Briakinumab / 5n2k

A4DAB055_5n2k_P_O | Source PDB: 5n2k | Chains: P, O | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6665
Max Score
1.7642
Min Score
-3.1446
Total Score
-277.95
Score CDR
-0.6317
Score non-CDR
-0.671

Calculation Parameters

Chain Sequence(s) QVQLVESGGGVVQPGRSLRLSCAASGFTFSSYGMHWVRQAPGKGLEWVAFIRYDGSNKYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCKTHGSHDNWGQGTMVTVSSASTKGPSVFPLAPSTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSLGTQTYICNVNHKPSNTKVDKKVEPKQSVLTQPPSVSGAPGQRVTISCSGSRSNIGSNTVKWYQQLPGTAPKLLIYYNDQRPSGVPDRFSGSKSGTSASLAITGLQAEDEADYYCQSYDRYTHPALLFGTGTKVTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAP input.pdb
Selected Chain(s) P (Heavy), O (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 -3.1446
Maximum Score 1.7642
Average Score -0.6665
Total Score -277.9456

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

Index Residue Chain A4D Score Classification
1 Q P -1.2344 Soluble
2 V P -0.5887 Soluble
3 Q P -1.2125 Soluble
4 L P 0.0000 Buried
5 V P 0.2437 Aggregation-prone
6 E P 0.0000 Buried
7 S P -0.4784 Soluble
8 G P -0.8724 Soluble
9 G P -0.1210 Soluble
11 G P 0.7119 Aggregation-prone
12 V P 1.6645 Aggregation-prone
13 V P 0.0223 Aggregation-prone
14 Q P -1.0985 Soluble
15 P P -1.7069 Soluble
16 G P -2.0061 Soluble
17 R P -2.5881 Soluble
18 S P -1.7858 Soluble
19 L P -1.1639 Soluble
20 R P -1.7739 Soluble
21 L P 0.0000 Buried
22 S P -0.4335 Soluble
23 C P 0.0000 Buried
24 A P -0.3397 Soluble
25 A P 0.0000 Buried
26 S P -0.8049 Soluble
27 G P -0.8009 Soluble
28 F P -0.1546 Soluble
29 T P 0.0873 Aggregation-prone
30 F P 0.0000 Buried
35 S P -0.7641 Soluble
36 S P -0.0468 Soluble
37 Y P 0.4347 Aggregation-prone
38 G P -0.3844 Soluble
39 M P 0.0000 Buried
40 H P 0.0000 Buried
41 W P 0.0000 Buried
42 V P 0.0000 Buried
43 R P 0.0000 Buried
44 Q P -0.8183 Soluble
45 A P -1.1804 Soluble
46 P P -0.8507 Soluble
47 G P -1.5206 Soluble
48 K P -2.2394 Soluble
49 G P -1.4079 Soluble
50 L P 0.0000 Buried
51 E P -1.0302 Soluble
52 W P 0.0000 Buried
53 V P 0.0000 Buried
54 A P 0.0000 Buried
55 F P 0.0000 Buried
56 I P 0.0000 Buried
57 R P -1.6126 Soluble
58 Y P -0.4822 Soluble
59 D P -1.8301 Soluble
62 G P -1.8174 Soluble
63 S P -1.6162 Soluble
64 N P -2.0956 Soluble
65 K P -1.5027 Soluble
66 Y P -0.7737 Soluble
67 Y P -0.8409 Soluble
68 A P -1.4885 Soluble
69 D P -2.6214 Soluble
70 S P -1.8541 Soluble
71 V P 0.0000 Buried
72 K P -2.5549 Soluble
74 G P -1.7661 Soluble
75 R P -1.5085 Soluble
76 F P 0.0000 Buried
77 T P -0.8286 Soluble
78 I P 0.0000 Buried
79 S P -0.9269 Soluble
80 R P -1.2876 Soluble
81 D P -1.9531 Soluble
82 N P -1.9129 Soluble
83 S P -1.6660 Soluble
84 K P -2.4836 Soluble
85 N P -1.8535 Soluble
86 T P 0.0000 Buried
87 L P 0.0000 Buried
88 Y P -0.5135 Soluble
89 L P 0.0000 Buried
90 Q P -1.0326 Soluble
91 M P 0.0000 Buried
92 N P -1.7753 Soluble
93 S P -1.6737 Soluble
94 L P 0.0000 Buried
95 R P -2.2985 Soluble
96 A P -1.6849 Soluble
97 E P -2.2432 Soluble
98 D P 0.0000 Buried
99 T P -0.5155 Soluble
100 A P 0.0000 Buried
101 V P 0.2072 Aggregation-prone
102 Y P 0.0000 Buried
103 Y P 0.0000 Buried
104 C P 0.0000 Buried
105 K P 0.0000 Buried
106 T P 0.0000 Buried
107 H P -0.5073 Soluble
108 G P -0.6601 Soluble
114 S P -0.5750 Soluble
115 H P -1.3687 Soluble
116 D P -1.0331 Soluble
117 N P -1.1238 Soluble
118 W P -0.6660 Soluble
119 G P 0.0000 Buried
120 Q P -1.1202 Soluble
121 G P -0.3476 Soluble
122 T P 0.0097 Aggregation-prone
123 M P 0.6188 Aggregation-prone
124 V P 0.0000 Buried
125 T P 0.3345 Aggregation-prone
126 V P 0.0000 Buried
127 S P -0.4570 Soluble
128 S P -0.3106 Soluble
129 A P -0.1598 Soluble
130 S P -0.3992 Soluble
131 T P -0.5294 Soluble
132 K P -0.9689 Soluble
133 G P -1.2299 Soluble
134 P P 0.0000 Buried
135 S P -0.1956 Soluble
136 V P 0.0000 Buried
137 F P 0.0000 Buried
138 P P -0.9198 Soluble
139 L P 0.0000 Buried
140 A P -1.2553 Soluble
141 P P 0.0000 Buried
142 S P -0.8420 Soluble
143 T P -0.2459 Soluble
144 A P -0.1779 Soluble
145 A P -0.0760 Soluble
146 L P 0.0000 Buried
147 G P 0.0000 Buried
148 C P 0.0000 Buried
149 L P 0.0000 Buried
150 V P 0.0000 Buried
151 K P 0.0000 Buried
152 D P -0.0686 Soluble
153 Y P 0.0000 Buried
154 F P -0.0157 Soluble
155 P P -0.5592 Soluble
156 E P -0.6499 Soluble
157 P P -0.8328 Soluble
158 V P -0.7200 Soluble
159 T P -0.6584 Soluble
160 V P -0.3972 Soluble
161 S P -0.4152 Soluble
162 W P 0.0000 Buried
163 N P -0.7556 Soluble
164 S P -0.6514 Soluble
165 G P -0.4175 Soluble
166 A P -0.2169 Soluble
167 L P -0.0563 Soluble
168 T P -0.2225 Soluble
169 S P -0.3163 Soluble
170 G P -0.3908 Soluble
171 V P 0.1085 Aggregation-prone
172 H P -0.1956 Soluble
173 T P -0.0745 Soluble
174 F P 0.0000 Buried
175 P P -0.1950 Soluble
176 A P 0.2410 Aggregation-prone
177 V P 0.0000 Buried
178 L P 1.1640 Aggregation-prone
179 Q P 0.4047 Aggregation-prone
180 S P -0.4443 Soluble
181 S P -0.0990 Soluble
182 G P 0.0000 Buried
183 L P 0.3447 Aggregation-prone
184 Y P 0.5352 Aggregation-prone
185 S P 0.0000 Buried
186 L P 0.0000 Buried
187 S P 0.0000 Buried
188 S P 0.0000 Buried
189 V P 0.1312 Aggregation-prone
190 V P 0.0000 Buried
191 T P -0.2453 Soluble
192 V P 0.0000 Buried
193 P P -0.3404 Soluble
194 S P -0.3586 Soluble
195 L P -0.6709 Soluble
196 G P -0.9575 Soluble
197 T P -0.7360 Soluble
198 Q P -1.3020 Soluble
199 T P -1.1093 Soluble
200 Y P 0.0000 Buried
201 I P -1.1810 Soluble
202 C P 0.0000 Buried
203 N P -1.4707 Soluble
204 V P 0.0000 Buried
205 N P -2.1117 Soluble
206 H P 0.0000 Buried
207 K P -2.8291 Soluble
208 P P -1.6175 Soluble
209 S P -1.7846 Soluble
210 N P -2.6319 Soluble
211 T P -2.0997 Soluble
212 K P -2.7459 Soluble
213 V P -1.5977 Soluble
214 D P -2.4954 Soluble
215 K P -2.0514 Soluble
216 K P -2.1446 Soluble
217 V P 0.0000 Buried
218 E P -2.6442 Soluble
219 P P -1.9045 Soluble
220 K P -2.2852 Soluble
1 Q O -1.0885 Soluble
2 S O 0.1759 Aggregation-prone
3 V O 1.3879 Aggregation-prone
4 L O 0.0000 Buried
5 T O 0.2468 Aggregation-prone
6 Q O 0.0000 Buried
7 P O -0.3456 Soluble
8 P O -0.4618 Soluble
9 S O -0.6605 Soluble
11 V O -0.4113 Soluble
12 S O -0.8407 Soluble
13 G O 0.0000 Buried
14 A O -1.0544 Soluble
15 P O -1.5571 Soluble
16 G O -1.7751 Soluble
17 Q O -2.4507 Soluble
18 R O -2.6453 Soluble
19 V O 0.0000 Buried
20 T O -0.5287 Soluble
21 I O 0.0000 Buried
22 S O -0.3759 Soluble
23 C O 0.0000 Buried
24 S O -0.1829 Soluble
25 G O -0.3897 Soluble
26 S O -1.0525 Soluble
27 R O -2.4017 Soluble
28 S O -1.5058 Soluble
29 N O 0.0000 Buried
30 I O 0.0000 Buried
35 G O -1.3754 Soluble
36 S O -0.9206 Soluble
37 N O -0.4835 Soluble
38 T O 0.0763 Aggregation-prone
39 V O 0.0000 Buried
40 K O 0.0000 Buried
41 W O 0.0000 Buried
42 Y O 0.0000 Buried
43 Q O 0.0000 Buried
44 Q O 0.0000 Buried
45 L O -0.4480 Soluble
46 P O -0.4670 Soluble
47 G O -0.6671 Soluble
48 T O -0.6911 Soluble
49 A O -0.7704 Soluble
50 P O 0.0000 Buried
51 K O -1.3041 Soluble
52 L O -0.8358 Soluble
53 L O 0.0000 Buried
54 I O 0.0000 Buried
55 Y O -0.2938 Soluble
56 Y O 0.4146 Aggregation-prone
57 N O -0.7710 Soluble
65 D O -1.8342 Soluble
66 Q O -1.6040 Soluble
67 R O -1.6885 Soluble
68 P O -1.1560 Soluble
69 S O -0.7444 Soluble
70 G O -0.8327 Soluble
71 V O -1.0077 Soluble
72 P O -1.2556 Soluble
74 D O -2.2391 Soluble
75 R O -1.5809 Soluble
76 F O 0.0000 Buried
77 S O -1.3495 Soluble
78 G O -1.0951 Soluble
79 S O -1.0158 Soluble
80 K O -1.0101 Soluble
83 S O -0.7855 Soluble
84 G O -1.1509 Soluble
85 T O -1.2037 Soluble
86 S O -0.8597 Soluble
87 A O 0.0000 Buried
88 S O -0.6396 Soluble
89 L O 0.0000 Buried
90 A O -0.6196 Soluble
91 I O 0.0000 Buried
92 T O -1.7842 Soluble
93 G O -1.6782 Soluble
94 L O 0.0000 Buried
95 Q O -1.7950 Soluble
96 A O -1.5050 Soluble
97 E O -2.1947 Soluble
98 D O 0.0000 Buried
99 E O -1.3802 Soluble
100 A O 0.0000 Buried
101 D O -0.7503 Soluble
102 Y O 0.0000 Buried
103 Y O 0.0000 Buried
104 C O 0.0000 Buried
105 Q O 0.0000 Buried
106 S O 0.0000 Buried
107 Y O -0.2543 Soluble
108 D O -1.0730 Soluble
109 R O -1.6111 Soluble
110 Y O 0.2291 Aggregation-prone
112 T O -0.0716 Soluble
113 H O -0.4513 Soluble
114 P O 0.0000 Buried
115 A O -0.1263 Soluble
116 L O 0.0000 Buried
117 L O 0.3240 Aggregation-prone
118 F O 0.3762 Aggregation-prone
119 G O 0.0000 Buried
120 T O -0.1552 Soluble
121 G O -0.6723 Soluble
122 T O 0.0000 Buried
123 K O -0.8682 Soluble
124 V O 0.0000 Buried
125 T O 0.0000 Buried
126 V O 0.0000 Buried
127 L O -0.6921 Soluble
128 G O -0.7454 Soluble
129 Q O -1.1127 Soluble
130 P O -1.1932 Soluble
131 K O -2.1731 Soluble
132 A O -1.3318 Soluble
133 A O -0.7909 Soluble
134 P O 0.0000 Buried
135 S O -0.5776 Soluble
136 V O 0.0000 Buried
137 T O -0.3107 Soluble
138 L O -0.2535 Soluble
139 F O 0.0000 Buried
140 P O -0.0885 Soluble
141 P O 0.0000 Buried
142 S O -1.0008 Soluble
143 S O -1.5536 Soluble
144 E O -2.1256 Soluble
145 E O 0.0000 Buried
146 L O -1.7075 Soluble
147 Q O -2.1378 Soluble
148 A O -1.6122 Soluble
149 N O -2.2745 Soluble
150 K O -1.8016 Soluble
151 A O 0.0000 Buried
152 T O 0.0000 Buried
153 L O 0.0000 Buried
154 V O 0.0000 Buried
155 C O 0.0000 Buried
156 L O 0.0000 Buried
157 I O 0.0000 Buried
158 S O -0.8336 Soluble
159 D O -1.8136 Soluble
160 F O 0.0000 Buried
161 Y O 0.0000 Buried
162 P O 0.0000 Buried
163 G O -1.0555 Soluble
164 A O -0.3438 Soluble
165 V O -0.1536 Soluble
166 T O -0.1738 Soluble
167 V O 0.1916 Aggregation-prone
168 A O 0.2886 Aggregation-prone
169 W O 0.0000 Buried
170 K O -0.3027 Soluble
171 A O 0.0000 Buried
172 D O -1.0424 Soluble
173 S O -0.6462 Soluble
174 S O -0.1350 Soluble
175 P O 0.3118 Aggregation-prone
176 V O 1.7642 Aggregation-prone
177 V O 1.5674 Aggregation-prone
178 E O 0.0780 Aggregation-prone
179 T O 0.1232 Aggregation-prone
180 T O -0.1363 Soluble
181 T O -0.6318 Soluble
182 P O -0.5584 Soluble
183 S O -1.1955 Soluble
184 K O -2.6080 Soluble
185 Q O -2.1312 Soluble
186 S O -1.6095 Soluble
187 N O -2.1917 Soluble
188 N O -2.6831 Soluble
189 K O -2.3892 Soluble
190 Y O -1.5847 Soluble
191 A O 0.0000 Buried
192 A O 0.0000 Buried
193 S O 0.0000 Buried
194 S O 0.0000 Buried
195 Y O 0.0000 Buried
196 L O 0.0000 Buried
197 S O -0.0420 Soluble
198 L O 0.0000 Buried
199 T O -1.5043 Soluble
200 P O -2.1537 Soluble
201 E O -2.9788 Soluble
202 Q O -2.1253 Soluble
203 W O 0.0000 Buried
204 K O -3.1446 Soluble
205 S O -2.3958 Soluble
206 H O -2.3603 Soluble
207 R O -2.5291 Soluble
208 S O -1.4994 Soluble
209 Y O 0.0000 Buried
210 S O 0.0000 Buried
211 C O 0.0000 Buried
212 Q O -0.9900 Soluble
213 V O 0.0000 Buried
214 T O -0.6936 Soluble
215 H O 0.0000 Buried
216 E O -2.2742 Soluble
217 G O -1.4309 Soluble
218 S O -1.0112 Soluble
219 T O -0.7281 Soluble
220 V O -0.6491 Soluble
221 E O -1.8941 Soluble
222 K O -1.5307 Soluble
223 T O -0.8370 Soluble
224 V O -0.3196 Soluble
225 A O -0.8180 Soluble
226 P O -1.0949 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 -0.6726 2.1969 CSV PDB
4.5 -0.7092 2.1905 CSV PDB
5.0 -0.7508 2.1842 CSV PDB
5.5 -0.7892 2.1796 CSV PDB
6.0 -0.8144 2.1796 CSV PDB
6.5 -0.8194 2.1878 CSV PDB
7.0 -0.8056 2.2044 CSV PDB
7.5 -0.7802 2.2264 CSV PDB
8.0 -0.7483 2.2511 CSV PDB
8.5 -0.7114 2.2777 CSV PDB
9.0 -0.6696 2.3064 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH