Belimumab / 5y9j

A4DAB037_5y9j_H_L | Source PDB: 5y9j | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.729
Max Score
2.5993
Min Score
-3.1906
Total Score
-312.0
Score CDR
-0.2865
Score non-CDR
-0.7902

Calculation Parameters

Chain Sequence(s) VQLQQSGAEVKKPGSSVRVSCKASGGTFNNNAINWVRQAPGQGLEWMGGIIPMFGTAKYSQNFQGRVAITADESTGTASMELSSLRSEDTAVYYCARSRDLLLFPHHALSPWGRGTMVTVSSASTKGPSVFPLAPSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSELTQDPAVSVALGQTVRVTCQGDSLRSYYASWYQQKPGQAPVLVIYGKNNRPSGIPDRFSGSSSGNTASLTITGAQAEDEADYYCSSRDSSGNHWVFGGGTELTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPT 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 -3.1906
Maximum Score 2.5993
Average Score -0.729
Total Score -312.0006

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

Index Residue Chain A4D Score Classification
2 V H 1.0260 Aggregation-prone
3 Q H -1.0923 Soluble
4 L H 0.0000 Buried
5 Q H -2.2834 Soluble
6 Q H -1.4877 Soluble
7 S H -1.2596 Soluble
8 G H -1.0724 Soluble
9 A H -0.7155 Soluble
11 E H -1.1918 Soluble
12 V H -0.7319 Soluble
13 K H -1.7535 Soluble
14 K H -2.4746 Soluble
15 P H -2.1700 Soluble
16 G H -1.6390 Soluble
17 S H -1.3376 Soluble
18 S H -1.6064 Soluble
19 V H 0.0000 Buried
20 R H -2.4803 Soluble
21 V H 0.0000 Buried
22 S H -1.1686 Soluble
23 C H 0.0000 Buried
24 K H -1.7466 Soluble
25 A H 0.0000 Buried
26 S H -0.9706 Soluble
27 G H -0.7779 Soluble
28 G H -1.0963 Soluble
29 T H -1.4383 Soluble
30 F H 0.0000 Buried
35 N H -1.6807 Soluble
36 N H -0.6602 Soluble
37 N H -0.4741 Soluble
38 A H 0.0000 Buried
39 I H 0.0000 Buried
40 N H 0.0000 Buried
41 W H 0.0000 Buried
42 V H 0.0000 Buried
43 R H -0.6283 Soluble
44 Q H -0.8292 Soluble
45 A H -1.1230 Soluble
46 P H -1.0946 Soluble
47 G H -1.2451 Soluble
48 Q H -1.8245 Soluble
49 G H -1.3600 Soluble
50 L H 0.0000 Buried
51 E H -1.2530 Soluble
52 W H 0.0000 Buried
53 M H 0.0000 Buried
54 G H 0.0000 Buried
55 G H 0.0000 Buried
56 I H 0.3687 Aggregation-prone
57 I H 0.2496 Aggregation-prone
58 P H -0.3303 Soluble
59 M H 0.5077 Aggregation-prone
62 F H 1.3690 Aggregation-prone
63 G H 0.3181 Aggregation-prone
64 T H 0.0248 Aggregation-prone
65 A H -0.1763 Soluble
66 K H -0.9234 Soluble
67 Y H -0.4426 Soluble
68 S H -1.2298 Soluble
69 Q H -2.1380 Soluble
70 N H -2.2950 Soluble
71 F H 0.0000 Buried
72 Q H -2.1345 Soluble
74 G H -1.4933 Soluble
75 R H -1.2717 Soluble
76 V H -1.1265 Soluble
77 A H -0.7211 Soluble
78 I H 0.0000 Buried
79 T H -0.6537 Soluble
80 A H -1.1045 Soluble
81 D H -2.3042 Soluble
82 E H -2.3879 Soluble
83 S H -1.5972 Soluble
84 T H -1.3543 Soluble
85 G H 0.0000 Buried
86 T H -1.4667 Soluble
87 A H 0.0000 Buried
88 S H -1.0881 Soluble
89 M H 0.0000 Buried
90 E H -2.0343 Soluble
91 L H 0.0000 Buried
92 S H -1.3548 Soluble
93 S H -1.2955 Soluble
94 L H 0.0000 Buried
95 R H -2.8088 Soluble
96 S H -2.2853 Soluble
97 E H -2.4988 Soluble
98 D H 0.0000 Buried
99 T H -1.0488 Soluble
100 A H 0.0000 Buried
101 V H 0.0463 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 -0.2897 Soluble
107 S H 0.0000 Buried
108 R H -0.2806 Soluble
109 D H 0.8753 Aggregation-prone
110 L H 1.8097 Aggregation-prone
111 L H 2.5993 Aggregation-prone
111A L H 2.3423 Aggregation-prone
112B F H 1.2745 Aggregation-prone
112A P H 0.7628 Aggregation-prone
112 H H -0.6431 Soluble
113 H H -0.6332 Soluble
114 A H 0.0000 Buried
115 L H 0.0000 Buried
116 S H 0.0477 Aggregation-prone
117 P H 0.0313 Aggregation-prone
118 W H -0.3437 Soluble
119 G H 0.0000 Buried
120 R H -2.3687 Soluble
121 G H 0.0000 Buried
122 T H 0.0000 Buried
123 M H -0.0660 Soluble
124 V H 0.0000 Buried
125 T H -0.6642 Soluble
126 V H 0.0000 Buried
127 S H -1.3377 Soluble
128 S H -1.0137 Soluble
129 A H -0.6254 Soluble
130 S H -0.7528 Soluble
131 T H -0.7927 Soluble
132 K H -1.3621 Soluble
133 G H -1.5562 Soluble
134 P H 0.0000 Buried
135 S H -0.3775 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -0.9865 Soluble
139 L H 0.0000 Buried
140 A H -1.2665 Soluble
141 P H 0.0000 Buried
142 S H -0.5563 Soluble
143 G H -0.8255 Soluble
144 G H -0.8604 Soluble
145 T H -0.5876 Soluble
146 A H 0.0000 Buried
147 A H -0.0883 Soluble
148 L H 0.0000 Buried
149 G H 0.0000 Buried
150 C H 0.0000 Buried
151 L H 0.0000 Buried
152 V H 0.0000 Buried
153 K H -0.4100 Soluble
154 D H -0.5955 Soluble
155 Y H 0.0000 Buried
156 F H 0.0000 Buried
157 P H 0.0000 Buried
158 E H -0.3191 Soluble
159 P H -0.5722 Soluble
160 V H -0.5368 Soluble
161 T H -0.4784 Soluble
162 V H -0.3399 Soluble
163 S H -0.3856 Soluble
164 W H 0.0000 Buried
165 N H -0.7245 Soluble
166 S H -0.6577 Soluble
167 G H -0.5732 Soluble
168 A H -0.2436 Soluble
169 L H 0.0218 Aggregation-prone
170 T H -0.1947 Soluble
171 S H -0.2518 Soluble
172 G H -0.3176 Soluble
173 V H 0.1106 Aggregation-prone
174 H H -0.2098 Soluble
175 T H -0.0865 Soluble
176 F H 0.0000 Buried
177 P H -0.0118 Soluble
178 A H 0.2751 Aggregation-prone
179 V H 0.0000 Buried
180 L H 1.0630 Aggregation-prone
181 Q H 0.1760 Aggregation-prone
182 S H -0.1883 Soluble
183 S H -0.2014 Soluble
184 G H 0.0335 Aggregation-prone
185 L H 0.0290 Aggregation-prone
186 Y H 0.3186 Aggregation-prone
187 S H 0.0000 Buried
188 L H 0.0000 Buried
189 S H 0.0000 Buried
190 S H 0.0000 Buried
191 V H 0.0000 Buried
192 V H 0.0000 Buried
193 T H -0.2285 Soluble
194 V H 0.0000 Buried
195 P H -0.6820 Soluble
196 S H -0.6499 Soluble
197 S H -0.7384 Soluble
198 S H -0.6596 Soluble
199 L H -0.8794 Soluble
200 G H -1.0323 Soluble
201 T H -0.8010 Soluble
202 Q H -1.4334 Soluble
203 T H -1.1451 Soluble
204 Y H 0.0000 Buried
205 I H -1.0307 Soluble
206 C H 0.0000 Buried
207 N H -1.3791 Soluble
208 V H 0.0000 Buried
209 N H -1.8373 Soluble
210 H H 0.0000 Buried
211 K H -2.8509 Soluble
212 P H -1.7421 Soluble
213 S H -1.8957 Soluble
214 N H -2.5779 Soluble
215 T H -2.0858 Soluble
216 K H -2.6491 Soluble
217 V H -1.5159 Soluble
218 D H -2.4473 Soluble
219 K H -1.9459 Soluble
220 K H -2.4486 Soluble
221 V H 0.0000 Buried
222 E H -2.8309 Soluble
223 P H -1.9175 Soluble
224 K H -2.2774 Soluble
2 S L -1.6070 Soluble
3 E L -2.4017 Soluble
4 L L 0.0000 Buried
5 T L -1.2925 Soluble
6 Q L -1.5177 Soluble
7 D L -2.2679 Soluble
8 P L -1.6066 Soluble
9 A L -1.1379 Soluble
11 V L -0.6469 Soluble
12 S L 0.0182 Aggregation-prone
13 V L 0.0000 Buried
14 A L 0.2273 Aggregation-prone
15 L L 0.2814 Aggregation-prone
16 G L -0.7304 Soluble
17 Q L -1.1585 Soluble
18 T L -1.1990 Soluble
19 V L 0.0000 Buried
20 R L -1.8576 Soluble
21 V L 0.0000 Buried
22 T L -1.0671 Soluble
23 C L 0.0000 Buried
24 Q L -1.9464 Soluble
25 G L -2.3063 Soluble
26 D L -2.9798 Soluble
27 S L 0.0000 Buried
28 L L 0.0000 Buried
29 R L -2.7670 Soluble
36 S L -1.4127 Soluble
37 Y L -0.8233 Soluble
38 Y L -0.4911 Soluble
39 A L 0.0000 Buried
40 S L 0.0000 Buried
41 W L 0.0000 Buried
42 Y L 0.0000 Buried
43 Q L -0.3527 Soluble
44 Q L 0.0000 Buried
45 K L -1.7790 Soluble
46 P L -1.4184 Soluble
47 G L -1.3870 Soluble
48 Q L -1.8743 Soluble
49 A L -1.0099 Soluble
50 P L 0.0000 Buried
51 V L 1.0253 Aggregation-prone
52 L L 0.0000 Buried
53 V L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -1.1658 Soluble
56 G L -1.6313 Soluble
57 K L -2.6414 Soluble
65 N L -2.5629 Soluble
66 N L -2.2250 Soluble
67 R L -2.0239 Soluble
68 P L -0.7264 Soluble
69 S L -0.8693 Soluble
70 G L -0.8682 Soluble
71 I L -0.7665 Soluble
72 P L -1.3234 Soluble
74 D L -2.2305 Soluble
75 R L -1.3197 Soluble
76 F L 0.0000 Buried
77 S L -1.6066 Soluble
78 G L -1.3790 Soluble
79 S L -0.8636 Soluble
80 S L -1.0760 Soluble
83 S L -1.0292 Soluble
84 G L -1.7558 Soluble
85 N L -2.1354 Soluble
86 T L -1.3153 Soluble
87 A L 0.0000 Buried
88 S L 0.0000 Buried
89 L L 0.0000 Buried
90 T L -0.9380 Soluble
91 I L 0.0000 Buried
92 T L -1.1656 Soluble
93 G L -0.8046 Soluble
94 A L 0.0000 Buried
95 Q L -1.1517 Soluble
96 A L -1.1598 Soluble
97 E L -2.3713 Soluble
98 D L 0.0000 Buried
99 E L -1.3290 Soluble
100 A L 0.0000 Buried
101 D L -1.6448 Soluble
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 S L 0.0000 Buried
106 S L 0.0000 Buried
107 R L -0.5937 Soluble
108 D L -1.3190 Soluble
109 S L -1.5497 Soluble
110 S L -0.6750 Soluble
113 G L 0.0000 Buried
114 N L -0.8424 Soluble
115 H L -0.7487 Soluble
116 W L -0.3379 Soluble
117 V L -0.6009 Soluble
118 F L -0.4884 Soluble
119 G L 0.0000 Buried
120 G L -1.5740 Soluble
121 G L -1.4176 Soluble
122 T L 0.0000 Buried
123 E L -2.1224 Soluble
124 L L 0.0000 Buried
125 T L -0.1083 Soluble
126 V L 0.0000 Buried
127 L L 1.0681 Aggregation-prone
128 G L 0.0216 Aggregation-prone
129 Q L -0.4236 Soluble
130 P L -1.1165 Soluble
131 K L -2.1698 Soluble
132 A L -1.3297 Soluble
133 A L -0.8387 Soluble
134 P L 0.0000 Buried
135 S L -0.5440 Soluble
136 V L 0.0000 Buried
137 T L -0.3755 Soluble
138 L L -0.2866 Soluble
139 F L 0.0000 Buried
140 P L -0.0477 Soluble
141 P L 0.0000 Buried
142 S L -1.1003 Soluble
143 S L -1.6350 Soluble
144 E L -2.1730 Soluble
145 E L 0.0000 Buried
146 L L -2.0616 Soluble
147 Q L -2.3157 Soluble
148 A L -1.9339 Soluble
149 N L -2.8011 Soluble
150 K L -2.9102 Soluble
151 A L 0.0000 Buried
152 T L 0.0000 Buried
153 L L 0.0000 Buried
154 V L 0.0000 Buried
155 C L 0.0000 Buried
156 L L 0.0000 Buried
157 I L 0.0000 Buried
158 S L -0.6535 Soluble
159 D L -1.3443 Soluble
160 F L 0.0000 Buried
161 Y L -1.1214 Soluble
162 P L -0.9809 Soluble
163 G L -0.6669 Soluble
164 A L -0.1925 Soluble
165 V L -0.1098 Soluble
166 T L -0.1225 Soluble
167 V L 0.0555 Aggregation-prone
168 A L -0.4779 Soluble
169 W L 0.0000 Buried
170 K L -1.0173 Soluble
171 A L 0.0000 Buried
172 D L -1.8703 Soluble
173 S L -1.1449 Soluble
174 S L -0.7365 Soluble
175 P L -0.9097 Soluble
176 V L -0.9508 Soluble
177 K L -1.6948 Soluble
178 A L -0.8894 Soluble
179 G L -0.7783 Soluble
180 V L -0.5917 Soluble
181 E L -0.4664 Soluble
182 T L -0.0055 Soluble
183 T L 0.0519 Aggregation-prone
184 T L 0.0421 Aggregation-prone
185 P L -0.2059 Soluble
186 S L -0.4779 Soluble
187 K L -1.0763 Soluble
188 Q L -1.1785 Soluble
189 S L -1.4084 Soluble
190 N L -1.8654 Soluble
191 N L -1.6551 Soluble
192 K L -1.5827 Soluble
193 Y L -0.7447 Soluble
194 A L 0.0000 Buried
195 A L 0.0000 Buried
196 S L 0.0000 Buried
197 S L 0.0000 Buried
198 Y L 0.0000 Buried
199 L L 0.0000 Buried
200 S L -0.7050 Soluble
201 L L 0.0000 Buried
202 T L -1.9651 Soluble
203 P L -2.5590 Soluble
204 E L -3.1906 Soluble
205 Q L -2.3196 Soluble
206 W L 0.0000 Buried
207 K L -3.0846 Soluble
208 S L -2.4556 Soluble
209 H L -2.4511 Soluble
210 R L -2.6179 Soluble
211 S L 0.0000 Buried
212 Y L 0.0000 Buried
213 S L 0.0000 Buried
214 C L 0.0000 Buried
215 Q L -0.9921 Soluble
216 V L 0.0000 Buried
217 T L -0.6945 Soluble
218 H L 0.0000 Buried
219 E L -2.2744 Soluble
220 G L -1.4453 Soluble
221 S L -0.8896 Soluble
222 T L -0.7528 Soluble
223 V L -0.7207 Soluble
224 E L -1.9183 Soluble
225 K L -1.6238 Soluble
226 T L -0.9371 Soluble
227 V L -0.3830 Soluble
228 A L -0.8836 Soluble
229 P L -1.0338 Soluble
230 T L -0.6045 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 -0.6847 3.5854 CSV PDB
4.5 -0.7286 3.5517 CSV PDB
5.0 -0.7794 3.5048 CSV PDB
5.5 -0.827 3.4528 CSV PDB
6.0 -0.8605 3.4035 CSV PDB
6.5 -0.8717 3.3652 CSV PDB
7.0 -0.8606 3.3428 CSV PDB
7.5 -0.8349 3.333 CSV PDB
8.0 -0.8013 3.3295 CSV PDB
8.5 -0.7617 3.3283 CSV PDB
9.0 -0.7164 3.328 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH