Belimumab / 6fxn

A4DAB037_6fxn_Q_R | Source PDB: 6fxn | Chains: Q, R | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6947
Max Score
2.7893
Min Score
-3.057
Total Score
-294.56
Score CDR
-0.256
Score non-CDR
-0.7561

Calculation Parameters

Chain Sequence(s) VQLQQSGAEVKKPGSSVRVSCKASGGTFNNNAINWVRQAPGQGLEWMGGIIPMFGTAKYSQNFQGRVAITADESTGTASMELSSLRSEDTAVYYCARSRDLLLFPHHALSPWGRGTMVTVSSASTKGPSVFPLAPSTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPSELTQDPAVSVALGQTVRVTCQGDSLRSYYASWYQQKPGQAPVLVIYGKNNRPSGIPDRFSGSSSGNTASLTITGAQAEDEADYYCSSRDSSGNHWVFGGGTELTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAP input.pdb
Selected Chain(s) Q (Heavy), R (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 -3.057
Maximum Score 2.7893
Average Score -0.6947
Total Score -294.5625

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

Index Residue Chain A4D Score Classification
2 V Q 1.0811 Aggregation-prone
3 Q Q -1.1108 Soluble
4 L Q 0.0000 Buried
5 Q Q -2.4499 Soluble
6 Q Q -1.6232 Soluble
7 S Q -1.4036 Soluble
8 G Q -1.0445 Soluble
9 A Q 0.0000 Buried
11 E Q -1.2330 Soluble
12 V Q -0.7619 Soluble
13 K Q -1.6751 Soluble
14 K Q -2.4192 Soluble
15 P Q -2.1232 Soluble
16 G Q -1.5134 Soluble
17 S Q -1.2437 Soluble
18 S Q -1.4454 Soluble
19 V Q 0.0000 Buried
20 R Q -2.3886 Soluble
21 V Q 0.0000 Buried
22 S Q -1.2155 Soluble
23 C Q 0.0000 Buried
24 K Q -2.1173 Soluble
25 A Q 0.0000 Buried
26 S Q -1.0431 Soluble
27 G Q -0.7183 Soluble
28 G Q -1.1676 Soluble
29 T Q -1.2823 Soluble
30 F Q 0.0000 Buried
35 N Q -1.5684 Soluble
36 N Q -0.5468 Soluble
37 N Q -0.3122 Soluble
38 A Q 0.0665 Aggregation-prone
39 I Q 0.0000 Buried
40 N Q 0.0000 Buried
41 W Q 0.0000 Buried
42 V Q 0.0000 Buried
43 R Q 0.0000 Buried
44 Q Q -0.6458 Soluble
45 A Q -1.0392 Soluble
46 P Q -1.0553 Soluble
47 G Q -1.2496 Soluble
48 Q Q -1.7705 Soluble
49 G Q -1.2304 Soluble
50 L Q 0.0000 Buried
51 E Q -0.7383 Soluble
52 W Q 0.0000 Buried
53 M Q 0.0000 Buried
54 G Q 0.0000 Buried
55 G Q 0.0000 Buried
56 I Q 0.4347 Aggregation-prone
57 I Q 0.3253 Aggregation-prone
58 P Q -0.1537 Soluble
59 M Q 0.7325 Aggregation-prone
62 F Q 1.3980 Aggregation-prone
63 G Q 0.3574 Aggregation-prone
64 T Q 0.0978 Aggregation-prone
65 A Q -0.0016 Soluble
66 K Q -0.5039 Soluble
67 Y Q -0.2491 Soluble
68 S Q -1.1018 Soluble
69 Q Q -2.0773 Soluble
70 N Q -2.2292 Soluble
71 F Q 0.0000 Buried
72 Q Q -2.1344 Soluble
74 G Q -1.5045 Soluble
75 R Q -1.1951 Soluble
76 V Q -0.9669 Soluble
77 A Q -0.5568 Soluble
78 I Q 0.0000 Buried
79 T Q -0.5187 Soluble
80 A Q -0.7715 Soluble
81 D Q -1.7802 Soluble
82 E Q -1.9547 Soluble
83 S Q -1.3565 Soluble
84 T Q -1.2796 Soluble
85 G Q 0.0000 Buried
86 T Q -1.4498 Soluble
87 A Q 0.0000 Buried
88 S Q 0.0000 Buried
89 M Q 0.0000 Buried
90 E Q -1.8449 Soluble
91 L Q 0.0000 Buried
92 S Q -1.2479 Soluble
93 S Q -1.3123 Soluble
94 L Q 0.0000 Buried
95 R Q -2.8947 Soluble
96 S Q -2.2825 Soluble
97 E Q -2.5371 Soluble
98 D Q 0.0000 Buried
99 T Q -0.9597 Soluble
100 A Q 0.0000 Buried
101 V Q 0.1381 Aggregation-prone
102 Y Q 0.0000 Buried
103 Y Q 0.0000 Buried
104 C Q 0.0000 Buried
105 A Q 0.0000 Buried
106 R Q -0.2934 Soluble
107 S Q 0.0000 Buried
108 R Q -0.1204 Soluble
109 D Q 0.0000 Buried
110 L Q 2.1540 Aggregation-prone
111 L Q 2.7893 Aggregation-prone
111A L Q 2.5043 Aggregation-prone
112B F Q 1.4747 Aggregation-prone
112A P Q 0.8689 Aggregation-prone
112 H Q -0.7311 Soluble
113 H Q -0.6166 Soluble
114 A Q 0.0000 Buried
115 L Q 0.0000 Buried
116 S Q 0.0721 Aggregation-prone
117 P Q 0.0478 Aggregation-prone
118 W Q -0.3507 Soluble
119 G Q 0.0000 Buried
120 R Q -2.3775 Soluble
121 G Q 0.0000 Buried
122 T Q 0.0000 Buried
123 M Q -0.1680 Soluble
124 V Q 0.0000 Buried
125 T Q -0.8831 Soluble
126 V Q 0.0000 Buried
127 S Q -1.1610 Soluble
128 S Q -0.9675 Soluble
129 A Q -0.6241 Soluble
130 S Q -0.7651 Soluble
131 T Q -0.8283 Soluble
132 K Q -1.2257 Soluble
133 G Q -1.3430 Soluble
134 P Q 0.0000 Buried
135 S Q -0.3047 Soluble
136 V Q 0.0000 Buried
137 F Q 0.0000 Buried
138 P Q -1.0369 Soluble
139 L Q 0.0000 Buried
140 A Q -0.8748 Soluble
141 P Q -0.5328 Soluble
142 S Q -0.2594 Soluble
143 T Q -0.2392 Soluble
144 A Q -0.1839 Soluble
145 A Q -0.0598 Soluble
146 L Q 0.0000 Buried
147 G Q 0.0000 Buried
148 C Q 0.0000 Buried
149 L Q 0.0000 Buried
150 V Q 0.0000 Buried
151 K Q 0.0000 Buried
152 D Q -0.3509 Soluble
153 Y Q 0.0000 Buried
154 F Q 0.0000 Buried
155 P Q 0.0000 Buried
156 E Q -0.4643 Soluble
157 P Q -0.6212 Soluble
158 V Q -0.3438 Soluble
159 T Q -0.4659 Soluble
160 V Q -0.1125 Soluble
161 S Q -0.3620 Soluble
162 W Q 0.0000 Buried
163 N Q -0.6947 Soluble
164 S Q -0.6220 Soluble
165 G Q -0.5654 Soluble
166 A Q -0.2155 Soluble
167 L Q 0.0380 Aggregation-prone
168 T Q -0.1686 Soluble
169 S Q -0.2699 Soluble
170 G Q -0.3670 Soluble
171 V Q 0.1619 Aggregation-prone
172 H Q -0.1408 Soluble
173 T Q 0.0150 Aggregation-prone
174 F Q 0.0000 Buried
175 P Q -0.0903 Soluble
176 A Q 0.2771 Aggregation-prone
177 V Q 0.0000 Buried
178 L Q 1.0904 Aggregation-prone
179 Q Q 0.2940 Aggregation-prone
180 S Q -0.1611 Soluble
181 S Q -0.2056 Soluble
182 G Q 0.0069 Aggregation-prone
183 L Q 0.1023 Aggregation-prone
184 Y Q 0.4473 Aggregation-prone
185 S Q 0.0000 Buried
186 L Q 0.0000 Buried
187 S Q 0.0000 Buried
188 S Q 0.0000 Buried
189 V Q 0.1662 Aggregation-prone
190 V Q 0.0000 Buried
191 T Q -0.2130 Soluble
192 V Q 0.0000 Buried
193 P Q -0.4949 Soluble
194 S Q -0.4074 Soluble
195 S Q -0.4911 Soluble
196 S Q -0.5668 Soluble
197 L Q -0.7966 Soluble
198 G Q -1.1065 Soluble
199 T Q -0.7381 Soluble
200 Q Q -1.3362 Soluble
201 T Q -1.2333 Soluble
202 Y Q 0.0000 Buried
203 I Q -1.1802 Soluble
204 C Q 0.0000 Buried
205 N Q -1.2874 Soluble
206 V Q 0.0000 Buried
207 N Q -1.6415 Soluble
208 H Q 0.0000 Buried
209 K Q -2.3935 Soluble
210 P Q -1.5602 Soluble
211 S Q -1.7480 Soluble
212 N Q -2.2806 Soluble
213 T Q -1.9332 Soluble
214 K Q -2.4796 Soluble
215 V Q -1.3587 Soluble
216 D Q -2.1106 Soluble
217 K Q -1.9217 Soluble
218 K Q -2.5968 Soluble
219 V Q 0.0000 Buried
220 E Q -2.5330 Soluble
221 P Q -1.3752 Soluble
2 S R -1.5022 Soluble
3 E R -2.3119 Soluble
4 L R 0.0000 Buried
5 T R -1.3450 Soluble
6 Q R -1.5955 Soluble
7 D R -2.3667 Soluble
8 P R -1.7466 Soluble
9 A R -1.3610 Soluble
11 V R -1.0363 Soluble
12 S R -0.2278 Soluble
13 V R 0.0000 Buried
14 A R 0.0586 Aggregation-prone
15 L R 0.0658 Aggregation-prone
16 G R -0.7549 Soluble
17 Q R -1.3324 Soluble
18 T R -1.1672 Soluble
19 V R 0.0000 Buried
20 R R -1.9037 Soluble
21 V R 0.0000 Buried
22 T R -1.1238 Soluble
23 C R 0.0000 Buried
24 Q R -2.0824 Soluble
25 G R -2.2272 Soluble
26 D R -2.6870 Soluble
27 S R 0.0000 Buried
28 L R 0.0000 Buried
29 R R -2.7213 Soluble
36 S R -1.3556 Soluble
37 Y R -0.7543 Soluble
38 Y R -0.5940 Soluble
39 A R 0.0000 Buried
40 S R 0.0000 Buried
41 W R 0.0000 Buried
42 Y R 0.0000 Buried
43 Q R -0.2530 Soluble
44 Q R 0.0000 Buried
45 K R -1.4334 Soluble
46 P R -1.1826 Soluble
47 G R -1.2386 Soluble
48 Q R -1.6123 Soluble
49 A R -0.8582 Soluble
50 P R 0.0000 Buried
51 V R 1.0855 Aggregation-prone
52 L R 0.0000 Buried
53 V R 0.0000 Buried
54 I R 0.0000 Buried
55 Y R -1.3279 Soluble
56 G R -1.7422 Soluble
57 K R -2.7399 Soluble
65 N R -2.6315 Soluble
66 N R -2.5914 Soluble
67 R R -2.3911 Soluble
68 P R -0.8207 Soluble
69 S R -0.7817 Soluble
70 G R -0.8898 Soluble
71 I R -0.8026 Soluble
72 P R -1.3068 Soluble
74 D R -2.1822 Soluble
75 R R -1.2551 Soluble
76 F R 0.0000 Buried
77 S R -1.6182 Soluble
78 G R -1.5445 Soluble
79 S R -1.1462 Soluble
80 S R -1.2469 Soluble
83 S R -1.1048 Soluble
84 G R -1.7829 Soluble
85 N R -2.1412 Soluble
86 T R -1.4359 Soluble
87 A R 0.0000 Buried
88 S R -0.8202 Soluble
89 L R 0.0000 Buried
90 T R -0.9203 Soluble
91 I R 0.0000 Buried
92 T R -1.2015 Soluble
93 G R -1.0132 Soluble
94 A R 0.0000 Buried
95 Q R -1.2747 Soluble
96 A R -1.3009 Soluble
97 E R -2.4221 Soluble
98 D R 0.0000 Buried
99 E R -1.3437 Soluble
100 A R 0.0000 Buried
101 D R -1.4965 Soluble
102 Y R 0.0000 Buried
103 Y R 0.0000 Buried
104 C R 0.0000 Buried
105 S R 0.0000 Buried
106 S R 0.0000 Buried
107 R R -0.6381 Soluble
108 D R -1.2403 Soluble
109 S R -1.4001 Soluble
110 S R -0.6627 Soluble
113 G R -0.5509 Soluble
114 N R -0.8332 Soluble
115 H R -0.7080 Soluble
116 W R 0.0000 Buried
117 V R -0.5503 Soluble
118 F R -0.4210 Soluble
119 G R 0.0000 Buried
120 G R -1.5583 Soluble
121 G R -1.4629 Soluble
122 T R 0.0000 Buried
123 E R -2.4569 Soluble
124 L R 0.0000 Buried
125 T R -0.2578 Soluble
126 V R 0.0000 Buried
127 L R 0.9262 Aggregation-prone
128 G R -0.0600 Soluble
129 Q R -0.5194 Soluble
130 P R -1.1402 Soluble
131 K R -2.2427 Soluble
132 A R -1.2697 Soluble
133 A R -0.8285 Soluble
134 P R 0.0000 Buried
135 S R -0.5456 Soluble
136 V R 0.0000 Buried
137 T R -0.3864 Soluble
138 L R -0.4113 Soluble
139 F R 0.0000 Buried
140 P R -0.0936 Soluble
141 P R 0.0000 Buried
142 S R -0.8062 Soluble
143 S R -1.3442 Soluble
144 E R -2.0063 Soluble
145 E R 0.0000 Buried
146 L R -1.7459 Soluble
147 Q R -2.1522 Soluble
148 A R -1.6409 Soluble
149 N R -2.3811 Soluble
150 K R -1.9769 Soluble
151 A R 0.0000 Buried
152 T R 0.0000 Buried
153 L R 0.0000 Buried
154 V R 0.0000 Buried
155 C R 0.0000 Buried
156 L R 0.0000 Buried
157 I R 0.0000 Buried
158 S R -0.5034 Soluble
159 D R -1.2129 Soluble
160 F R 0.0000 Buried
161 Y R -1.0785 Soluble
162 P R -0.9333 Soluble
163 G R -0.6460 Soluble
164 A R -0.2465 Soluble
165 V R -0.1635 Soluble
166 T R -0.1635 Soluble
167 V R 0.0194 Aggregation-prone
168 A R -0.4347 Soluble
169 W R 0.0000 Buried
170 K R -0.9780 Soluble
171 A R 0.0000 Buried
172 D R -1.2976 Soluble
173 S R -0.8971 Soluble
174 S R -0.7894 Soluble
175 P R -0.9095 Soluble
176 V R -0.8353 Soluble
177 K R -1.5942 Soluble
178 A R -0.7023 Soluble
179 G R -0.3578 Soluble
180 V R -0.0232 Soluble
181 E R -0.0620 Soluble
182 T R 0.0963 Aggregation-prone
183 T R 0.0000 Buried
184 T R -0.0909 Soluble
185 P R -0.2200 Soluble
186 S R -0.4769 Soluble
187 K R -1.0107 Soluble
188 Q R -1.1403 Soluble
189 S R -1.2730 Soluble
190 N R -1.8357 Soluble
191 N R -1.6524 Soluble
192 K R -1.7004 Soluble
193 Y R -0.6518 Soluble
194 A R 0.0000 Buried
195 A R 0.0000 Buried
196 S R 0.0000 Buried
197 S R 0.0000 Buried
198 Y R 0.0000 Buried
199 L R 0.0000 Buried
200 S R -0.3650 Soluble
201 L R -0.6243 Soluble
202 T R -1.5996 Soluble
203 P R -2.2583 Soluble
204 E R -2.9966 Soluble
205 Q R -2.2344 Soluble
206 W R 0.0000 Buried
207 K R -3.0570 Soluble
208 S R -2.3677 Soluble
209 H R -2.2936 Soluble
210 R R -2.4888 Soluble
211 S R -1.5051 Soluble
212 Y R 0.0000 Buried
213 S R -1.0909 Soluble
214 C R 0.0000 Buried
215 Q R -1.2503 Soluble
216 V R 0.0000 Buried
217 T R -0.7670 Soluble
218 H R 0.0000 Buried
219 E R -2.3014 Soluble
220 G R -1.4468 Soluble
221 S R -0.8932 Soluble
222 T R -0.8052 Soluble
223 V R -0.8472 Soluble
224 E R -2.2923 Soluble
225 K R -1.9524 Soluble
226 T R -1.0516 Soluble
227 V R -0.3748 Soluble
228 A R -0.8492 Soluble
229 P R -1.0662 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 -0.6389 3.6843 CSV PDB
4.5 -0.6776 3.6863 CSV PDB
5.0 -0.7235 3.6918 CSV PDB
5.5 -0.767 3.7049 CSV PDB
6.0 -0.7976 3.7273 CSV PDB
6.5 -0.8078 3.752 CSV PDB
7.0 -0.7974 3.7692 CSV PDB
7.5 -0.773 3.7774 CSV PDB
8.0 -0.7409 3.7805 CSV PDB
8.5 -0.7032 3.7815 CSV PDB
9.0 -0.6609 3.7819 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH