Briakinumab / 5n2k

A4DAB055_5n2k_F_E | Source PDB: 5n2k | Chains: F, E | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6887
Max Score
1.4538
Min Score
-3.2765
Total Score
-292.01
Score CDR
-0.5595
Score non-CDR
-0.7048

Calculation Parameters

Chain Sequence(s) QVQLVESGGGVVQPGRSLRLSCAASGFTFSSYGMHWVRQAPGKGLEWVAFIRYDGSNKYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCKTHGSHDNWGQGTMVTVSSASTKGPSVFPLAPSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKQSVLTQPPSVSGAPGQRVTISCSGSRSNIGSNTVKWYQQLPGTAPKLLIYYNDQRPSGVPDRFSGSKSGTSASLAITGLQAEDEADYYCQSYDRYTHPALLFGTGTKVTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPT input.pdb
Selected Chain(s) F (Heavy), E (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 -3.2765
Maximum Score 1.4538
Average Score -0.6887
Total Score -292.0112

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

Index Residue Chain A4D Score Classification
1 Q F -1.3218 Soluble
2 V F -0.7490 Soluble
3 Q F -1.0985 Soluble
4 L F 0.0000 Buried
5 V F 0.5429 Aggregation-prone
6 E F 0.0000 Buried
7 S F -0.4357 Soluble
8 G F -0.8772 Soluble
9 G F -0.1913 Soluble
11 G F 0.6307 Aggregation-prone
12 V F 1.4538 Aggregation-prone
13 V F 0.0000 Buried
14 Q F -1.6789 Soluble
15 P F -1.9972 Soluble
16 G F -2.2123 Soluble
17 R F -2.8028 Soluble
18 S F -1.9867 Soluble
19 L F -1.2016 Soluble
20 R F -1.7417 Soluble
21 L F 0.0000 Buried
22 S F -0.4075 Soluble
23 C F 0.0000 Buried
24 A F -0.2000 Soluble
25 A F 0.0000 Buried
26 S F -0.6834 Soluble
27 G F -0.9118 Soluble
28 F F -0.2304 Soluble
29 T F -0.0350 Soluble
30 F F 0.0000 Buried
35 S F -0.6907 Soluble
36 S F -0.0288 Soluble
37 Y F 0.4685 Aggregation-prone
38 G F -0.3431 Soluble
39 M F 0.0000 Buried
40 H F 0.0000 Buried
41 W F 0.0000 Buried
42 V F 0.0000 Buried
43 R F 0.0000 Buried
44 Q F 0.0000 Buried
45 A F -1.1232 Soluble
46 P F -0.8157 Soluble
47 G F -1.5005 Soluble
48 K F -2.1856 Soluble
49 G F -1.3606 Soluble
50 L F 0.0000 Buried
51 E F -0.8667 Soluble
52 W F 0.0000 Buried
53 V F 0.0000 Buried
54 A F 0.0000 Buried
55 F F 0.0000 Buried
56 I F 0.0000 Buried
57 R F -1.5665 Soluble
58 Y F -0.4064 Soluble
59 D F -1.7531 Soluble
62 G F -1.7668 Soluble
63 S F -1.5885 Soluble
64 N F -2.0782 Soluble
65 K F -1.5143 Soluble
66 Y F -0.8447 Soluble
67 Y F -0.9082 Soluble
68 A F -1.5195 Soluble
69 D F -2.6386 Soluble
70 S F -1.8859 Soluble
71 V F 0.0000 Buried
72 K F -2.5523 Soluble
74 G F -1.7254 Soluble
75 R F -1.4118 Soluble
76 F F 0.0000 Buried
77 T F -0.8171 Soluble
78 I F 0.0000 Buried
79 S F -0.9111 Soluble
80 R F -1.2266 Soluble
81 D F -1.8727 Soluble
82 N F -1.7621 Soluble
83 S F -1.5834 Soluble
84 K F -2.3806 Soluble
85 N F -1.7128 Soluble
86 T F -1.0305 Soluble
87 L F 0.0000 Buried
88 Y F -0.5236 Soluble
89 L F 0.0000 Buried
90 Q F -0.9800 Soluble
91 M F 0.0000 Buried
92 N F -1.7647 Soluble
93 S F -1.7749 Soluble
94 L F 0.0000 Buried
95 R F -2.4631 Soluble
96 A F -1.7967 Soluble
97 E F -2.2652 Soluble
98 D F 0.0000 Buried
99 T F -0.5405 Soluble
100 A F 0.0000 Buried
101 V F 0.1962 Aggregation-prone
102 Y F 0.0000 Buried
103 Y F 0.0000 Buried
104 C F 0.0000 Buried
105 K F 0.0000 Buried
106 T F 0.0000 Buried
107 H F -0.4913 Soluble
108 G F -0.6383 Soluble
114 S F -0.5101 Soluble
115 H F -1.3367 Soluble
116 D F 0.0000 Buried
117 N F -1.1905 Soluble
118 W F -0.6905 Soluble
119 G F 0.0000 Buried
120 Q F -1.0136 Soluble
121 G F 0.0000 Buried
122 T F -0.0035 Soluble
123 M F 0.5270 Aggregation-prone
124 V F 0.0000 Buried
125 T F 0.1941 Aggregation-prone
126 V F 0.0000 Buried
127 S F -0.6317 Soluble
128 S F -0.4790 Soluble
129 A F -0.2187 Soluble
130 S F -0.3995 Soluble
131 T F -0.5445 Soluble
132 K F -1.0217 Soluble
133 G F -1.3424 Soluble
134 P F 0.0000 Buried
135 S F -0.2965 Soluble
136 V F 0.0000 Buried
137 F F 0.0000 Buried
138 P F -1.0796 Soluble
139 L F 0.0000 Buried
140 A F -1.3307 Soluble
141 P F 0.0000 Buried
142 S F -0.8398 Soluble
143 G F -0.6490 Soluble
144 T F -0.4435 Soluble
145 A F -0.2856 Soluble
146 A F -0.0828 Soluble
147 L F 0.0000 Buried
148 G F 0.0000 Buried
149 C F 0.0000 Buried
150 L F 0.0000 Buried
151 V F 0.0000 Buried
152 K F -0.2631 Soluble
153 D F -0.2975 Soluble
154 Y F 0.0000 Buried
155 F F -0.0582 Soluble
156 P F -0.6067 Soluble
157 E F -0.8146 Soluble
158 P F -0.9181 Soluble
159 V F -0.7567 Soluble
160 T F -0.7290 Soluble
161 V F -0.4242 Soluble
162 S F -0.4469 Soluble
163 W F 0.0000 Buried
164 N F -0.8394 Soluble
165 S F -0.7541 Soluble
166 G F -0.5951 Soluble
167 A F -0.3189 Soluble
168 L F -0.1032 Soluble
169 T F -0.2299 Soluble
170 S F -0.2643 Soluble
171 G F -0.3026 Soluble
172 V F 0.1937 Aggregation-prone
173 H F -0.1237 Soluble
174 T F -0.0255 Soluble
175 F F 0.0000 Buried
176 P F -0.0472 Soluble
177 A F 0.1098 Aggregation-prone
178 V F 0.0000 Buried
179 L F 0.9107 Aggregation-prone
180 Q F 0.1816 Aggregation-prone
181 S F -0.5814 Soluble
182 S F -0.3514 Soluble
183 G F 0.0000 Buried
184 L F 0.1930 Aggregation-prone
185 Y F 0.3341 Aggregation-prone
186 S F 0.0000 Buried
187 L F 0.0000 Buried
188 S F 0.0000 Buried
189 S F 0.0000 Buried
190 V F 0.1487 Aggregation-prone
191 V F 0.0000 Buried
192 T F -0.1896 Soluble
193 V F 0.0000 Buried
194 P F -0.4731 Soluble
195 S F -0.5418 Soluble
196 S F -0.6357 Soluble
197 S F 0.0000 Buried
198 L F -0.8754 Soluble
199 G F -1.0724 Soluble
200 T F -0.8574 Soluble
201 Q F -1.5171 Soluble
202 T F -1.2068 Soluble
203 Y F 0.0000 Buried
204 I F -1.1680 Soluble
205 C F 0.0000 Buried
206 N F -1.5596 Soluble
207 V F 0.0000 Buried
208 N F -2.2759 Soluble
209 H F 0.0000 Buried
210 K F -2.8978 Soluble
211 P F -1.6547 Soluble
212 S F -1.8396 Soluble
213 N F -2.6326 Soluble
214 T F -2.1843 Soluble
215 K F -2.8553 Soluble
216 V F -1.8471 Soluble
217 D F -2.5471 Soluble
218 K F -2.1665 Soluble
219 K F -2.3270 Soluble
220 V F 0.0000 Buried
221 E F -2.8825 Soluble
222 P F -2.0108 Soluble
223 K F -2.3302 Soluble
1 Q E -1.0658 Soluble
2 S E 0.2254 Aggregation-prone
3 V E 1.4025 Aggregation-prone
4 L E 0.0000 Buried
5 T E 0.2461 Aggregation-prone
6 Q E 0.0000 Buried
7 P E -0.3086 Soluble
8 P E -0.5094 Soluble
9 S E -0.4526 Soluble
11 V E -0.2400 Soluble
12 S E -0.6619 Soluble
13 G E 0.0000 Buried
14 A E -1.0227 Soluble
15 P E -1.3309 Soluble
16 G E -1.7578 Soluble
17 Q E -2.4338 Soluble
18 R E -2.6454 Soluble
19 V E 0.0000 Buried
20 T E -0.5109 Soluble
21 I E 0.0000 Buried
22 S E -0.3590 Soluble
23 C E 0.0000 Buried
24 S E -0.2336 Soluble
25 G E -0.4021 Soluble
26 S E -1.0604 Soluble
27 R E -2.2233 Soluble
28 S E -1.4223 Soluble
29 N E 0.0000 Buried
30 I E 0.0000 Buried
35 G E -1.4949 Soluble
36 S E -0.9150 Soluble
37 N E -0.4027 Soluble
38 T E 0.0609 Aggregation-prone
39 V E 0.0000 Buried
40 K E 0.0000 Buried
41 W E 0.0000 Buried
42 Y E 0.0000 Buried
43 Q E 0.0000 Buried
44 Q E 0.0000 Buried
45 L E -0.5848 Soluble
46 P E -0.5122 Soluble
47 G E -0.6437 Soluble
48 T E -0.7038 Soluble
49 A E -0.8048 Soluble
50 P E 0.0000 Buried
51 K E -1.4459 Soluble
52 L E 0.0000 Buried
53 L E 0.0000 Buried
54 I E 0.0000 Buried
55 Y E -0.2646 Soluble
56 Y E 0.4344 Aggregation-prone
57 N E -0.6777 Soluble
65 D E -1.5746 Soluble
66 Q E -1.5831 Soluble
67 R E -1.6814 Soluble
68 P E -1.1861 Soluble
69 S E -0.7683 Soluble
70 G E -0.8476 Soluble
71 V E -1.1091 Soluble
72 P E -1.2860 Soluble
74 D E -2.2873 Soluble
75 R E -1.6314 Soluble
76 F E 0.0000 Buried
77 S E -1.2997 Soluble
78 G E 0.0000 Buried
79 S E -0.9303 Soluble
80 K E -0.9998 Soluble
83 S E -0.8325 Soluble
84 G E -1.2003 Soluble
85 T E -1.2670 Soluble
86 S E -0.9119 Soluble
87 A E 0.0000 Buried
88 S E -0.5992 Soluble
89 L E 0.0000 Buried
90 A E -0.6189 Soluble
91 I E 0.0000 Buried
92 T E -1.8094 Soluble
93 G E -1.6444 Soluble
94 L E 0.0000 Buried
95 Q E -1.7983 Soluble
96 A E -1.4803 Soluble
97 E E -2.1669 Soluble
98 D E 0.0000 Buried
99 E E -1.4255 Soluble
100 A E 0.0000 Buried
101 D E -0.9765 Soluble
102 Y E 0.0000 Buried
103 Y E 0.0000 Buried
104 C E 0.0000 Buried
105 Q E 0.0000 Buried
106 S E 0.0000 Buried
107 Y E -0.1152 Soluble
108 D E 0.0000 Buried
109 R E -1.3343 Soluble
110 Y E 0.2545 Aggregation-prone
112 T E -0.0511 Soluble
113 H E -0.4531 Soluble
114 P E 0.0000 Buried
115 A E -0.1486 Soluble
116 L E 0.0000 Buried
117 L E 0.3763 Aggregation-prone
118 F E 0.4082 Aggregation-prone
119 G E 0.0000 Buried
120 T E -0.1495 Soluble
121 G E -0.7186 Soluble
122 T E 0.0000 Buried
123 K E -0.7755 Soluble
124 V E 0.0000 Buried
125 T E 0.0000 Buried
126 V E 0.0000 Buried
127 L E -0.5779 Soluble
128 G E -0.8556 Soluble
129 Q E -1.1074 Soluble
130 P E -1.2208 Soluble
131 K E -2.0929 Soluble
132 A E -1.2473 Soluble
133 A E -0.6213 Soluble
134 P E 0.0000 Buried
135 S E -0.6039 Soluble
136 V E 0.0000 Buried
137 T E -0.3732 Soluble
138 L E -0.3152 Soluble
139 F E 0.0000 Buried
140 P E -0.0476 Soluble
141 P E 0.0000 Buried
142 S E -1.1619 Soluble
143 S E -1.7531 Soluble
144 E E -2.5410 Soluble
145 E E 0.0000 Buried
146 L E -1.9646 Soluble
147 Q E -2.3643 Soluble
148 A E -1.9005 Soluble
149 N E -2.5971 Soluble
150 K E -2.4284 Soluble
151 A E 0.0000 Buried
152 T E 0.0000 Buried
153 L E 0.0000 Buried
154 V E 0.0000 Buried
155 C E 0.0000 Buried
156 L E 0.0000 Buried
157 I E 0.0000 Buried
158 S E -0.8319 Soluble
159 D E -1.7714 Soluble
160 F E 0.0000 Buried
161 Y E 0.0000 Buried
162 P E 0.0000 Buried
163 G E 0.0000 Buried
164 A E -0.1175 Soluble
165 V E 0.0433 Aggregation-prone
166 T E 0.0168 Aggregation-prone
167 V E 0.2072 Aggregation-prone
168 A E -0.3387 Soluble
169 W E 0.0000 Buried
170 K E -0.9100 Soluble
171 A E 0.0000 Buried
172 D E -1.2720 Soluble
173 S E -0.8669 Soluble
174 S E -0.7242 Soluble
175 P E -0.8417 Soluble
176 V E -0.7937 Soluble
177 K E -1.6116 Soluble
178 A E -0.7650 Soluble
179 G E -0.5646 Soluble
180 V E -0.2688 Soluble
181 E E -0.2925 Soluble
182 T E 0.0103 Aggregation-prone
183 T E -0.1050 Soluble
184 T E -0.4785 Soluble
185 P E -0.6043 Soluble
186 S E -1.2636 Soluble
187 K E -2.7149 Soluble
188 Q E -2.2692 Soluble
189 S E -1.7346 Soluble
190 N E -2.4172 Soluble
191 N E -2.8652 Soluble
192 K E -2.5531 Soluble
193 Y E 0.0000 Buried
194 A E 0.0000 Buried
195 A E 0.0000 Buried
196 S E 0.0000 Buried
197 S E 0.0000 Buried
198 Y E 0.0000 Buried
199 L E 0.0000 Buried
200 S E -0.5562 Soluble
201 L E 0.0000 Buried
202 T E -1.9099 Soluble
203 P E -2.4889 Soluble
204 E E -3.2765 Soluble
205 Q E -2.6393 Soluble
206 W E 0.0000 Buried
207 K E -3.2412 Soluble
208 S E -2.5235 Soluble
209 H E -2.4562 Soluble
210 R E -2.5146 Soluble
211 S E -1.4879 Soluble
212 Y E 0.0000 Buried
213 S E 0.0000 Buried
214 C E 0.0000 Buried
215 Q E -0.8516 Soluble
216 V E 0.0000 Buried
217 T E -0.3584 Soluble
218 H E 0.0000 Buried
219 E E -1.1350 Soluble
220 G E -0.8618 Soluble
221 S E -0.6289 Soluble
222 T E -0.4751 Soluble
223 V E -0.5896 Soluble
224 E E -1.7769 Soluble
225 K E -1.6442 Soluble
226 T E -0.9130 Soluble
227 V E -0.3525 Soluble
228 A E -0.8144 Soluble
229 P E -0.9885 Soluble
230 T E -0.6324 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 -0.7289 2.0645 CSV PDB
4.5 -0.7628 2.036 CSV PDB
5.0 -0.8006 1.9977 CSV PDB
5.5 -0.8343 1.9549 CSV PDB
6.0 -0.8545 1.9118 CSV PDB
6.5 -0.8543 1.8715 CSV PDB
7.0 -0.835 1.8359 CSV PDB
7.5 -0.8036 1.8043 CSV PDB
8.0 -0.7655 1.7752 CSV PDB
8.5 -0.7223 1.7484 CSV PDB
9.0 -0.6746 1.8842 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH