Briakinumab / 5njd

A4DAB055_5njd_P_O | Source PDB: 5njd | Chains: P, O | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7042
Max Score
1.503
Min Score
-3.1372
Total Score
-295.76
Score CDR
-0.6293
Score non-CDR
-0.7136

Calculation Parameters

Chain Sequence(s) QVQLVESGGGVVQPGRSLRLSCAASGFTFSSYGMHWVRQAPGKGLEWVAFIRYDGSNKYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCKTHGSHDNWGQGTMVTVSSASTKGPSVFPLAPSTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVESVLTQPPSVSGAPGQRVTISCSGSRSNIGSNTVKWYQQLPGTAPKLLIYYNDQRPSGVPDRFSGSKSGTSASLAITGLQAEDEADYYCQSYDRYTHPALLFGTGTKVTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPT 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 -3.1372
Maximum Score 1.503
Average Score -0.7042
Total Score -295.7588

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

Index Residue Chain A4D Score Classification
1 Q P -1.3012 Soluble
2 V P -0.7808 Soluble
3 Q P -1.1385 Soluble
4 L P 0.0000 Buried
5 V P 0.3170 Aggregation-prone
6 E P 0.0000 Buried
7 S P -0.5344 Soluble
8 G P -0.8422 Soluble
9 G P -0.4236 Soluble
11 G P 0.0182 Aggregation-prone
12 V P 0.3784 Aggregation-prone
13 V P -0.7687 Soluble
14 Q P -1.9446 Soluble
15 P P -2.1187 Soluble
16 G P -2.1971 Soluble
17 R P -2.7140 Soluble
18 S P -1.9033 Soluble
19 L P -1.3604 Soluble
20 R P -2.2190 Soluble
21 L P 0.0000 Buried
22 S P -0.6045 Soluble
23 C P 0.0000 Buried
24 A P -0.2521 Soluble
25 A P 0.0000 Buried
26 S P -0.6446 Soluble
27 G P -0.8627 Soluble
28 F P -0.0451 Soluble
29 T P 0.0356 Aggregation-prone
30 F P 0.0000 Buried
35 S P -0.5201 Soluble
36 S P 0.3069 Aggregation-prone
37 Y P 0.8301 Aggregation-prone
38 G P 0.1500 Aggregation-prone
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 0.0000 Buried
45 A P -1.1080 Soluble
46 P P -0.9498 Soluble
47 G P -1.4739 Soluble
48 K P -2.2158 Soluble
49 G P -1.4350 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 -0.9439 Soluble
58 Y P 0.1891 Aggregation-prone
59 D P -1.1412 Soluble
62 G P -1.3365 Soluble
63 S P -1.1835 Soluble
64 N P -1.5467 Soluble
65 K P -1.4454 Soluble
66 Y P -0.7720 Soluble
67 Y P -0.8213 Soluble
68 A P -1.3563 Soluble
69 D P -2.4704 Soluble
70 S P -1.7562 Soluble
71 V P 0.0000 Buried
72 K P -2.5645 Soluble
74 G P -1.7033 Soluble
75 R P -1.5701 Soluble
76 F P 0.0000 Buried
77 T P -1.0393 Soluble
78 I P 0.0000 Buried
79 S P -0.8171 Soluble
80 R P -1.2335 Soluble
81 D P -2.0037 Soluble
82 N P -2.0105 Soluble
83 S P -1.7907 Soluble
84 K P -2.5291 Soluble
85 N P -1.9157 Soluble
86 T P 0.0000 Buried
87 L P 0.0000 Buried
88 Y P 0.0000 Buried
89 L P 0.0000 Buried
90 Q P -1.5626 Soluble
91 M P 0.0000 Buried
92 N P -1.7653 Soluble
93 S P -1.6864 Soluble
94 L P 0.0000 Buried
95 R P -2.5157 Soluble
96 A P -1.7327 Soluble
97 E P -2.2241 Soluble
98 D P 0.0000 Buried
99 T P -0.6873 Soluble
100 A P 0.0000 Buried
101 V P 0.1686 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 -0.4838 Soluble
107 H P -0.5991 Soluble
108 G P -0.7836 Soluble
114 S P -0.5863 Soluble
115 H P -1.3974 Soluble
116 D P 0.0000 Buried
117 N P -1.1901 Soluble
118 W P -0.6180 Soluble
119 G P 0.0000 Buried
120 Q P -1.0961 Soluble
121 G P -0.3457 Soluble
122 T P -0.1203 Soluble
123 M P 0.1101 Aggregation-prone
124 V P 0.0000 Buried
125 T P -0.2907 Soluble
126 V P 0.0000 Buried
127 S P -0.7636 Soluble
128 S P -0.8172 Soluble
129 A P -0.4381 Soluble
130 S P -0.5213 Soluble
131 T P -0.6665 Soluble
132 K P -1.0074 Soluble
133 G P -1.3411 Soluble
134 P P -0.6096 Soluble
135 S P -0.3257 Soluble
136 V P 0.0000 Buried
137 F P 0.0000 Buried
138 P P -1.0467 Soluble
139 L P 0.0000 Buried
140 A P -0.8415 Soluble
141 P P -0.4169 Soluble
142 S P -0.2231 Soluble
143 T P -0.2334 Soluble
144 A P -0.1759 Soluble
145 A P -0.0468 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 -0.3049 Soluble
152 D P -0.3068 Soluble
153 Y P 0.0000 Buried
154 F P -0.1434 Soluble
155 P P 0.0000 Buried
156 E P -0.7245 Soluble
157 P P -0.7923 Soluble
158 V P -0.7211 Soluble
159 T P -0.6937 Soluble
160 V P -0.3668 Soluble
161 S P -0.4286 Soluble
162 W P 0.0000 Buried
163 N P -0.8752 Soluble
164 S P -0.6513 Soluble
165 G P -0.4690 Soluble
166 A P -0.1967 Soluble
167 L P 0.0523 Aggregation-prone
168 T P -0.0955 Soluble
169 S P -0.1541 Soluble
170 G P -0.1303 Soluble
171 V P 0.1089 Aggregation-prone
172 H P -0.3256 Soluble
173 T P -0.1139 Soluble
174 F P 0.0000 Buried
175 P P -0.0734 Soluble
176 A P 0.2877 Aggregation-prone
177 V P 0.0000 Buried
178 L P 1.3763 Aggregation-prone
179 Q P 0.3743 Aggregation-prone
180 S P -0.1247 Soluble
181 S P -0.1850 Soluble
182 G P 0.0852 Aggregation-prone
183 L P 0.2880 Aggregation-prone
184 Y P 0.4895 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 0.0000 Buried
190 V P 0.0000 Buried
191 T P -0.1974 Soluble
192 V P 0.0000 Buried
193 P P -0.2934 Soluble
194 S P -0.3566 Soluble
195 S P -0.4453 Soluble
196 S P -0.4841 Soluble
197 L P -0.4296 Soluble
198 G P -0.8707 Soluble
199 T P -0.7728 Soluble
200 Q P -1.4803 Soluble
201 T P -1.2106 Soluble
202 Y P 0.0000 Buried
203 I P -1.2632 Soluble
204 C P 0.0000 Buried
205 N P -1.4699 Soluble
206 V P 0.0000 Buried
207 N P -2.2804 Soluble
208 H P 0.0000 Buried
209 K P -2.8618 Soluble
210 P P -1.5152 Soluble
211 S P -1.7603 Soluble
212 N P -2.6538 Soluble
213 T P -2.1961 Soluble
214 K P -2.7798 Soluble
215 V P -1.5730 Soluble
216 D P -2.2412 Soluble
217 K P -2.0390 Soluble
218 K P -2.4930 Soluble
219 V P 0.0000 Buried
220 E P -2.3161 Soluble
2 S O 0.6193 Aggregation-prone
3 V O 1.5030 Aggregation-prone
4 L O 0.0000 Buried
5 T O 0.1768 Aggregation-prone
6 Q O 0.0000 Buried
7 P O -0.4073 Soluble
8 P O -0.6420 Soluble
9 S O -0.6613 Soluble
11 V O -0.2152 Soluble
12 S O -0.4270 Soluble
13 G O -0.7376 Soluble
14 A O -0.9050 Soluble
15 P O -1.3424 Soluble
16 G O -1.7952 Soluble
17 Q O -2.4630 Soluble
18 R O -2.5539 Soluble
19 V O -1.0608 Soluble
20 T O -0.4111 Soluble
21 I O 0.0000 Buried
22 S O -0.3191 Soluble
23 C O 0.0000 Buried
24 S O -0.2609 Soluble
25 G O -0.5605 Soluble
26 S O -1.3545 Soluble
27 R O -2.5726 Soluble
28 S O -1.6190 Soluble
29 N O 0.0000 Buried
30 I O 0.0000 Buried
35 G O -1.9708 Soluble
36 S O -1.6295 Soluble
37 N O -1.1670 Soluble
38 T O -0.2001 Soluble
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 -0.4922 Soluble
44 Q O -0.5321 Soluble
45 L O -0.3213 Soluble
46 P O -0.5060 Soluble
47 G O -0.6260 Soluble
48 T O -0.6034 Soluble
49 A O 0.0000 Buried
50 P O 0.0000 Buried
51 K O -0.9326 Soluble
52 L O -0.7191 Soluble
53 L O 0.0000 Buried
54 I O 0.0000 Buried
55 Y O -0.3092 Soluble
56 Y O 0.3387 Aggregation-prone
57 N O -0.9055 Soluble
65 D O -1.9288 Soluble
66 Q O -1.6112 Soluble
67 R O -1.9033 Soluble
68 P O -1.2847 Soluble
69 S O -0.7761 Soluble
70 G O -0.8215 Soluble
71 V O -0.9706 Soluble
72 P O -1.2807 Soluble
74 D O -2.1863 Soluble
75 R O -1.5451 Soluble
76 F O 0.0000 Buried
77 S O -1.3536 Soluble
78 G O -1.1083 Soluble
79 S O -1.0807 Soluble
80 K O -1.1434 Soluble
83 S O -0.8822 Soluble
84 G O -1.2406 Soluble
85 T O -1.2725 Soluble
86 S O -0.8677 Soluble
87 A O 0.0000 Buried
88 S O -0.6066 Soluble
89 L O 0.0000 Buried
90 A O -0.5526 Soluble
91 I O 0.0000 Buried
92 T O -1.6783 Soluble
93 G O -1.6260 Soluble
94 L O 0.0000 Buried
95 Q O -1.8097 Soluble
96 A O -1.5473 Soluble
97 E O -2.1958 Soluble
98 D O 0.0000 Buried
99 E O -1.1932 Soluble
100 A O 0.0000 Buried
101 D O -0.8517 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 -0.3677 Soluble
108 D O -1.3354 Soluble
109 R O -2.0000 Soluble
110 Y O 0.0074 Aggregation-prone
112 T O -0.4027 Soluble
113 H O -1.0522 Soluble
114 P O 0.0000 Buried
115 A O -0.2162 Soluble
116 L O 0.0000 Buried
117 L O 0.0000 Buried
118 F O 0.0000 Buried
119 G O 0.0000 Buried
120 T O -0.2141 Soluble
121 G O -0.8072 Soluble
122 T O 0.0000 Buried
123 K O -1.2145 Soluble
124 V O 0.0000 Buried
125 T O -0.2262 Soluble
126 V O 0.0000 Buried
127 L O 0.1731 Aggregation-prone
128 G O -0.6658 Soluble
129 Q O -1.1151 Soluble
130 P O -1.3055 Soluble
131 K O -2.3231 Soluble
132 A O -1.3373 Soluble
133 A O -0.7476 Soluble
134 P O 0.0000 Buried
135 S O -0.3074 Soluble
136 V O 0.0000 Buried
137 T O -0.4168 Soluble
138 L O -0.3519 Soluble
139 F O 0.0000 Buried
140 P O -0.0665 Soluble
141 P O 0.0000 Buried
142 S O -0.9393 Soluble
143 S O -1.3340 Soluble
144 E O -2.2575 Soluble
145 E O 0.0000 Buried
146 L O -2.0930 Soluble
147 Q O -2.3280 Soluble
148 A O -1.9320 Soluble
149 N O -2.7716 Soluble
150 K O -2.8800 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 -0.6445 Soluble
159 D O -1.3922 Soluble
160 F O 0.0000 Buried
161 Y O -1.2548 Soluble
162 P O -0.8763 Soluble
163 G O -0.6630 Soluble
164 A O -0.0990 Soluble
165 V O 0.0425 Aggregation-prone
166 T O 0.0778 Aggregation-prone
167 V O 0.4683 Aggregation-prone
168 A O -0.3450 Soluble
169 W O 0.0000 Buried
170 K O -0.9789 Soluble
171 A O -1.3133 Soluble
172 D O -1.6836 Soluble
173 S O -1.0568 Soluble
174 S O -0.8676 Soluble
175 P O -0.9313 Soluble
176 V O -0.8349 Soluble
177 K O -1.5949 Soluble
178 A O -0.7928 Soluble
179 G O -0.5179 Soluble
180 V O 0.0316 Aggregation-prone
181 E O -0.0451 Soluble
182 T O 0.1482 Aggregation-prone
183 T O 0.0322 Aggregation-prone
184 T O -0.0905 Soluble
185 P O -0.3146 Soluble
186 S O -0.7137 Soluble
187 K O -1.5164 Soluble
188 Q O -1.4158 Soluble
189 S O -1.1255 Soluble
190 N O -1.5941 Soluble
191 N O -1.9419 Soluble
192 K O -1.9111 Soluble
193 Y O -1.0595 Soluble
194 A O 0.0000 Buried
195 A O 0.0000 Buried
196 S O 0.0000 Buried
197 S O 0.0000 Buried
198 Y O 0.0000 Buried
199 L O 0.0000 Buried
200 S O -0.4656 Soluble
201 L O -0.8260 Soluble
202 T O -1.6784 Soluble
203 P O -2.4148 Soluble
204 E O -3.0572 Soluble
205 Q O -2.2238 Soluble
206 W O 0.0000 Buried
207 K O -3.1372 Soluble
208 S O -2.4651 Soluble
209 H O -2.4976 Soluble
210 R O -2.7698 Soluble
211 S O -1.6691 Soluble
212 Y O 0.0000 Buried
213 S O 0.0000 Buried
214 C O 0.0000 Buried
215 Q O -1.2120 Soluble
216 V O 0.0000 Buried
217 T O -0.6707 Soluble
218 H O 0.0000 Buried
219 E O -2.2332 Soluble
220 G O -1.3642 Soluble
221 S O -1.0401 Soluble
222 T O -0.7991 Soluble
223 V O -0.9795 Soluble
224 E O -2.3288 Soluble
225 K O -1.8726 Soluble
226 T O -1.0651 Soluble
227 V O -0.4416 Soluble
228 A O -0.8590 Soluble
229 P O -0.9272 Soluble
230 T O -0.4613 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 -0.7877 1.8679 CSV PDB
4.5 -0.8213 1.8476 CSV PDB
5.0 -0.8593 1.8256 CSV PDB
5.5 -0.8933 1.8049 CSV PDB
6.0 -0.9136 1.7896 CSV PDB
6.5 -0.9134 1.7827 CSV PDB
7.0 -0.8939 1.7837 CSV PDB
7.5 -0.8629 1.7899 CSV PDB
8.0 -0.8257 1.7998 CSV PDB
8.5 -0.7839 1.814 CSV PDB
9.0 -0.7372 1.8328 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH