Briakinumab / 5njd

A4DAB055_5njd_V_U | Source PDB: 5njd | Chains: V, U | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6857
Max Score
1.3783
Min Score
-2.944
Total Score
-288.01
Score CDR
-0.5616
Score non-CDR
-0.7014

Calculation Parameters

Chain Sequence(s) QVQLVESGGGVVQPGRSLRLSCAASGFTFSSYGMHWVRQAPGKGLEWVAFIRYDGSNKYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCKTHGSHDNWGQGTMVTVSSASTKGPSVFPLAPSSTAALGCLVKDYFPEPVTVSWNSGSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEQSVLTQPPSVSGAPGQRVTISCSGSRSNIGSNTVKWYQQLPGTAPKLLIYYNDQRPSGVPDRFSGSKSGTSASLAITGLQAEDEADYYCQSYDRYTHPALLFGTGTKVTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTE input.pdb
Selected Chain(s) V (Heavy), U (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 -2.944
Maximum Score 1.3783
Average Score -0.6857
Total Score -288.0111

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

Index Residue Chain A4D Score Classification
1 Q V -1.3015 Soluble
2 V V -0.8056 Soluble
3 Q V -1.2464 Soluble
4 L V 0.0000 Buried
5 V V 0.3112 Aggregation-prone
6 E V 0.0000 Buried
7 S V -0.5246 Soluble
8 G V -0.9431 Soluble
9 G V -0.4837 Soluble
11 G V -0.1787 Soluble
12 V V 0.2759 Aggregation-prone
13 V V -0.5203 Soluble
14 Q V -1.2327 Soluble
15 P V -1.7760 Soluble
16 G V -2.0246 Soluble
17 R V -2.5489 Soluble
18 S V -1.9995 Soluble
19 L V -1.4314 Soluble
20 R V -2.2295 Soluble
21 L V 0.0000 Buried
22 S V -0.5913 Soluble
23 C V 0.0000 Buried
24 A V -0.2904 Soluble
25 A V -0.5241 Soluble
26 S V -0.6039 Soluble
27 G V -0.7165 Soluble
28 F V 0.0756 Aggregation-prone
29 T V 0.0855 Aggregation-prone
30 F V 0.0000 Buried
35 S V -0.5022 Soluble
36 S V 0.3060 Aggregation-prone
37 Y V 1.0236 Aggregation-prone
38 G V 0.0000 Buried
39 M V 0.0000 Buried
40 H V 0.0000 Buried
41 W V 0.0000 Buried
42 V V 0.0000 Buried
43 R V 0.0000 Buried
44 Q V 0.0000 Buried
45 A V -1.1288 Soluble
46 P V -0.9539 Soluble
47 G V -1.4892 Soluble
48 K V -2.2179 Soluble
49 G V -1.4462 Soluble
50 L V 0.0000 Buried
51 E V -1.0244 Soluble
52 W V 0.0000 Buried
53 V V 0.0000 Buried
54 A V 0.0000 Buried
55 F V 0.0000 Buried
56 I V 0.0000 Buried
57 R V -0.8056 Soluble
58 Y V 0.1708 Aggregation-prone
59 D V -1.4796 Soluble
62 G V -1.4854 Soluble
63 S V -1.4003 Soluble
64 N V -1.7949 Soluble
65 K V -1.5335 Soluble
66 Y V -0.7497 Soluble
67 Y V -0.8186 Soluble
68 A V -1.5830 Soluble
69 D V -2.7236 Soluble
70 S V -1.9357 Soluble
71 V V 0.0000 Buried
72 K V -2.5693 Soluble
74 G V -1.7156 Soluble
75 R V -1.5851 Soluble
76 F V 0.0000 Buried
77 T V -0.9977 Soluble
78 I V 0.0000 Buried
79 S V -0.7102 Soluble
80 R V -1.2179 Soluble
81 D V -1.9497 Soluble
82 N V -1.8566 Soluble
83 S V -1.7022 Soluble
84 K V -2.4975 Soluble
85 N V -1.9130 Soluble
86 T V -1.1528 Soluble
87 L V 0.0000 Buried
88 Y V 0.0000 Buried
89 L V 0.0000 Buried
90 Q V -1.5738 Soluble
91 M V 0.0000 Buried
92 N V -1.8215 Soluble
93 S V -1.6615 Soluble
94 L V 0.0000 Buried
95 R V -2.4138 Soluble
96 A V -1.6194 Soluble
97 E V -2.2286 Soluble
98 D V 0.0000 Buried
99 T V -0.6917 Soluble
100 A V 0.0000 Buried
101 V V 0.1708 Aggregation-prone
102 Y V 0.0000 Buried
103 Y V 0.0000 Buried
104 C V 0.0000 Buried
105 K V 0.0000 Buried
106 T V -0.3526 Soluble
107 H V -0.4107 Soluble
108 G V -0.6473 Soluble
114 S V -0.5822 Soluble
115 H V -1.2679 Soluble
116 D V 0.0000 Buried
117 N V -1.1173 Soluble
118 W V -0.5896 Soluble
119 G V 0.0000 Buried
120 Q V -1.1025 Soluble
121 G V 0.0000 Buried
122 T V -0.1359 Soluble
123 M V -0.0398 Soluble
124 V V 0.0000 Buried
125 T V 0.0000 Buried
126 V V 0.0000 Buried
127 S V -0.5704 Soluble
128 S V -0.3967 Soluble
129 A V -0.2768 Soluble
130 S V -0.3978 Soluble
131 T V -0.6310 Soluble
132 K V -1.0364 Soluble
133 G V -1.3920 Soluble
134 P V -0.6301 Soluble
135 S V -0.3139 Soluble
136 V V 0.0000 Buried
137 F V -0.6369 Soluble
138 P V -1.0178 Soluble
139 L V 0.0000 Buried
140 A V -0.8309 Soluble
141 P V -0.4956 Soluble
142 S V -0.5139 Soluble
143 S V -0.3670 Soluble
144 T V -0.2621 Soluble
145 A V -0.2226 Soluble
146 A V 0.0920 Aggregation-prone
147 L V 0.0000 Buried
148 G V 0.0000 Buried
149 C V 0.0000 Buried
150 L V 0.0000 Buried
151 V V 0.0000 Buried
152 K V -0.3208 Soluble
153 D V -0.3571 Soluble
154 Y V 0.0000 Buried
155 F V -0.1613 Soluble
156 P V 0.0000 Buried
157 E V -0.7897 Soluble
158 P V -0.8133 Soluble
159 V V -0.4964 Soluble
160 T V -0.6740 Soluble
161 V V -0.3392 Soluble
162 S V -0.4042 Soluble
163 W V 0.1112 Aggregation-prone
164 N V -0.6307 Soluble
165 S V -0.5377 Soluble
166 G V -0.8288 Soluble
167 S V -0.1704 Soluble
168 G V 0.2143 Aggregation-prone
169 V V 1.3604 Aggregation-prone
170 H V 0.3811 Aggregation-prone
171 T V 0.1055 Aggregation-prone
172 F V 0.0000 Buried
173 P V -0.0161 Soluble
174 A V 0.2340 Aggregation-prone
175 V V 0.0000 Buried
176 L V 1.3783 Aggregation-prone
177 Q V 0.3868 Aggregation-prone
178 S V -0.0685 Soluble
179 S V -0.1542 Soluble
180 G V 0.1365 Aggregation-prone
181 L V 0.2642 Aggregation-prone
182 Y V 0.3775 Aggregation-prone
183 S V 0.0000 Buried
184 L V 0.0000 Buried
185 S V 0.0000 Buried
186 S V 0.0000 Buried
187 V V 0.0000 Buried
188 V V 0.0000 Buried
189 T V 0.1919 Aggregation-prone
190 V V 0.0000 Buried
191 P V -0.3625 Soluble
192 S V -0.4071 Soluble
193 S V -0.4277 Soluble
194 S V -0.4664 Soluble
195 L V -0.4403 Soluble
196 G V -0.8259 Soluble
197 T V -0.5603 Soluble
198 Q V -1.1493 Soluble
199 T V -1.0714 Soluble
200 Y V 0.0000 Buried
201 I V -1.3174 Soluble
202 C V 0.0000 Buried
203 N V -1.6154 Soluble
204 V V 0.0000 Buried
205 N V -2.2325 Soluble
206 H V 0.0000 Buried
207 K V -2.8512 Soluble
208 P V -1.5694 Soluble
209 S V -1.7993 Soluble
210 N V -2.6552 Soluble
211 T V -2.2045 Soluble
212 K V -2.7832 Soluble
213 V V -1.6727 Soluble
214 D V -2.3712 Soluble
215 K V -2.0162 Soluble
216 K V -2.5344 Soluble
217 V V 0.0000 Buried
218 E V -2.2971 Soluble
1 Q U -1.3427 Soluble
2 S U 0.0529 Aggregation-prone
3 V U 1.2472 Aggregation-prone
4 L U 0.0000 Buried
5 T U 0.1703 Aggregation-prone
6 Q U 0.0000 Buried
7 P U -0.3913 Soluble
8 P U -0.6380 Soluble
9 S U -0.6598 Soluble
11 V U -0.2960 Soluble
12 S U -0.5061 Soluble
13 G U -0.8455 Soluble
14 A U -0.9657 Soluble
15 P U -1.4417 Soluble
16 G U -1.8165 Soluble
17 Q U -2.5409 Soluble
18 R U -2.6136 Soluble
19 V U -1.1132 Soluble
20 T U -0.4382 Soluble
21 I U 0.0000 Buried
22 S U -0.3043 Soluble
23 C U 0.0000 Buried
24 S U -0.2725 Soluble
25 G U -0.6101 Soluble
26 S U -1.3538 Soluble
27 R U -2.4470 Soluble
28 S U -1.3437 Soluble
29 N U 0.0000 Buried
30 I U 0.0000 Buried
35 G U -1.8175 Soluble
36 S U -1.2968 Soluble
37 N U -0.9022 Soluble
38 T U -0.1279 Soluble
39 V U 0.0000 Buried
40 K U 0.0000 Buried
41 W U 0.0000 Buried
42 Y U 0.0000 Buried
43 Q U 0.0000 Buried
44 Q U 0.0000 Buried
45 L U -0.1639 Soluble
46 P U -0.4513 Soluble
47 G U -0.5751 Soluble
48 T U -0.5499 Soluble
49 A U -0.5673 Soluble
50 P U 0.0000 Buried
51 K U -0.7760 Soluble
52 L U -0.7067 Soluble
53 L U 0.0000 Buried
54 I U 0.0000 Buried
55 Y U -0.3970 Soluble
56 Y U 0.3142 Aggregation-prone
57 N U -0.9690 Soluble
65 D U -2.2234 Soluble
66 Q U -1.7287 Soluble
67 R U -2.1863 Soluble
68 P U -1.2675 Soluble
69 S U -0.9926 Soluble
70 G U -0.9578 Soluble
71 V U 0.0000 Buried
72 P U -1.4681 Soluble
74 D U -2.3751 Soluble
75 R U -1.7373 Soluble
76 F U 0.0000 Buried
77 S U -1.5069 Soluble
78 G U -1.2118 Soluble
79 S U -1.0840 Soluble
80 K U -1.1176 Soluble
83 S U -0.8220 Soluble
84 G U -1.1946 Soluble
85 T U -1.2401 Soluble
86 S U -0.8539 Soluble
87 A U 0.0000 Buried
88 S U -0.6124 Soluble
89 L U 0.0000 Buried
90 A U -0.5656 Soluble
91 I U 0.0000 Buried
92 T U -1.7190 Soluble
93 G U -1.6505 Soluble
94 L U 0.0000 Buried
95 Q U -1.9699 Soluble
96 A U -1.5950 Soluble
97 E U -2.2801 Soluble
98 D U 0.0000 Buried
99 E U 0.0000 Buried
100 A U 0.0000 Buried
101 D U -0.7122 Soluble
102 Y U 0.0000 Buried
103 Y U 0.0000 Buried
104 C U 0.0000 Buried
105 Q U 0.0000 Buried
106 S U 0.0000 Buried
107 Y U -0.1580 Soluble
108 D U -0.9098 Soluble
109 R U -1.2313 Soluble
110 Y U 0.3843 Aggregation-prone
112 T U -0.3707 Soluble
113 H U -0.8618 Soluble
114 P U 0.0000 Buried
115 A U 0.0000 Buried
116 L U 0.0000 Buried
117 L U 0.0000 Buried
118 F U 0.0000 Buried
119 G U 0.0000 Buried
120 T U -0.1817 Soluble
121 G U 0.0000 Buried
122 T U 0.0000 Buried
123 K U -1.1004 Soluble
124 V U 0.0000 Buried
125 T U -0.1459 Soluble
126 V U 0.0000 Buried
127 L U 0.1976 Aggregation-prone
128 G U -0.5860 Soluble
129 Q U -0.8708 Soluble
130 P U -1.2146 Soluble
131 K U -2.1543 Soluble
132 A U -1.3696 Soluble
133 A U -0.7652 Soluble
134 P U -0.3139 Soluble
135 S U -0.3604 Soluble
136 V U 0.0000 Buried
137 T U -0.3881 Soluble
138 L U -0.2779 Soluble
139 F U 0.0000 Buried
140 P U -0.0805 Soluble
141 P U 0.0000 Buried
142 S U -0.9891 Soluble
143 S U -1.6880 Soluble
144 E U -2.5581 Soluble
145 E U 0.0000 Buried
146 L U -2.1904 Soluble
147 Q U -2.4473 Soluble
148 A U -1.9837 Soluble
149 N U -2.8320 Soluble
150 K U -2.9440 Soluble
151 A U 0.0000 Buried
152 T U 0.0000 Buried
153 L U 0.0000 Buried
154 V U 0.0000 Buried
155 C U 0.0000 Buried
156 L U 0.0000 Buried
157 I U 0.0000 Buried
158 S U 0.0000 Buried
159 D U -1.2395 Soluble
160 F U 0.0000 Buried
161 Y U 0.0000 Buried
162 P U -0.9073 Soluble
163 G U -0.5362 Soluble
164 A U -0.1797 Soluble
165 V U -0.0674 Soluble
166 T U 0.0328 Aggregation-prone
167 V U 0.0804 Aggregation-prone
168 A U -0.4419 Soluble
169 W U 0.0000 Buried
170 K U -1.1835 Soluble
171 A U 0.0000 Buried
172 D U -2.0606 Soluble
173 S U -1.2610 Soluble
174 S U -0.9694 Soluble
175 P U -1.0264 Soluble
176 V U -1.0322 Soluble
177 K U -1.6268 Soluble
178 A U -0.8390 Soluble
179 G U -0.6259 Soluble
180 V U -0.2437 Soluble
181 E U -0.0712 Soluble
182 T U 0.1092 Aggregation-prone
183 T U 0.0649 Aggregation-prone
184 T U -0.1458 Soluble
185 P U -0.2749 Soluble
186 S U -0.4710 Soluble
187 K U -1.0707 Soluble
188 Q U -1.2693 Soluble
189 S U -1.3667 Soluble
190 N U -2.0139 Soluble
191 N U 0.0000 Buried
192 K U -1.6412 Soluble
193 Y U -0.9044 Soluble
194 A U 0.0000 Buried
195 A U 0.0000 Buried
196 S U 0.0000 Buried
197 S U 0.0000 Buried
198 Y U 0.0000 Buried
199 L U 0.0000 Buried
200 S U -0.5212 Soluble
201 L U 0.0000 Buried
202 T U -1.7316 Soluble
203 P U -2.3705 Soluble
204 E U -2.9388 Soluble
205 Q U -2.1225 Soluble
206 W U 0.0000 Buried
207 K U -2.7673 Soluble
208 S U -2.1976 Soluble
209 H U -2.4844 Soluble
210 R U -2.7777 Soluble
211 S U -1.7583 Soluble
212 Y U 0.0000 Buried
213 S U 0.0000 Buried
214 C U 0.0000 Buried
215 Q U -0.9655 Soluble
216 V U 0.0000 Buried
217 T U -0.6854 Soluble
218 H U 0.0000 Buried
219 E U -2.2819 Soluble
220 G U -1.3963 Soluble
221 S U -0.9265 Soluble
222 T U -0.7656 Soluble
223 V U -0.8026 Soluble
224 E U -2.0029 Soluble
225 K U -1.6261 Soluble
226 T U -0.9961 Soluble
227 V U -0.3968 Soluble
228 A U -1.0373 Soluble
229 P U -1.2312 Soluble
230 T U -1.3077 Soluble
231 E U -1.9157 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 -0.7356 1.956 CSV PDB
4.5 -0.7728 1.9394 CSV PDB
5.0 -0.8148 1.9221 CSV PDB
5.5 -0.8531 1.9053 CSV PDB
6.0 -0.8782 1.8903 CSV PDB
6.5 -0.8833 1.8789 CSV PDB
7.0 -0.8695 1.8722 CSV PDB
7.5 -0.8439 1.8692 CSV PDB
8.0 -0.8119 1.8694 CSV PDB
8.5 -0.7749 1.8737 CSV PDB
9.0 -0.7327 1.8832 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH