Belimumab / 6fxn

A4DAB037_6fxn_F_G | Source PDB: 6fxn | Chains: F, G | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.721
Max Score
2.5664
Min Score
-3.08
Total Score
-310.04
Score CDR
-0.2978
Score non-CDR
-0.7792

Calculation Parameters

Chain Sequence(s) VQLQQSGAEVKKPGSSVRVSCKASGGTFNNNAINWVRQAPGQGLEWMGGIIPMFGTAKYSQNFQGRVAITADESTGTASMELSSLRSEDTAVYYCARSRDLLLFPHHALSPWGRGTMVTVSSASTKGPSVFPLAPSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSELTQDPAVSVALGQTVRVTCQGDSLRSYYASWYQQKPGQAPVLVIYGKNNRPSGIPDRFSGSSSGNTASLTITGAQAEDEADYYCSSRDSSGNHWVFGGGTELTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPT input.pdb
Selected Chain(s) F (Heavy), G (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 -3.08
Maximum Score 2.5664
Average Score -0.721
Total Score -310.0396

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

Index Residue Chain A4D Score Classification
2 V F 1.0669 Aggregation-prone
3 Q F -1.0149 Soluble
4 L F 0.0000 Buried
5 Q F -2.0304 Soluble
6 Q F -1.3211 Soluble
7 S F -1.2969 Soluble
8 G F -1.1820 Soluble
9 A F -0.8358 Soluble
11 E F -1.2084 Soluble
12 V F -0.6994 Soluble
13 K F -1.4932 Soluble
14 K F -2.2563 Soluble
15 P F -1.8094 Soluble
16 G F -1.3805 Soluble
17 S F -1.1634 Soluble
18 S F -1.3585 Soluble
19 V F 0.0000 Buried
20 R F -2.3791 Soluble
21 V F 0.0000 Buried
22 S F -1.0826 Soluble
23 C F 0.0000 Buried
24 K F -1.5579 Soluble
25 A F -1.1378 Soluble
26 S F -0.8115 Soluble
27 G F -0.6842 Soluble
28 G F -1.2010 Soluble
29 T F -1.5011 Soluble
30 F F 0.0000 Buried
35 N F -1.6907 Soluble
36 N F -0.5758 Soluble
37 N F 0.0000 Buried
38 A F -0.0692 Soluble
39 I F 0.0000 Buried
40 N F 0.0000 Buried
41 W F 0.0000 Buried
42 V F 0.0000 Buried
43 R F -0.6061 Soluble
44 Q F -0.8142 Soluble
45 A F -1.0912 Soluble
46 P F -1.0876 Soluble
47 G F -1.2493 Soluble
48 Q F -1.7962 Soluble
49 G F -1.2545 Soluble
50 L F 0.0000 Buried
51 E F -0.8937 Soluble
52 W F 0.0000 Buried
53 M F 0.0000 Buried
54 G F 0.0000 Buried
55 G F 0.0000 Buried
56 I F 0.3713 Aggregation-prone
57 I F 0.1348 Aggregation-prone
58 P F -0.5152 Soluble
59 M F 0.1714 Aggregation-prone
62 F F 1.1309 Aggregation-prone
63 G F 0.2582 Aggregation-prone
64 T F 0.0429 Aggregation-prone
65 A F -0.0093 Soluble
66 K F -0.5270 Soluble
67 Y F -0.4160 Soluble
68 S F -1.1652 Soluble
69 Q F -2.1064 Soluble
70 N F -2.2483 Soluble
71 F F 0.0000 Buried
72 Q F -2.1017 Soluble
74 G F -1.5078 Soluble
75 R F -1.1936 Soluble
76 V F -1.0126 Soluble
77 A F -0.6084 Soluble
78 I F 0.0000 Buried
79 T F -0.6443 Soluble
80 A F -1.2019 Soluble
81 D F -2.4122 Soluble
82 E F -2.6192 Soluble
83 S F -1.5643 Soluble
84 T F -1.3495 Soluble
85 G F 0.0000 Buried
86 T F -1.4993 Soluble
87 A F 0.0000 Buried
88 S F -1.0609 Soluble
89 M F 0.0000 Buried
90 E F -1.7876 Soluble
91 L F 0.0000 Buried
92 S F -1.1760 Soluble
93 S F -1.0557 Soluble
94 L F 0.0000 Buried
95 R F -1.9393 Soluble
96 S F -1.8354 Soluble
97 E F -2.2179 Soluble
98 D F 0.0000 Buried
99 T F -0.7874 Soluble
100 A F 0.0000 Buried
101 V F 0.0234 Aggregation-prone
102 Y F 0.0000 Buried
103 Y F 0.0000 Buried
104 C F 0.0000 Buried
105 A F 0.0000 Buried
106 R F -0.4075 Soluble
107 S F 0.0000 Buried
108 R F -0.4283 Soluble
109 D F 0.7811 Aggregation-prone
110 L F 1.7400 Aggregation-prone
111 L F 2.5664 Aggregation-prone
111A L F 2.2800 Aggregation-prone
112B F F 1.1789 Aggregation-prone
112A P F 0.6329 Aggregation-prone
112 H F -0.7680 Soluble
113 H F -0.7408 Soluble
114 A F 0.0000 Buried
115 L F 0.0000 Buried
116 S F -0.0295 Soluble
117 P F -0.0361 Soluble
118 W F -0.4000 Soluble
119 G F 0.0000 Buried
120 R F -2.3435 Soluble
121 G F 0.0000 Buried
122 T F 0.0000 Buried
123 M F -0.0159 Soluble
124 V F 0.0000 Buried
125 T F -0.6040 Soluble
126 V F 0.0000 Buried
127 S F -0.9941 Soluble
128 S F -0.9019 Soluble
129 A F -0.5729 Soluble
130 S F -0.6896 Soluble
131 T F -0.7625 Soluble
132 K F -1.0543 Soluble
133 G F -1.3316 Soluble
134 P F 0.0000 Buried
135 S F -0.3203 Soluble
136 V F 0.0000 Buried
137 F F 0.0000 Buried
138 P F -1.0362 Soluble
139 L F 0.0000 Buried
140 A F -1.2356 Soluble
141 P F 0.0000 Buried
142 S F -0.7441 Soluble
143 T F -0.4986 Soluble
144 S F -0.6739 Soluble
145 G F -0.8493 Soluble
146 G F -0.8890 Soluble
147 T F -0.6222 Soluble
148 A F 0.0000 Buried
149 A F -0.0687 Soluble
150 L F 0.0000 Buried
151 G F 0.0000 Buried
152 C F 0.0000 Buried
153 L F 0.0000 Buried
154 V F 0.0000 Buried
155 K F -0.2828 Soluble
156 D F -0.3121 Soluble
157 Y F 0.0000 Buried
158 F F -0.1695 Soluble
159 P F 0.0000 Buried
160 E F -0.3384 Soluble
161 P F -0.6730 Soluble
162 V F 0.0000 Buried
163 T F -0.5308 Soluble
164 V F -0.2892 Soluble
165 S F -0.4563 Soluble
166 W F 0.0000 Buried
167 N F -0.8305 Soluble
168 S F -0.7142 Soluble
169 G F -0.5768 Soluble
170 A F -0.2316 Soluble
171 L F 0.0763 Aggregation-prone
172 T F -0.1341 Soluble
173 S F -0.1550 Soluble
174 G F -0.1385 Soluble
175 V F 0.2956 Aggregation-prone
176 H F -0.0411 Soluble
177 T F 0.0336 Aggregation-prone
178 F F 0.0000 Buried
179 P F -0.0975 Soluble
180 A F 0.2890 Aggregation-prone
181 V F 0.0000 Buried
182 L F 1.3425 Aggregation-prone
183 Q F 0.4643 Aggregation-prone
184 S F -0.1052 Soluble
185 S F -0.1588 Soluble
186 G F 0.1003 Aggregation-prone
187 L F 0.3053 Aggregation-prone
188 Y F 0.4901 Aggregation-prone
189 S F 0.0000 Buried
190 L F 0.0000 Buried
191 S F 0.0000 Buried
192 S F 0.0000 Buried
193 V F 0.1899 Aggregation-prone
194 V F 0.0000 Buried
195 T F -0.1338 Soluble
196 V F 0.0000 Buried
197 P F -0.5798 Soluble
198 S F -0.6239 Soluble
199 S F -0.5434 Soluble
200 S F -0.5783 Soluble
201 L F -0.7384 Soluble
202 G F -1.0495 Soluble
203 T F -0.7912 Soluble
204 Q F -1.4599 Soluble
205 T F -1.2965 Soluble
206 Y F 0.0000 Buried
207 I F -1.3255 Soluble
208 C F 0.0000 Buried
209 N F -1.5468 Soluble
210 V F 0.0000 Buried
211 N F -2.1723 Soluble
212 H F 0.0000 Buried
213 K F -2.9399 Soluble
214 P F -1.7932 Soluble
215 S F -1.8508 Soluble
216 N F -2.6307 Soluble
217 T F -2.1493 Soluble
218 K F -2.7666 Soluble
219 V F -1.5928 Soluble
220 D F -2.6889 Soluble
221 K F -2.1786 Soluble
222 K F -2.6827 Soluble
223 V F 0.0000 Buried
224 E F -2.8834 Soluble
225 P F -1.9491 Soluble
226 K F -2.2609 Soluble
2 S G -1.3903 Soluble
3 E G -2.2801 Soluble
4 L G 0.0000 Buried
5 T G -1.4732 Soluble
6 Q G -1.4261 Soluble
7 D G -2.3482 Soluble
8 P G -1.6810 Soluble
9 A G -1.3081 Soluble
11 V G -1.0029 Soluble
12 S G -0.3335 Soluble
13 V G 0.0000 Buried
14 A G -0.1154 Soluble
15 L G -0.1909 Soluble
16 G G -0.8699 Soluble
17 Q G -1.2868 Soluble
18 T G -1.1861 Soluble
19 V G 0.0000 Buried
20 R G -1.8928 Soluble
21 V G 0.0000 Buried
22 T G -1.1492 Soluble
23 C G 0.0000 Buried
24 Q G -2.3302 Soluble
25 G G -2.3402 Soluble
26 D G -2.6095 Soluble
27 S G 0.0000 Buried
28 L G 0.0000 Buried
29 R G -2.8397 Soluble
36 S G -1.3495 Soluble
37 Y G -0.6222 Soluble
38 Y G -0.4240 Soluble
39 A G 0.0000 Buried
40 S G 0.0000 Buried
41 W G 0.0000 Buried
42 Y G 0.0000 Buried
43 Q G 0.0000 Buried
44 Q G 0.0000 Buried
45 K G -1.8085 Soluble
46 P G -1.4338 Soluble
47 G G -1.4135 Soluble
48 Q G -1.9389 Soluble
49 A G -1.0782 Soluble
50 P G 0.0000 Buried
51 V G 0.7454 Aggregation-prone
52 L G 0.0000 Buried
53 V G 0.0000 Buried
54 I G 0.0000 Buried
55 Y G -1.1660 Soluble
56 G G -1.6254 Soluble
57 K G -2.5722 Soluble
65 N G -2.4202 Soluble
66 N G -2.2219 Soluble
67 R G -2.1457 Soluble
68 P G -0.7402 Soluble
69 S G -0.7393 Soluble
70 G G -0.8807 Soluble
71 I G -0.7895 Soluble
72 P G -1.3138 Soluble
74 D G -2.1768 Soluble
75 R G -1.2730 Soluble
76 F G 0.0000 Buried
77 S G -1.5395 Soluble
78 G G -1.4083 Soluble
79 S G -1.1321 Soluble
80 S G -1.3432 Soluble
83 S G -1.3324 Soluble
84 G G -2.1838 Soluble
85 N G -2.7897 Soluble
86 T G -1.7676 Soluble
87 A G 0.0000 Buried
88 S G -0.8210 Soluble
89 L G 0.0000 Buried
90 T G -0.9103 Soluble
91 I G 0.0000 Buried
92 T G -1.1671 Soluble
93 G G -1.0773 Soluble
94 A G 0.0000 Buried
95 Q G -1.4052 Soluble
96 A G -1.4494 Soluble
97 E G -2.5536 Soluble
98 D G 0.0000 Buried
99 E G -1.5044 Soluble
100 A G -1.4316 Soluble
101 D G -1.4080 Soluble
102 Y G 0.0000 Buried
103 Y G 0.0000 Buried
104 C G 0.0000 Buried
105 S G 0.0000 Buried
106 S G 0.0000 Buried
107 R G -0.5453 Soluble
108 D G -1.1176 Soluble
109 S G -1.2859 Soluble
110 S G -0.6405 Soluble
113 G G -0.5428 Soluble
114 N G -0.8148 Soluble
115 H G -0.6387 Soluble
116 W G -0.2028 Soluble
117 V G -0.4772 Soluble
118 F G -0.3807 Soluble
119 G G 0.0000 Buried
120 G G -1.3386 Soluble
121 G G 0.0000 Buried
122 T G 0.0000 Buried
123 E G -2.3272 Soluble
124 L G 0.0000 Buried
125 T G -0.3404 Soluble
126 V G 0.0000 Buried
127 L G 0.4734 Aggregation-prone
128 G G -0.2375 Soluble
129 Q G -0.5422 Soluble
130 P G -1.0619 Soluble
131 K G -2.1584 Soluble
132 A G -1.2299 Soluble
133 A G -0.7668 Soluble
134 P G 0.0000 Buried
135 S G -0.4803 Soluble
136 V G 0.0000 Buried
137 T G -0.4800 Soluble
138 L G 0.0000 Buried
139 F G 0.0000 Buried
140 P G -0.0867 Soluble
141 P G -0.4461 Soluble
142 S G -1.0727 Soluble
143 S G -1.5933 Soluble
144 E G -2.0971 Soluble
145 E G 0.0000 Buried
146 L G -1.8621 Soluble
147 Q G -2.2201 Soluble
148 A G -1.7741 Soluble
149 N G -2.5164 Soluble
150 K G -2.2936 Soluble
151 A G 0.0000 Buried
152 T G 0.0000 Buried
153 L G 0.0000 Buried
154 V G 0.0000 Buried
155 C G 0.0000 Buried
156 L G 0.0000 Buried
157 I G 0.0000 Buried
158 S G -0.4830 Soluble
159 D G -0.9853 Soluble
160 F G 0.0000 Buried
161 Y G -1.0298 Soluble
162 P G -0.8688 Soluble
163 G G -0.5798 Soluble
164 A G -0.2218 Soluble
165 V G -0.1508 Soluble
166 T G -0.1652 Soluble
167 V G 0.0406 Aggregation-prone
168 A G -0.4412 Soluble
169 W G 0.0000 Buried
170 K G -1.0526 Soluble
171 A G 0.0000 Buried
172 D G -1.2622 Soluble
173 S G -0.8512 Soluble
174 S G -0.8056 Soluble
175 P G -0.9417 Soluble
176 V G -0.8111 Soluble
177 K G -1.5799 Soluble
178 A G -0.6527 Soluble
179 G G -0.2888 Soluble
180 V G 0.1402 Aggregation-prone
181 E G 0.1917 Aggregation-prone
182 T G 0.2259 Aggregation-prone
183 T G 0.0000 Buried
184 T G 0.0631 Aggregation-prone
185 P G -0.1992 Soluble
186 S G -0.5273 Soluble
187 K G -1.1312 Soluble
188 Q G -1.1459 Soluble
189 S G -1.2856 Soluble
190 N G -1.8469 Soluble
191 N G -1.8427 Soluble
192 K G -1.6109 Soluble
193 Y G -0.6610 Soluble
194 A G 0.0000 Buried
195 A G 0.0000 Buried
196 S G 0.0000 Buried
197 S G 0.0000 Buried
198 Y G 0.0000 Buried
199 L G 0.0000 Buried
200 S G -0.3246 Soluble
201 L G 0.0000 Buried
202 T G -1.7110 Soluble
203 P G -2.3663 Soluble
204 E G -3.0740 Soluble
205 Q G -2.2724 Soluble
206 W G 0.0000 Buried
207 K G -3.0800 Soluble
208 S G -2.3890 Soluble
209 H G -2.3567 Soluble
210 R G -2.5216 Soluble
211 S G -1.5077 Soluble
212 Y G 0.0000 Buried
213 S G 0.0000 Buried
214 C G 0.0000 Buried
215 Q G -1.2209 Soluble
216 V G 0.0000 Buried
217 T G -0.7620 Soluble
218 H G 0.0000 Buried
219 E G -2.3003 Soluble
220 G G -1.4554 Soluble
221 S G -0.9059 Soluble
222 T G -0.8265 Soluble
223 V G -0.8635 Soluble
224 E G -2.2547 Soluble
225 K G -1.8530 Soluble
226 T G -1.0324 Soluble
227 V G -0.3697 Soluble
228 A G -0.8313 Soluble
229 P G -0.9818 Soluble
230 T G -0.6631 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 -0.6791 3.3171 CSV PDB
4.5 -0.7187 3.3035 CSV PDB
5.0 -0.7659 3.2912 CSV PDB
5.5 -0.81 3.2831 CSV PDB
6.0 -0.8401 3.2836 CSV PDB
6.5 -0.8486 3.2925 CSV PDB
7.0 -0.8359 3.3011 CSV PDB
7.5 -0.8094 3.3017 CSV PDB
8.0 -0.7757 3.2958 CSV PDB
8.5 -0.7367 3.2894 CSV PDB
9.0 -0.6931 3.2856 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH