Anifrolumab / 4qxg

A4DAB018_4qxg_H_L | Source PDB: 4qxg | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7188
Max Score
1.4718
Min Score
-3.7115
Total Score
-310.5
Score CDR
-0.392
Score non-CDR
-0.7567

Calculation Parameters

Chain Sequence(s) EVQLVQSGAEVKKPGESLKISCKGSGYIFTNYWIAWVRQMPGKGLESMGIIYPGDSDIRYSPSFQGQVTISADKSITTAYLQWSSLKASDTAMYYCARHDIEGFDYWGRGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKEIVLTQSPGTLSLSPGERATLSCRASQSVSSSFFAWYQQKPGQAPRLLIYGASSRATGIPDRLSGSGSGTDFTLTITRLEPEDFAVYYCQQYDSSAITFGQGTRLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input.pdb
Selected Chain(s) H (Heavy), L (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 -3.7115
Maximum Score 1.4718
Average Score -0.7188
Total Score -310.5008

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

Index Residue Chain A4D Score Classification
1 E H -2.1593 Soluble
2 V H -1.0602 Soluble
3 Q H -1.3965 Soluble
4 L H 0.0000 Buried
5 V H 0.6810 Aggregation-prone
6 Q H 0.0000 Buried
7 S H -0.4545 Soluble
8 G H -0.3390 Soluble
9 A H -0.2456 Soluble
11 E H -0.5020 Soluble
12 V H -0.0422 Soluble
13 K H -1.1483 Soluble
14 K H -1.6957 Soluble
15 P H -1.6517 Soluble
16 G H -1.7550 Soluble
17 E H -2.1575 Soluble
18 S H -1.7524 Soluble
19 L H 0.0000 Buried
20 K H -1.9768 Soluble
21 I H 0.0000 Buried
22 S H -0.4406 Soluble
23 C H 0.0000 Buried
24 K H -0.5117 Soluble
25 G H 0.0000 Buried
26 S H -0.3357 Soluble
27 G H -0.8554 Soluble
28 Y H 0.2692 Aggregation-prone
29 I H 1.4718 Aggregation-prone
30 F H 0.0000 Buried
35 T H -0.6272 Soluble
36 N H -0.7800 Soluble
37 Y H 0.2025 Aggregation-prone
38 W H 0.0860 Aggregation-prone
39 I H 0.0000 Buried
40 A H 0.0000 Buried
41 W H 0.0000 Buried
42 V H 0.0000 Buried
43 R H -0.6122 Soluble
44 Q H -0.8422 Soluble
45 M H -0.7834 Soluble
46 P H -0.9675 Soluble
47 G H -1.4364 Soluble
48 K H -2.3305 Soluble
49 G H -1.5433 Soluble
50 L H 0.0000 Buried
51 E H -1.0788 Soluble
52 S H 0.0000 Buried
53 M H 0.0000 Buried
54 G H 0.0000 Buried
55 I H 0.0000 Buried
56 I H 0.0000 Buried
57 Y H -1.1646 Soluble
58 P H 0.0000 Buried
59 G H -1.6919 Soluble
62 D H -2.5368 Soluble
63 S H -1.9779 Soluble
64 D H -1.9504 Soluble
65 I H -1.1838 Soluble
66 R H -1.9468 Soluble
67 Y H -1.0545 Soluble
68 S H 0.0000 Buried
69 P H -1.2502 Soluble
70 S H -1.0096 Soluble
71 F H 0.0000 Buried
72 Q H -1.8274 Soluble
74 G H -1.2719 Soluble
75 Q H -1.0763 Soluble
76 V H 0.0000 Buried
77 T H -0.6721 Soluble
78 I H 0.0000 Buried
79 S H -0.5105 Soluble
80 A H -0.9430 Soluble
81 D H -1.2970 Soluble
82 K H -1.6130 Soluble
83 S H -0.2945 Soluble
84 I H 0.9560 Aggregation-prone
85 T H -0.0147 Soluble
86 T H 0.0000 Buried
87 A H 0.0000 Buried
88 Y H -0.6402 Soluble
89 L H 0.0000 Buried
90 Q H -1.2724 Soluble
91 W H 0.0000 Buried
92 S H -1.1850 Soluble
93 S H -1.3843 Soluble
94 L H 0.0000 Buried
95 K H -1.3843 Soluble
96 A H -0.6738 Soluble
97 S H -0.3457 Soluble
98 D H 0.0000 Buried
99 T H -0.1361 Soluble
100 A H 0.0000 Buried
101 M H 0.0054 Aggregation-prone
102 Y H 0.0000 Buried
103 Y H 0.0000 Buried
104 C H 0.0000 Buried
105 A H 0.0000 Buried
106 R H 0.0000 Buried
107 H H 0.0325 Aggregation-prone
108 D H 0.1755 Aggregation-prone
109 I H 1.4450 Aggregation-prone
113 E H 0.1999 Aggregation-prone
114 G H 0.0000 Buried
115 F H 0.0000 Buried
116 D H -0.2706 Soluble
117 Y H -0.1546 Soluble
118 W H -0.4017 Soluble
119 G H 0.0000 Buried
120 R H -1.7941 Soluble
121 G H 0.0000 Buried
122 T H 0.0000 Buried
123 L H -0.0641 Soluble
124 V H 0.0000 Buried
125 T H 0.0000 Buried
126 V H 0.0000 Buried
127 S H -0.6838 Soluble
128 S H -0.8038 Soluble
129 A H -0.5292 Soluble
130 S H -0.6101 Soluble
131 T H -0.6187 Soluble
132 K H -1.2157 Soluble
133 G H -1.3057 Soluble
134 P H 0.0000 Buried
135 S H -0.4447 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.2368 Soluble
139 L H 0.0000 Buried
140 A H -1.2493 Soluble
141 P H 0.0000 Buried
142 S H -1.1105 Soluble
143 S H -0.9468 Soluble
144 K H -1.1651 Soluble
145 S H 0.0000 Buried
146 T H -0.7297 Soluble
147 S H -0.7779 Soluble
148 G H -0.8703 Soluble
149 G H -0.9129 Soluble
150 T H -0.6188 Soluble
151 A H 0.0000 Buried
152 A H 0.0000 Buried
153 L H 0.0000 Buried
154 G H 0.0000 Buried
155 C H 0.0000 Buried
156 L H 0.0000 Buried
157 V H 0.0000 Buried
158 K H 0.0000 Buried
159 D H -0.4410 Soluble
160 Y H 0.0000 Buried
161 F H 0.0000 Buried
162 P H 0.0000 Buried
163 E H -0.4283 Soluble
164 P H -0.6595 Soluble
165 V H -0.5984 Soluble
166 T H -0.4713 Soluble
167 V H -0.1274 Soluble
168 S H -0.4179 Soluble
169 W H 0.0000 Buried
170 N H -0.8548 Soluble
171 S H -0.7199 Soluble
172 G H -0.5579 Soluble
173 A H -0.2614 Soluble
174 L H -0.0521 Soluble
175 T H -0.2052 Soluble
176 S H -0.2201 Soluble
177 G H -0.2817 Soluble
178 V H 0.1230 Aggregation-prone
179 H H -0.3179 Soluble
180 T H 0.0140 Aggregation-prone
181 F H 0.0000 Buried
182 P H -0.3462 Soluble
183 A H 0.0465 Aggregation-prone
184 V H 0.2683 Aggregation-prone
185 L H 1.0009 Aggregation-prone
186 Q H 0.0504 Aggregation-prone
187 S H -0.2285 Soluble
188 S H -0.2081 Soluble
189 G H 0.0065 Aggregation-prone
190 L H 0.0396 Aggregation-prone
191 Y H 0.3321 Aggregation-prone
192 S H 0.0000 Buried
193 L H 0.0000 Buried
194 S H 0.0000 Buried
195 S H 0.0000 Buried
196 V H 0.0000 Buried
197 V H 0.0000 Buried
198 T H -0.1594 Soluble
199 V H 0.0000 Buried
200 P H -0.5611 Soluble
201 S H -0.6205 Soluble
202 S H -0.5870 Soluble
203 S H -0.5611 Soluble
204 L H -0.7487 Soluble
205 G H -0.9326 Soluble
206 T H -0.6438 Soluble
207 Q H -1.0402 Soluble
208 T H -1.1753 Soluble
209 Y H 0.0000 Buried
210 I H -1.4538 Soluble
211 C H 0.0000 Buried
212 N H -1.5342 Soluble
213 V H 0.0000 Buried
214 N H -1.7462 Soluble
215 H H 0.0000 Buried
216 K H -2.6824 Soluble
217 P H -1.5788 Soluble
218 S H -1.8092 Soluble
219 N H -2.5470 Soluble
220 T H -2.0209 Soluble
221 K H -2.5984 Soluble
222 V H -1.6007 Soluble
223 D H -2.5683 Soluble
224 K H -2.1090 Soluble
225 R H -2.7567 Soluble
226 V H 0.0000 Buried
227 E H -2.9218 Soluble
228 P H -2.1481 Soluble
229 K H -2.2707 Soluble
1 E L -1.6231 Soluble
2 I L 0.0000 Buried
3 V L 0.6090 Aggregation-prone
4 L L 0.0000 Buried
5 T L -0.8025 Soluble
6 Q L 0.0000 Buried
7 S L -0.8000 Soluble
8 P L -0.4583 Soluble
9 G L -0.7948 Soluble
10 T L -0.3491 Soluble
11 L L -0.0620 Soluble
12 S L -0.2821 Soluble
13 L L -0.7513 Soluble
14 S L -1.4088 Soluble
15 P L -2.0037 Soluble
16 G L -2.4073 Soluble
17 E L -2.7223 Soluble
18 R L -3.0601 Soluble
19 A L 0.0000 Buried
20 T L -0.5511 Soluble
21 L L 0.0000 Buried
22 S L -0.8666 Soluble
23 C L 0.0000 Buried
24 R L -2.3737 Soluble
25 A L 0.0000 Buried
26 S L -1.0609 Soluble
27 Q L -1.7288 Soluble
28 S L -1.4851 Soluble
29 V L 0.0000 Buried
30 S L -0.4588 Soluble
36 S L -0.5395 Soluble
37 S L 0.0351 Aggregation-prone
38 F L 0.2759 Aggregation-prone
39 F L 0.0000 Buried
40 A L 0.0000 Buried
41 W L 0.0000 Buried
42 Y L 0.0000 Buried
43 Q L 0.0000 Buried
44 Q L 0.0000 Buried
45 K L -1.9077 Soluble
46 P L -1.5468 Soluble
47 G L -1.7255 Soluble
48 Q L -2.3285 Soluble
49 A L -1.7304 Soluble
50 P L 0.0000 Buried
51 R L -1.9966 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.0121 Aggregation-prone
56 G L -0.0155 Soluble
57 A L 0.0000 Buried
65 S L -0.6281 Soluble
66 S L -0.7329 Soluble
67 R L -1.3986 Soluble
68 A L -0.9002 Soluble
69 T L -0.5065 Soluble
70 G L -0.7948 Soluble
71 I L -0.7985 Soluble
72 P L -1.2203 Soluble
74 D L -2.3082 Soluble
75 R L -1.8936 Soluble
76 L L 0.0000 Buried
77 S L -0.8438 Soluble
78 G L -0.4944 Soluble
79 S L -0.6561 Soluble
80 G L -1.0722 Soluble
83 S L -1.0689 Soluble
84 G L -1.2582 Soluble
85 T L -1.8454 Soluble
86 D L -2.3116 Soluble
87 F L 0.0000 Buried
88 T L -0.7951 Soluble
89 L L 0.0000 Buried
90 T L -0.7655 Soluble
91 I L 0.0000 Buried
92 T L -2.3999 Soluble
93 R L -3.3772 Soluble
94 L L 0.0000 Buried
95 E L -2.4741 Soluble
96 P L -1.7860 Soluble
97 E L -2.2947 Soluble
98 D L 0.0000 Buried
99 F L -0.6996 Soluble
100 A L 0.0000 Buried
101 V L -0.0156 Soluble
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 Q L 0.0000 Buried
106 Q L 0.0000 Buried
107 Y L 0.0000 Buried
108 D L -0.7950 Soluble
109 S L -0.8948 Soluble
114 S L -1.0222 Soluble
115 A L -1.0724 Soluble
116 I L 0.0000 Buried
117 T L 0.0000 Buried
118 F L 0.0255 Aggregation-prone
119 G L 0.0000 Buried
120 Q L -1.4873 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 R L -0.5041 Soluble
124 L L 0.0000 Buried
125 E L 0.0000 Buried
126 I L -0.6106 Soluble
127 K L -1.0596 Soluble
128 R L -0.9193 Soluble
129 T L -0.1809 Soluble
130 V L 0.1672 Aggregation-prone
131 A L -0.0026 Soluble
132 A L -0.1420 Soluble
133 P L 0.0000 Buried
134 S L -0.1747 Soluble
135 V L 0.0000 Buried
136 F L 0.0000 Buried
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L -0.6240 Soluble
140 P L -0.8226 Soluble
141 S L -1.8415 Soluble
142 D L -2.9670 Soluble
143 E L -2.9944 Soluble
144 Q L 0.0000 Buried
145 L L -2.2715 Soluble
146 K L -2.8509 Soluble
147 S L -1.7869 Soluble
148 G L -1.4211 Soluble
149 T L -1.0838 Soluble
150 A L 0.0000 Buried
151 S L 0.0000 Buried
152 V L 0.0000 Buried
153 V L 0.0000 Buried
154 C L 0.0000 Buried
155 L L 0.0000 Buried
156 L L 0.0000 Buried
157 N L 0.0000 Buried
158 N L -0.8548 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.4494 Soluble
162 R L -2.3412 Soluble
163 E L -2.8287 Soluble
164 A L -2.1012 Soluble
165 K L -2.3534 Soluble
166 V L -1.1998 Soluble
167 Q L -0.7754 Soluble
168 W L 0.0000 Buried
169 K L -0.7931 Soluble
170 V L 0.0000 Buried
171 D L -1.9573 Soluble
172 N L -1.6310 Soluble
173 A L -0.4830 Soluble
174 L L 0.1935 Aggregation-prone
175 Q L -0.6125 Soluble
176 S L -0.8156 Soluble
177 G L -1.3593 Soluble
178 N L -1.7930 Soluble
179 S L -1.6093 Soluble
180 Q L -1.6071 Soluble
181 E L -1.9471 Soluble
182 S L -0.9693 Soluble
183 V L -0.7835 Soluble
184 T L -1.0546 Soluble
185 E L -2.2970 Soluble
186 Q L -1.7760 Soluble
187 D L -1.8986 Soluble
188 S L -1.9129 Soluble
189 K L -2.1971 Soluble
190 D L -1.5710 Soluble
191 S L -1.5966 Soluble
192 T L 0.0000 Buried
193 Y L 0.0000 Buried
194 S L 0.0000 Buried
195 L L 0.0000 Buried
196 S L 0.0000 Buried
197 S L 0.0000 Buried
198 T L -0.8108 Soluble
199 L L 0.0000 Buried
200 T L -0.6880 Soluble
201 L L -0.8645 Soluble
202 S L -1.0854 Soluble
203 K L -2.1265 Soluble
204 A L -1.9454 Soluble
205 D L -2.9127 Soluble
206 Y L 0.0000 Buried
207 E L -3.5786 Soluble
208 K L -3.7115 Soluble
209 H L -3.0971 Soluble
210 K L -3.4314 Soluble
211 V L -1.3769 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.7563 Soluble
216 V L 0.0000 Buried
217 T L -1.1538 Soluble
218 H L 0.0000 Buried
219 Q L -1.7204 Soluble
220 G L -0.5310 Soluble
221 L L -0.2831 Soluble
222 S L -0.4632 Soluble
223 S L -0.4346 Soluble
224 P L -0.5060 Soluble
225 V L -0.0130 Soluble
226 T L -0.4918 Soluble
227 K L -0.9322 Soluble
228 S L -0.7178 Soluble
229 F L 0.0000 Buried
230 N L -1.9644 Soluble
231 R L -2.5584 Soluble
232 G L -2.1818 Soluble
233 E L -2.5310 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
Load structure at specific pH condition
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 -0.7211 2.9571 CSV PDB
4.5 -0.7698 2.838 CSV PDB
5.0 -0.8271 2.6896 CSV PDB
5.5 -0.882 2.5275 CSV PDB
6.0 -0.923 2.3638 CSV PDB
6.5 -0.9407 2.3514 CSV PDB
7.0 -0.9349 2.3863 CSV PDB
7.5 -0.9135 2.428 CSV PDB
8.0 -0.8838 2.4724 CSV PDB
8.5 -0.8479 2.5177 CSV PDB
9.0 -0.8053 2.5629 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH