G K -1.7720 Soluble
17 Q K -2.4740 Soluble
18 R K -2.6746 Soluble
19 V K 0.0000 Buried
20 T K -0.5059 Soluble
21 I K 0.0000 Buried
22 S K -0.3715 Soluble
23 C K 0.0000 Buried
24 S K -0.1440 Soluble
25 G K -0.3852 Soluble
26 S K -1.0322 Soluble
27 R K -2.3588 Soluble
28 S K -1.3928 Soluble
29 N K 0.0000 Buried
30 I K 0.0000 Buried
35 G K -1.3761 Soluble
36 S K -0.8215 Soluble
37 N K -0.3550 Soluble
38 T K 0.0909 Aggregation-prone
39 V K 0.0000 Buried
40 K K 0.0000 Buried
41 W K 0.0000 Buried
42 Y K 0.0000 Buried
43 Q K 0.0000 Buried
44 Q K 0.0000 Buried
45 L K -0.2899 Soluble
46 P K -0.3411 Soluble
47 G K -0.6300 Soluble
48 T K -0.6601 Soluble
49 A K -0.7363 Soluble
50 P K 0.0000 Buried
51 K K -1.3481 Soluble
52 L K -0.8722 Soluble
53 L K 0.0000 Buried
54 I K 0.0000 Buried
55 Y K -0.2375 Soluble
56 Y K 0.4096 Aggregation-prone
57 N K -0.7155 Soluble
65 D K -1.6767 Soluble
66 Q K -1.6808 Soluble
67 R K -1.5927 Soluble
68 P K -0.9777 Soluble
69 S K -0.7519 Soluble
70 G K -0.8524 Soluble
71 V K -1.0768 Soluble
72 P K -1.2761 Soluble
74 D K -2.2595 Soluble
75 R K -1.5639 Soluble
76 F K 0.0000 Buried
77 S K -1.2764 Soluble
78 G K 0.0000 Buried
79 S K -0.9427 Soluble
80 K K -0.9327 Soluble
83 S K -0.7804 Soluble
84 G K -1.1724 Soluble
85 T K -1.2082 Soluble
86 S K -0.8874 Soluble
87 A K 0.0000 Buried
88 S K -0.5820 Soluble
89 L K 0.0000 Buried
90 A K -0.6011 Soluble
91 I K 0.0000 Buried
92 T K -1.8044 Soluble
93 G K -1.6764 Soluble
94 L K 0.0000 Buried
95 Q K -1.6730 Soluble
96 A K -1.3490 Soluble
97 E K -2.0404 Soluble
98 D K 0.0000 Buried
99 E K -1.2012 Soluble
100 A K 0.0000 Buried
101 D K -0.9066 Soluble
102 Y K 0.0000 Buried
103 Y K 0.0000 Buried
104 C K 0.0000 Buried
105 Q K 0.0000 Buried
106 S K 0.0000 Buried
107 Y K -0.1017 Soluble
108 D K 0.0000 Buried
109 R K -1.4995 Soluble
110 Y K 0.2810 Aggregation-prone
112 T K -0.0333 Soluble
113 H K -0.4155 Soluble
114 P K 0.0000 Buried
115 A K -0.1219 Soluble
116 L K 0.0000 Buried
117 L K 0.5503 Aggregation-prone
118 F K 0.3908 Aggregation-prone
119 G K 0.0000 Buried
120 T K -0.1640 Soluble
121 G K -0.8753 Soluble
122 T K 0.0000 Buried
123 K K -1.8506 Soluble
124 V K 0.0000 Buried
125 T K -0.7921 Soluble
126 V K 0.0000 Buried
127 L K -0.3817 Soluble
128 G K -0.8862 Soluble
129 Q K -1.1284 Soluble
130 P K -1.2572 Soluble
131 K K -2.2691 Soluble
132 A K -1.4106 Soluble
133 A K -0.8496 Soluble
134 P K 0.0000 Buried
135 S K -0.6608 Soluble
136 V K 0.0000 Buried
137 T K -0.5320 Soluble
138 L K 0.0000 Buried
139 F K 0.0000 Buried
140 P K -0.3453 Soluble
141 P K 0.0000 Buried
142 S K -0.5768 Soluble
143 S K -1.0469 Soluble
144 E K -1.4931 Soluble
145 E K 0.0000 Buried
146 L K -1.4468 Soluble
147 Q K -1.9032 Soluble
148 A K -1.4905 Soluble
149 N K -2.2441 Soluble
150 K K -1.8682 Soluble
151 A K 0.0000 Buried
152 T K 0.0000 Buried
153 L K 0.0000 Buried
154 V K 0.0000 Buried
155 C K 0.0000 Buried
156 L K 0.0000 Buried
157 I K 0.0000 Buried
158 S K -0.8179 Soluble
159 D K -1.8376 Soluble
160 F K 0.0000 Buried
161 Y K 0.0000 Buried
162 P K -1.0546 Soluble
163 G K -0.8088 Soluble
164 A K -0.2121 Soluble
165 V K -0.0837 Soluble
166 T K -0.0969 Soluble
167 V K 0.0018 Aggregation-prone
168 A K -0.4332 Soluble
169 W K 0.0000 Buried
170 K K -1.1079 Soluble
171 A K 0.0000 Buried
172 D K -1.7557 Soluble
173 S K -0.9193 Soluble
174 S K -0.9265 Soluble
175 P K -0.9706 Soluble
176 V K -0.9133 Soluble
177 K K -1.7766 Soluble
178 A K -0.9533 Soluble
179 G K -0.8804 Soluble
180 V K -0.8226 Soluble
181 E K -1.2877 Soluble
182 T K -0.5410 Soluble
183 T K -0.2286 Soluble
184 T K -0.1404 Soluble
185 P K -0.4032 Soluble
186 S K -0.9702 Soluble
187 K K -2.1279 Soluble
188 Q K -1.8865 Soluble
189 S K -1.5928 Soluble
190 N K -2.3322 Soluble
191 N K -2.6468 Soluble
192 K K -2.3641 Soluble
193 Y K -1.4480 Soluble
194 A K 0.0000 Buried
195 A K 0.0000 Buried
196 S K 0.0000 Buried
197 S K 0.0000 Buried
198 Y K 0.0000 Buried
199 L K 0.0000 Buried
200 S K -0.5632 Soluble
201 L K 0.0000 Buried
202 T K -1.5243 Soluble
203 P K -2.1594 Soluble
204 E K -2.9458 Soluble
205 Q K -2.0657 Soluble
206 W K 0.0000 Buried
207 K K -3.0658 Soluble
208 S K -2.2923 Soluble
209 H K -2.4081 Soluble
210 R K -2.6452 Soluble
211 S K -1.7289 Soluble
212 Y K 0.0000 Buried
213 S K -1.2362 Soluble
214 C K 0.0000 Buried
215 Q K -1.0542 Soluble
216 V K 0.0000 Buried
217 T K -0.6839 Soluble
218 H K 0.0000 Buried
219 E K -2.2920 Soluble
220 G K -1.4241 Soluble
221 S K -0.8344 Soluble
222 T K -0.7373 Soluble
223 V K -0.7522 Soluble
224 E K -2.1825 Soluble
225 K K -1.8905 Soluble
226 T K -1.2080 Soluble
227 V K 0.0000 Buried
228 A K -1.4989 Soluble
229 P K -1.5680 Soluble
230 T K -1.5112 Soluble
231 E K -1.8721 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 -0.7319 2.1144 CSV PDB
4.5 -0.7692 2.1063 CSV PDB
5.0 -0.811 2.0978 CSV PDB
5.5 -0.8492 2.0891 CSV PDB
6.0 -0.8752 2.0805 CSV PDB
6.5 -0.8813 2.0719 CSV PDB
7.0 -0.8679 2.0634 CSV PDB
7.5 -0.8422 2.0552 CSV PDB
8.0 -0.8096 2.048 CSV PDB
8.5 -0.7724 2.0428 CSV PDB
9.0 -0.7307 2.0399 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH