Briakinumab / 5njd

A4DAB055_5njd_T_S | Source PDB: 5njd | Chains: T, S | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7068
Max Score
1.5013
Min Score
-3.2066
Total Score
-298.29
Score CDR
-0.6293
Score non-CDR
-0.7166

Calculation Parameters

Chain Sequence(s) QVQLVESGGGVVQPGRSLRLSCAASGFTFSSYGMHWVRQAPGKGLEWVAFIRYDGSNKYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCKTHGSHDNWGQGTMVTVSSASTKGPSVFPLAPSTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPSVLTQPPSVSGAPGQRVTISCSGSRSNIGSNTVKWYQQLPGTAPKLLIYYNDQRPSGVPDRFSGSKSGTSASLAITGLQAEDEADYYCQSYDRYTHPALLFGTGTKVTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTE input.pdb
Selected Chain(s) T (Heavy), S (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 -3.2066
Maximum Score 1.5013
Average Score -0.7068
Total Score -298.2859

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

Index Residue Chain A4D Score Classification
1 Q T -1.1365 Soluble
2 V T -0.4739 Soluble
3 Q T -1.1489 Soluble
4 L T 0.0000 Buried
5 V T 0.3815 Aggregation-prone
6 E T 0.0000 Buried
7 S T -0.4877 Soluble
8 G T -0.9305 Soluble
9 G T -0.4822 Soluble
11 G T -0.1170 Soluble
12 V T 0.3290 Aggregation-prone
13 V T -0.5927 Soluble
14 Q T -1.3758 Soluble
15 P T -1.8417 Soluble
16 G T -2.0362 Soluble
17 R T -2.5725 Soluble
18 S T -1.9220 Soluble
19 L T -1.3304 Soluble
20 R T -2.0409 Soluble
21 L T 0.0000 Buried
22 S T -0.4565 Soluble
23 C T 0.0000 Buried
24 A T -0.2323 Soluble
25 A T -0.4494 Soluble
26 S T -0.5170 Soluble
27 G T -0.6304 Soluble
28 F T 0.0604 Aggregation-prone
29 T T 0.0230 Aggregation-prone
30 F T 0.0000 Buried
35 S T -0.6904 Soluble
36 S T 0.1437 Aggregation-prone
37 Y T 0.6926 Aggregation-prone
38 G T 0.0000 Buried
39 M T 0.0000 Buried
40 H T 0.0000 Buried
41 W T 0.0000 Buried
42 V T 0.0000 Buried
43 R T 0.0000 Buried
44 Q T -0.8098 Soluble
45 A T -1.1251 Soluble
46 P T -0.9836 Soluble
47 G T -1.5082 Soluble
48 K T -2.2283 Soluble
49 G T -1.4190 Soluble
50 L T 0.0000 Buried
51 E T -0.8138 Soluble
52 W T 0.0000 Buried
53 V T 0.0000 Buried
54 A T 0.0000 Buried
55 F T 0.0000 Buried
56 I T 0.0000 Buried
57 R T -1.1917 Soluble
58 Y T -0.2276 Soluble
59 D T -1.6203 Soluble
62 G T -1.6606 Soluble
63 S T -1.4497 Soluble
64 N T -1.8996 Soluble
65 K T -1.6611 Soluble
66 Y T -0.7816 Soluble
67 Y T -0.7561 Soluble
68 A T -1.2785 Soluble
69 D T -2.3798 Soluble
70 S T -1.6776 Soluble
71 V T 0.0000 Buried
72 K T -2.4389 Soluble
74 G T -1.6118 Soluble
75 R T 0.0000 Buried
76 F T 0.0000 Buried
77 T T -0.8691 Soluble
78 I T 0.0000 Buried
79 S T -0.7025 Soluble
80 R T -1.2556 Soluble
81 D T -2.0060 Soluble
82 N T -1.9825 Soluble
83 S T -1.7315 Soluble
84 K T -2.5220 Soluble
85 N T -1.9428 Soluble
86 T T -1.1347 Soluble
87 L T 0.0000 Buried
88 Y T -0.5747 Soluble
89 L T 0.0000 Buried
90 Q T -1.1761 Soluble
91 M T 0.0000 Buried
92 N T -1.7244 Soluble
93 S T -1.5809 Soluble
94 L T 0.0000 Buried
95 R T -2.3719 Soluble
96 A T -1.6367 Soluble
97 E T -2.2188 Soluble
98 D T 0.0000 Buried
99 T T -0.7138 Soluble
100 A T 0.0000 Buried
101 V T 0.1634 Aggregation-prone
102 Y T 0.0000 Buried
103 Y T 0.0000 Buried
104 C T 0.0000 Buried
105 K T 0.0000 Buried
106 T T -0.4281 Soluble
107 H T -0.5959 Soluble
108 G T -0.7198 Soluble
114 S T -0.5828 Soluble
115 H T -1.4287 Soluble
116 D T 0.0000 Buried
117 N T -1.1095 Soluble
118 W T -0.5864 Soluble
119 G T 0.0000 Buried
120 Q T -1.1364 Soluble
121 G T -0.3468 Soluble
122 T T -0.1086 Soluble
123 M T 0.1658 Aggregation-prone
124 V T 0.0000 Buried
125 T T -0.3021 Soluble
126 V T 0.0000 Buried
127 S T -0.6643 Soluble
128 S T -0.4811 Soluble
129 A T -0.3095 Soluble
130 S T -0.4347 Soluble
131 T T -0.5730 Soluble
132 K T -0.9676 Soluble
133 G T -1.3128 Soluble
134 P T -0.5651 Soluble
135 S T -0.2439 Soluble
136 V T 0.0000 Buried
137 F T -0.5411 Soluble
138 P T -0.9621 Soluble
139 L T 0.0000 Buried
140 A T -1.0704 Soluble
141 P T -0.6982 Soluble
142 S T -0.6181 Soluble
143 T T -0.2742 Soluble
144 A T -0.2284 Soluble
145 A T -0.0450 Soluble
146 L T 0.0000 Buried
147 G T 0.0000 Buried
148 C T 0.0000 Buried
149 L T 0.0000 Buried
150 V T 0.0000 Buried
151 K T -0.2537 Soluble
152 D T -0.3005 Soluble
153 Y T 0.0000 Buried
154 F T -0.1710 Soluble
155 P T 0.0000 Buried
156 E T -0.8038 Soluble
157 P T -0.8107 Soluble
158 V T -0.5149 Soluble
159 T T -0.6522 Soluble
160 V T -0.3577 Soluble
161 S T -0.4450 Soluble
162 W T 0.0000 Buried
163 N T -0.8329 Soluble
164 S T -0.6537 Soluble
165 G T -0.5252 Soluble
166 A T -0.2271 Soluble
167 L T 0.0368 Aggregation-prone
168 T T -0.1727 Soluble
169 S T -0.2324 Soluble
170 G T -0.2139 Soluble
171 V T 0.0076 Aggregation-prone
172 H T -0.5460 Soluble
173 T T -0.2126 Soluble
174 F T 0.0000 Buried
175 P T -0.1274 Soluble
176 A T 0.2822 Aggregation-prone
177 V T 0.0000 Buried
178 L T 1.4045 Aggregation-prone
179 Q T 0.3416 Aggregation-prone
180 S T -0.1089 Soluble
181 S T -0.1569 Soluble
182 G T 0.1310 Aggregation-prone
183 L T 0.2925 Aggregation-prone
184 Y T 0.4780 Aggregation-prone
185 S T 0.0000 Buried
186 L T 0.0000 Buried
187 S T 0.0000 Buried
188 S T 0.0000 Buried
189 V T 0.0608 Aggregation-prone
190 V T 0.0000 Buried
191 T T -0.2129 Soluble
192 V T 0.0000 Buried
193 P T -0.4220 Soluble
194 S T -0.4911 Soluble
195 S T -0.5844 Soluble
196 S T -0.6719 Soluble
197 L T -0.7841 Soluble
198 G T -1.0682 Soluble
199 T T -0.8491 Soluble
200 Q T -1.5119 Soluble
201 T T -1.1720 Soluble
202 Y T -1.0231 Soluble
203 I T -1.1364 Soluble
204 C T 0.0000 Buried
205 N T -1.4320 Soluble
206 V T 0.0000 Buried
207 N T -2.2591 Soluble
208 H T 0.0000 Buried
209 K T -2.8574 Soluble
210 P T -1.5534 Soluble
211 S T -1.8256 Soluble
212 N T -2.6436 Soluble
213 T T -2.1822 Soluble
214 K T -2.7983 Soluble
215 V T -1.5661 Soluble
216 D T -2.2823 Soluble
217 K T -1.9426 Soluble
218 K T -2.3963 Soluble
219 V T 0.0000 Buried
220 E T -2.4547 Soluble
221 P T -1.4926 Soluble
2 S S 0.6490 Aggregation-prone
3 V S 1.5013 Aggregation-prone
4 L S 0.0000 Buried
5 T S 0.1592 Aggregation-prone
6 Q S 0.0000 Buried
7 P S -0.5176 Soluble
8 P S -0.8302 Soluble
9 S S -0.9254 Soluble
11 V S -0.3731 Soluble
12 S S -0.3678 Soluble
13 G S -0.4419 Soluble
14 A S -0.4842 Soluble
15 P S -1.0683 Soluble
16 G S -1.5899 Soluble
17 Q S -2.2456 Soluble
18 R S -2.4618 Soluble
19 V S -1.0206 Soluble
20 T S -0.4246 Soluble
21 I S 0.0000 Buried
22 S S -0.3700 Soluble
23 C S 0.0000 Buried
24 S S -0.3205 Soluble
25 G S -0.6108 Soluble
26 S S -1.3243 Soluble
27 R S -2.4759 Soluble
28 S S -1.4168 Soluble
29 N S 0.0000 Buried
30 I S 0.0000 Buried
35 G S -1.8586 Soluble
36 S S -1.3052 Soluble
37 N S -0.8513 Soluble
38 T S -0.0388 Soluble
39 V S 0.0000 Buried
40 K S 0.0000 Buried
41 W S 0.0000 Buried
42 Y S 0.0000 Buried
43 Q S -0.3984 Soluble
44 Q S 0.0000 Buried
45 L S -0.2263 Soluble
46 P S -0.4942 Soluble
47 G S -0.5990 Soluble
48 T S -0.5566 Soluble
49 A S 0.0000 Buried
50 P S 0.0000 Buried
51 K S -0.8196 Soluble
52 L S -0.7183 Soluble
53 L S 0.0000 Buried
54 I S 0.0000 Buried
55 Y S -0.4488 Soluble
56 Y S 0.2124 Aggregation-prone
57 N S -0.8563 Soluble
65 D S -1.7812 Soluble
66 Q S -1.7083 Soluble
67 R S -2.4438 Soluble
68 P S -1.5034 Soluble
69 S S -1.0883 Soluble
70 G S -0.9091 Soluble
71 V S -1.0275 Soluble
72 P S -1.3847 Soluble
74 D S -2.3419 Soluble
75 R S -1.5012 Soluble
76 F S 0.0000 Buried
77 S S -1.3853 Soluble
78 G S -1.0581 Soluble
79 S S -0.9752 Soluble
80 K S -1.1611 Soluble
83 S S -0.9091 Soluble
84 G S -1.2790 Soluble
85 T S -1.2851 Soluble
86 S S -0.9364 Soluble
87 A S 0.0000 Buried
88 S S -0.5725 Soluble
89 L S 0.0000 Buried
90 A S -0.5476 Soluble
91 I S 0.0000 Buried
92 T S -1.6129 Soluble
93 G S -1.4889 Soluble
94 L S 0.0000 Buried
95 Q S -1.7196 Soluble
96 A S -1.3784 Soluble
97 E S -2.1352 Soluble
98 D S 0.0000 Buried
99 E S -1.1742 Soluble
100 A S 0.0000 Buried
101 D S -0.9721 Soluble
102 Y S 0.0000 Buried
103 Y S 0.0000 Buried
104 C S 0.0000 Buried
105 Q S 0.0000 Buried
106 S S 0.0000 Buried
107 Y S -0.3348 Soluble
108 D S 0.0000 Buried
109 R S -1.8140 Soluble
110 Y S 0.0966 Aggregation-prone
112 T S -0.3519 Soluble
113 H S -1.1122 Soluble
114 P S -0.5334 Soluble
115 A S -0.1780 Soluble
116 L S 0.0000 Buried
117 L S 0.0000 Buried
118 F S 0.0000 Buried
119 G S 0.0000 Buried
120 T S -0.1508 Soluble
121 G S 0.0000 Buried
122 T S 0.0000 Buried
123 K S -1.9003 Soluble
124 V S 0.0000 Buried
125 T S -0.2844 Soluble
126 V S 0.0000 Buried
127 L S 0.9230 Aggregation-prone
128 G S -0.3070 Soluble
129 Q S -0.6623 Soluble
130 P S -1.1213 Soluble
131 K S -2.1253 Soluble
132 A S -1.2288 Soluble
133 A S -0.7068 Soluble
134 P S -0.2293 Soluble
135 S S -0.3449 Soluble
136 V S 0.0000 Buried
137 T S -0.3288 Soluble
138 L S -0.2459 Soluble
139 F S 0.0000 Buried
140 P S -0.2725 Soluble
141 P S 0.0000 Buried
142 S S -0.9713 Soluble
143 S S -1.4075 Soluble
144 E S -2.4118 Soluble
145 E S 0.0000 Buried
146 L S -2.1467 Soluble
147 Q S -2.3878 Soluble
148 A S -1.9695 Soluble
149 N S -2.8187 Soluble
150 K S -2.9265 Soluble
151 A S 0.0000 Buried
152 T S 0.0000 Buried
153 L S 0.0000 Buried
154 V S 0.0000 Buried
155 C S 0.0000 Buried
156 L S 0.0000 Buried
157 I S 0.0000 Buried
158 S S 0.0000 Buried
159 D S -1.2617 Soluble
160 F S 0.0000 Buried
161 Y S -1.1490 Soluble
162 P S -0.9243 Soluble
163 G S -0.3422 Soluble
164 A S -0.1295 Soluble
165 V S -0.0672 Soluble
166 T S -0.0816 Soluble
167 V S -0.0480 Soluble
168 A S -0.5661 Soluble
169 W S 0.0000 Buried
170 K S -1.0265 Soluble
171 A S -1.2092 Soluble
172 D S -1.2720 Soluble
173 S S -0.8903 Soluble
174 S S -0.6153 Soluble
175 P S -0.9242 Soluble
176 V S -0.9676 Soluble
177 K S -1.7092 Soluble
178 A S -0.9128 Soluble
179 G S -0.8071 Soluble
180 V S -0.5366 Soluble
181 E S -0.2986 Soluble
182 T S 0.1183 Aggregation-prone
183 T S 0.1181 Aggregation-prone
184 T S -0.1972 Soluble
185 P S -0.3705 Soluble
186 S S -0.7911 Soluble
187 K S -1.7659 Soluble
188 Q S -1.5979 Soluble
189 S S -1.2295 Soluble
190 N S -1.6697 Soluble
191 N S -1.7250 Soluble
192 K S -1.7227 Soluble
193 Y S -1.0840 Soluble
194 A S 0.0000 Buried
195 A S 0.0000 Buried
196 S S 0.0000 Buried
197 S S 0.0000 Buried
198 Y S 0.0000 Buried
199 L S 0.0000 Buried
200 S S -0.5669 Soluble
201 L S 0.0000 Buried
202 T S -1.8441 Soluble
203 P S -2.5000 Soluble
204 E S -3.1457 Soluble
205 Q S -2.3761 Soluble
206 W S 0.0000 Buried
207 K S -3.2066 Soluble
208 S S -2.5239 Soluble
209 H S -2.5379 Soluble
210 R S -2.7214 Soluble
211 S S -1.5579 Soluble
212 Y S 0.0000 Buried
213 S S 0.0000 Buried
214 C S 0.0000 Buried
215 Q S -0.9317 Soluble
216 V S 0.0000 Buried
217 T S -0.6740 Soluble
218 H S 0.0000 Buried
219 E S -2.2287 Soluble
220 G S -1.3646 Soluble
221 S S -1.0091 Soluble
222 T S -0.6833 Soluble
223 V S -0.6131 Soluble
224 E S -1.6995 Soluble
225 K S -1.4532 Soluble
226 T S -0.8141 Soluble
227 V S -0.5093 Soluble
228 A S -1.1069 Soluble
229 P S -1.3837 Soluble
230 T S -1.3837 Soluble
231 E S -1.9383 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 -0.7774 2.0773 CSV PDB
4.5 -0.8141 2.0722 CSV PDB
5.0 -0.8549 2.0662 CSV PDB
5.5 -0.8907 2.0602 CSV PDB
6.0 -0.9112 2.0551 CSV PDB
6.5 -0.9086 2.0517 CSV PDB
7.0 -0.885 2.0501 CSV PDB
7.5 -0.8494 2.0495 CSV PDB
8.0 -0.8079 2.0493 CSV PDB
8.5 -0.762 2.0492 CSV PDB
9.0 -0.7118 2.0492 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH