Belimumab / 6fxn

A4DAB037_6fxn_M_N | Source PDB: 6fxn | Chains: M, N | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6973
Max Score
2.5601
Min Score
-3.0474
Total Score
-296.34
Score CDR
-0.322
Score non-CDR
-0.7496

Calculation Parameters

Chain Sequence(s) VQLQQSGAEVKKPGSSVRVSCKASGGTFNNNAINWVRQAPGQGLEWMGGIIPMFGTAKYSQNFQGRVAITADESTGTASMELSSLRSEDTAVYYCARSRDLLLFPHHALSPWGRGTMVTVSSASTKGPSVFPLAPSTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPSELTQDPAVSVALGQTVRVTCQGDSLRSYYASWYQQKPGQAPVLVIYGKNNRPSGIPDRFSGSSSGNTASLTITGAQAEDEADYYCSSRDSSGNHWVFGGGTELTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPT input.pdb
Selected Chain(s) M (Heavy), N (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 -3.0474
Maximum Score 2.5601
Average Score -0.6973
Total Score -296.3361

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

Index Residue Chain A4D Score Classification
2 V M 1.0611 Aggregation-prone
3 Q M -1.0428 Soluble
4 L M 0.0000 Buried
5 Q M -2.2311 Soluble
6 Q M -1.4721 Soluble
7 S M -1.2505 Soluble
8 G M -1.1241 Soluble
9 A M -0.9503 Soluble
11 E M -1.4637 Soluble
12 V M -0.8113 Soluble
13 K M -1.7077 Soluble
14 K M -2.3985 Soluble
15 P M -2.0736 Soluble
16 G M -1.5136 Soluble
17 S M -1.2416 Soluble
18 S M -1.4653 Soluble
19 V M 0.0000 Buried
20 R M -2.4449 Soluble
21 V M 0.0000 Buried
22 S M -1.0898 Soluble
23 C M 0.0000 Buried
24 K M -1.4783 Soluble
25 A M 0.0000 Buried
26 S M -0.8013 Soluble
27 G M -0.7418 Soluble
28 G M -1.0700 Soluble
29 T M -1.4393 Soluble
30 F M 0.0000 Buried
35 N M -1.8584 Soluble
36 N M -0.7834 Soluble
37 N M -0.7596 Soluble
38 A M -0.1643 Soluble
39 I M 0.0000 Buried
40 N M 0.0000 Buried
41 W M 0.0000 Buried
42 V M 0.0000 Buried
43 R M -0.4800 Soluble
44 Q M -0.7033 Soluble
45 A M -1.0164 Soluble
46 P M -0.9080 Soluble
47 G M -1.2488 Soluble
48 Q M -1.7698 Soluble
49 G M -1.2290 Soluble
50 L M 0.0000 Buried
51 E M -0.8699 Soluble
52 W M 0.0000 Buried
53 M M 0.0000 Buried
54 G M 0.0000 Buried
55 G M 0.0000 Buried
56 I M 0.2045 Aggregation-prone
57 I M 0.1085 Aggregation-prone
58 P M -0.2519 Soluble
59 M M 0.5919 Aggregation-prone
62 F M 1.2820 Aggregation-prone
63 G M 0.2222 Aggregation-prone
64 T M -0.1824 Soluble
65 A M -0.4999 Soluble
66 K M -1.5803 Soluble
67 Y M -0.8128 Soluble
68 S M -1.3389 Soluble
69 Q M -2.2332 Soluble
70 N M -2.2461 Soluble
71 F M 0.0000 Buried
72 Q M -2.1176 Soluble
74 G M -1.4896 Soluble
75 R M -1.2099 Soluble
76 V M -1.1491 Soluble
77 A M -0.7558 Soluble
78 I M 0.0000 Buried
79 T M -0.3858 Soluble
80 A M -0.8765 Soluble
81 D M -2.0473 Soluble
82 E M -2.3425 Soluble
83 S M -1.4087 Soluble
84 T M -1.2077 Soluble
85 G M 0.0000 Buried
86 T M -1.3205 Soluble
87 A M 0.0000 Buried
88 S M 0.0000 Buried
89 M M 0.0000 Buried
90 E M -1.9007 Soluble
91 L M 0.0000 Buried
92 S M -1.2481 Soluble
93 S M -1.1771 Soluble
94 L M 0.0000 Buried
95 R M -2.6954 Soluble
96 S M -2.1798 Soluble
97 E M -2.4354 Soluble
98 D M 0.0000 Buried
99 T M -0.9318 Soluble
100 A M 0.0000 Buried
101 V M 0.0181 Aggregation-prone
102 Y M 0.0000 Buried
103 Y M 0.0000 Buried
104 C M 0.0000 Buried
105 A M 0.0000 Buried
106 R M -0.4290 Soluble
107 S M 0.0000 Buried
108 R M -0.6705 Soluble
109 D M 0.4805 Aggregation-prone
110 L M 1.5320 Aggregation-prone
111 L M 2.5601 Aggregation-prone
111A L M 2.3412 Aggregation-prone
112B F M 1.2463 Aggregation-prone
112A P M 0.6986 Aggregation-prone
112 H M -0.7938 Soluble
113 H M -0.6988 Soluble
114 A M 0.0000 Buried
115 L M 0.0000 Buried
116 S M 0.0710 Aggregation-prone
117 P M 0.0835 Aggregation-prone
118 W M -0.3181 Soluble
119 G M 0.0000 Buried
120 R M -2.4083 Soluble
121 G M 0.0000 Buried
122 T M 0.0000 Buried
123 M M -0.3252 Soluble
124 V M 0.0000 Buried
125 T M -0.8791 Soluble
126 V M 0.0000 Buried
127 S M -1.1105 Soluble
128 S M -0.9240 Soluble
129 A M -0.5469 Soluble
130 S M -0.6904 Soluble
131 T M -0.8445 Soluble
132 K M -1.0850 Soluble
133 G M -1.2941 Soluble
134 P M 0.0000 Buried
135 S M -0.2784 Soluble
136 V M 0.0000 Buried
137 F M 0.0000 Buried
138 P M 0.0000 Buried
139 L M 0.0000 Buried
140 A M -0.9188 Soluble
141 P M -0.5342 Soluble
142 S M -0.4778 Soluble
143 T M -0.2378 Soluble
144 A M -0.1758 Soluble
145 A M -0.0600 Soluble
146 L M 0.0000 Buried
147 G M 0.0000 Buried
148 C M 0.0000 Buried
149 L M 0.0000 Buried
150 V M 0.0000 Buried
151 K M 0.0000 Buried
152 D M -0.3516 Soluble
153 Y M 0.0000 Buried
154 F M -0.3087 Soluble
155 P M 0.0000 Buried
156 E M -1.0619 Soluble
157 P M -1.0641 Soluble
158 V M 0.0000 Buried
159 T M -0.6609 Soluble
160 V M -0.3389 Soluble
161 S M -0.1900 Soluble
162 W M 0.0000 Buried
163 N M -0.6922 Soluble
164 S M -0.6465 Soluble
165 G M -0.5604 Soluble
166 A M -0.2177 Soluble
167 L M 0.0513 Aggregation-prone
168 T M -0.1679 Soluble
169 S M -0.2247 Soluble
170 G M -0.2780 Soluble
171 V M 0.2168 Aggregation-prone
172 H M -0.0858 Soluble
173 T M 0.0080 Aggregation-prone
174 F M 0.0000 Buried
175 P M -0.0844 Soluble
176 A M 0.1370 Aggregation-prone
177 V M 0.0000 Buried
178 L M 0.9573 Aggregation-prone
179 Q M 0.1467 Aggregation-prone
180 S M -0.2088 Soluble
181 S M -0.2263 Soluble
182 G M 0.0279 Aggregation-prone
183 L M 0.1445 Aggregation-prone
184 Y M 0.2487 Aggregation-prone
185 S M 0.0000 Buried
186 L M 0.0000 Buried
187 S M 0.0000 Buried
188 S M 0.0000 Buried
189 V M 0.1790 Aggregation-prone
190 V M 0.0000 Buried
191 T M -0.1681 Soluble
192 V M 0.0000 Buried
193 P M -0.4318 Soluble
194 S M -0.3989 Soluble
195 S M -0.4489 Soluble
196 S M -0.4530 Soluble
197 L M -0.6334 Soluble
198 G M -0.9993 Soluble
199 T M -0.5864 Soluble
200 Q M -1.0458 Soluble
201 T M -1.0677 Soluble
202 Y M 0.0000 Buried
203 I M -1.2727 Soluble
204 C M 0.0000 Buried
205 N M -1.4542 Soluble
206 V M 0.0000 Buried
207 N M -1.8461 Soluble
208 H M 0.0000 Buried
209 K M -2.9096 Soluble
210 P M -1.8374 Soluble
211 S M -1.7641 Soluble
212 N M -2.4971 Soluble
213 T M -2.0364 Soluble
214 K M -2.6492 Soluble
215 V M -1.5944 Soluble
216 D M -2.6597 Soluble
217 K M -2.3297 Soluble
218 K M -2.7566 Soluble
219 V M 0.0000 Buried
220 E M -2.5190 Soluble
221 P M -1.2007 Soluble
2 S N -1.3873 Soluble
3 E N -2.1977 Soluble
4 L N 0.0000 Buried
5 T N -1.3025 Soluble
6 Q N -1.3366 Soluble
7 D N -2.3283 Soluble
8 P N -1.7042 Soluble
9 A N -1.3515 Soluble
11 V N -1.0202 Soluble
12 S N -0.2013 Soluble
13 V N 0.0000 Buried
14 A N 0.0786 Aggregation-prone
15 L N 0.0171 Aggregation-prone
16 G N -0.8129 Soluble
17 Q N -1.2211 Soluble
18 T N -1.1608 Soluble
19 V N 0.0000 Buried
20 R N -1.8868 Soluble
21 V N 0.0000 Buried
22 T N -1.0271 Soluble
23 C N 0.0000 Buried
24 Q N -1.7953 Soluble
25 G N -1.9060 Soluble
26 D N -2.1859 Soluble
27 S N 0.0000 Buried
28 L N 0.0000 Buried
29 R N -2.5021 Soluble
36 S N -1.2185 Soluble
37 Y N -0.5797 Soluble
38 Y N -0.3528 Soluble
39 A N 0.0000 Buried
40 S N 0.0000 Buried
41 W N 0.0000 Buried
42 Y N 0.0000 Buried
43 Q N -0.3319 Soluble
44 Q N 0.0000 Buried
45 K N -1.7916 Soluble
46 P N -1.4345 Soluble
47 G N -1.3905 Soluble
48 Q N -1.8922 Soluble
49 A N -1.0019 Soluble
50 P N 0.0000 Buried
51 V N 1.1478 Aggregation-prone
52 L N 0.0000 Buried
53 V N 0.0000 Buried
54 I N 0.0000 Buried
55 Y N -1.0716 Soluble
56 G N -1.5128 Soluble
57 K N -2.4068 Soluble
65 N N -2.0502 Soluble
66 N N -2.0917 Soluble
67 R N -2.0155 Soluble
68 P N -0.6800 Soluble
69 S N -0.7138 Soluble
70 G N -0.8095 Soluble
71 I N -0.6531 Soluble
72 P N -1.2512 Soluble
74 D N -2.1448 Soluble
75 R N -1.2593 Soluble
76 F N 0.0000 Buried
77 S N -1.4394 Soluble
78 G N -1.2458 Soluble
79 S N -1.0179 Soluble
80 S N -1.1008 Soluble
83 S N -1.0746 Soluble
84 G N -1.7097 Soluble
85 N N -1.9253 Soluble
86 T N -1.2428 Soluble
87 A N 0.0000 Buried
88 S N 0.0000 Buried
89 L N 0.0000 Buried
90 T N -0.9138 Soluble
91 I N 0.0000 Buried
92 T N -1.1501 Soluble
93 G N -1.0053 Soluble
94 A N 0.0000 Buried
95 Q N -1.1459 Soluble
96 A N -1.1588 Soluble
97 E N -2.1196 Soluble
98 D N 0.0000 Buried
99 E N -1.3163 Soluble
100 A N 0.0000 Buried
101 D N -1.6613 Soluble
102 Y N 0.0000 Buried
103 Y N 0.0000 Buried
104 C N 0.0000 Buried
105 S N 0.0000 Buried
106 S N 0.0000 Buried
107 R N -0.6227 Soluble
108 D N -1.1503 Soluble
109 S N -1.2519 Soluble
110 S N -0.7131 Soluble
113 G N -0.6652 Soluble
114 N N -1.2261 Soluble
115 H N -0.9059 Soluble
116 W N -0.2586 Soluble
117 V N -0.4076 Soluble
118 F N -0.3458 Soluble
119 G N 0.0000 Buried
120 G N -1.6020 Soluble
121 G N 0.0000 Buried
122 T N 0.0000 Buried
123 E N -2.4731 Soluble
124 L N 0.0000 Buried
125 T N -0.2386 Soluble
126 V N 0.0000 Buried
127 L N 1.0501 Aggregation-prone
128 G N 0.0135 Aggregation-prone
129 Q N -0.4411 Soluble
130 P N -1.1059 Soluble
131 K N -2.2517 Soluble
132 A N -1.3265 Soluble
133 A N -0.8259 Soluble
134 P N 0.0000 Buried
135 S N -0.5494 Soluble
136 V N 0.0000 Buried
137 T N -0.4075 Soluble
138 L N 0.0000 Buried
139 F N 0.0000 Buried
140 P N -0.0968 Soluble
141 P N -0.4883 Soluble
142 S N -0.9510 Soluble
143 S N -1.5755 Soluble
144 E N -2.4981 Soluble
145 E N 0.0000 Buried
146 L N -1.9145 Soluble
147 Q N -2.3044 Soluble
148 A N -1.7703 Soluble
149 N N -2.4400 Soluble
150 K N -2.0654 Soluble
151 A N 0.0000 Buried
152 T N 0.0000 Buried
153 L N 0.0000 Buried
154 V N 0.0000 Buried
155 C N 0.0000 Buried
156 L N 0.0000 Buried
157 I N 0.0000 Buried
158 S N -0.6116 Soluble
159 D N -1.4454 Soluble
160 F N 0.0000 Buried
161 Y N -1.1456 Soluble
162 P N -0.9760 Soluble
163 G N -0.7066 Soluble
164 A N -0.2177 Soluble
165 V N -0.1376 Soluble
166 T N -0.1235 Soluble
167 V N 0.0851 Aggregation-prone
168 A N -0.3985 Soluble
169 W N 0.0000 Buried
170 K N -0.9357 Soluble
171 A N 0.0000 Buried
172 D N -1.6558 Soluble
173 S N -1.0555 Soluble
174 S N -0.8767 Soluble
175 P N -0.9305 Soluble
176 V N -0.8387 Soluble
177 K N -1.5993 Soluble
178 A N -0.7644 Soluble
179 G N -0.4713 Soluble
180 V N -0.1168 Soluble
181 E N -0.1812 Soluble
182 T N 0.0249 Aggregation-prone
183 T N -0.0190 Soluble
184 T N -0.1031 Soluble
185 P N -0.2546 Soluble
186 S N -0.5848 Soluble
187 K N -1.2109 Soluble
188 Q N -1.1726 Soluble
189 S N -1.2264 Soluble
190 N N -1.8299 Soluble
191 N N -1.7005 Soluble
192 K N -1.6245 Soluble
193 Y N -0.8054 Soluble
194 A N 0.0000 Buried
195 A N 0.0000 Buried
196 S N 0.0000 Buried
197 S N 0.0000 Buried
198 Y N 0.0000 Buried
199 L N 0.0000 Buried
200 S N -0.4718 Soluble
201 L N 0.0000 Buried
202 T N -1.6488 Soluble
203 P N -2.3158 Soluble
204 E N -3.0474 Soluble
205 Q N -2.2646 Soluble
206 W N 0.0000 Buried
207 K N -3.0455 Soluble
208 S N -2.4023 Soluble
209 H N -2.3991 Soluble
210 R N -2.5617 Soluble
211 S N 0.0000 Buried
212 Y N 0.0000 Buried
213 S N 0.0000 Buried
214 C N 0.0000 Buried
215 Q N -1.0292 Soluble
216 V N 0.0000 Buried
217 T N -0.7270 Soluble
218 H N 0.0000 Buried
219 E N -2.2829 Soluble
220 G N -1.4495 Soluble
221 S N -1.0667 Soluble
222 T N -0.8612 Soluble
223 V N -0.7151 Soluble
224 E N -1.9946 Soluble
225 K N -1.6090 Soluble
226 T N -0.9307 Soluble
227 V N -0.3664 Soluble
228 A N -0.8870 Soluble
229 P N -0.9493 Soluble
230 T N -0.2868 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 -0.6408 3.3554 CSV PDB
4.5 -0.6794 3.3249 CSV PDB
5.0 -0.7258 3.2827 CSV PDB
5.5 -0.7706 3.236 CSV PDB
6.0 -0.8035 3.2262 CSV PDB
6.5 -0.8168 3.2378 CSV PDB
7.0 -0.8095 3.2456 CSV PDB
7.5 -0.7876 3.243 CSV PDB
8.0 -0.7573 3.2333 CSV PDB
8.5 -0.7211 3.2217 CSV PDB
9.0 -0.6798 3.2122 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH