Belimumab / 5y9k

A4DAB037_5y9k_H_L | Source PDB: 5y9k | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6999
Max Score
2.6582
Min Score
-3.1369
Total Score
-297.47
Score CDR
-0.3226
Score non-CDR
-0.7525

Calculation Parameters

Chain Sequence(s) VQLQQSGAEVKKPGSSVRVSCKASGGTFNNNAINWVRQAPGQGLEWMGGIIPMFGTAKYSQNFQGRVAITADESTGTASMELSSLRSEDTAVYYCARSRDLLLFPHHALSPWGRGTMVTVSSASTKGPSVFPLAPGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKELTQDPAVSVALGQTVRVTCQGDSLRSYYASWYQQKPGQAPVLVIYGKNNRPSGIPDRFSGSSSGNTASLTITGAQAEDEADYYCSSRDSSGNHWVFGGGTELTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPT 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 -3.1369
Maximum Score 2.6582
Average Score -0.6999
Total Score -297.4657

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

Index Residue Chain A4D Score Classification
2 V H 0.9323 Aggregation-prone
3 Q H -1.1293 Soluble
4 L H 0.0000 Buried
5 Q H -2.3644 Soluble
6 Q H -1.5459 Soluble
7 S H -1.2540 Soluble
8 G H -0.9186 Soluble
9 A H -0.5881 Soluble
11 E H -0.8853 Soluble
12 V H -0.6903 Soluble
13 K H -1.5706 Soluble
14 K H -2.4484 Soluble
15 P H -2.2042 Soluble
16 G H -1.5722 Soluble
17 S H -1.2173 Soluble
18 S H -1.3364 Soluble
19 V H 0.0000 Buried
20 R H -2.1626 Soluble
21 V H 0.0000 Buried
22 S H -1.1223 Soluble
23 C H 0.0000 Buried
24 K H -1.8862 Soluble
25 A H 0.0000 Buried
26 S H -0.9378 Soluble
27 G H -0.7335 Soluble
28 G H -0.9804 Soluble
29 T H -1.3545 Soluble
30 F H 0.0000 Buried
35 N H -2.1276 Soluble
36 N H -1.5190 Soluble
37 N H -1.2089 Soluble
38 A H -0.2576 Soluble
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 -0.6539 Soluble
44 Q H 0.0000 Buried
45 A H -1.0789 Soluble
46 P H -0.8358 Soluble
47 G H -1.2801 Soluble
48 Q H -1.8071 Soluble
49 G H -1.3626 Soluble
50 L H 0.0000 Buried
51 E H -1.3888 Soluble
52 W H 0.0000 Buried
53 M H 0.0000 Buried
54 G H 0.0000 Buried
55 G H -0.3658 Soluble
56 I H 0.0000 Buried
57 I H 0.2870 Aggregation-prone
58 P H 0.0000 Buried
59 M H 0.5065 Aggregation-prone
62 F H 1.8998 Aggregation-prone
63 G H 0.5363 Aggregation-prone
64 T H 0.4714 Aggregation-prone
65 A H -0.1783 Soluble
66 K H -1.3512 Soluble
67 Y H -1.3478 Soluble
68 S H -1.7483 Soluble
69 Q H -2.4299 Soluble
70 N H -2.3566 Soluble
71 F H 0.0000 Buried
72 Q H -2.3693 Soluble
74 G H -1.5330 Soluble
75 R H -1.1851 Soluble
76 V H 0.0000 Buried
77 A H -0.8667 Soluble
78 I H 0.0000 Buried
79 T H -0.6186 Soluble
80 A H -0.8858 Soluble
81 D H -2.1538 Soluble
82 E H -2.1336 Soluble
83 S H -1.3990 Soluble
84 T H -1.3129 Soluble
85 G H 0.0000 Buried
86 T H -1.4993 Soluble
87 A H 0.0000 Buried
88 S H -1.0152 Soluble
89 M H 0.0000 Buried
90 E H -1.5145 Soluble
91 L H 0.0000 Buried
92 S H -1.0718 Soluble
93 S H -1.0980 Soluble
94 L H 0.0000 Buried
95 R H -2.9241 Soluble
96 S H -2.3404 Soluble
97 E H -2.4862 Soluble
98 D H 0.0000 Buried
99 T H -0.9820 Soluble
100 A H 0.0000 Buried
101 V H -0.0367 Soluble
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 -0.4251 Soluble
107 S H 0.0000 Buried
108 R H -0.7694 Soluble
109 D H 0.2867 Aggregation-prone
110 L H 1.7273 Aggregation-prone
111 L H 2.6582 Aggregation-prone
111A L H 2.4975 Aggregation-prone
112B F H 1.4790 Aggregation-prone
112A P H 0.9735 Aggregation-prone
112 H H -0.2650 Soluble
113 H H -0.4398 Soluble
114 A H 0.0000 Buried
115 L H 0.0000 Buried
116 S H -0.0444 Soluble
117 P H -0.0574 Soluble
118 W H -0.5890 Soluble
119 G H 0.0000 Buried
120 R H -2.3538 Soluble
121 G H -1.2697 Soluble
122 T H 0.0000 Buried
123 M H -0.2181 Soluble
124 V H 0.0000 Buried
125 T H -0.8481 Soluble
126 V H 0.0000 Buried
127 S H -1.3794 Soluble
128 S H -1.1622 Soluble
129 A H -0.5379 Soluble
130 S H -0.6315 Soluble
131 T H -0.6546 Soluble
132 K H -1.2708 Soluble
133 G H -1.4089 Soluble
134 P H -0.7143 Soluble
135 S H -0.4147 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.1720 Soluble
139 L H 0.0000 Buried
140 A H -1.2300 Soluble
141 P H -0.7936 Soluble
142 G H -0.6401 Soluble
143 T H -0.4782 Soluble
144 A H -0.2619 Soluble
145 A H -0.0901 Soluble
146 L H 0.0000 Buried
147 G H 0.0000 Buried
148 C H 0.0000 Buried
149 L H 0.0000 Buried
150 V H 0.0000 Buried
151 K H -0.4059 Soluble
152 D H -0.5581 Soluble
153 Y H 0.0000 Buried
154 F H -0.2202 Soluble
155 P H 0.0000 Buried
156 E H -0.2818 Soluble
157 P H -0.4682 Soluble
158 V H -0.2292 Soluble
159 T H -0.4095 Soluble
160 V H -0.4063 Soluble
161 S H -0.3766 Soluble
162 W H 0.0000 Buried
163 N H -0.6660 Soluble
164 S H -0.6472 Soluble
165 G H -0.4613 Soluble
166 A H -0.1897 Soluble
167 L H 0.0733 Aggregation-prone
168 T H -0.1769 Soluble
169 S H -0.2748 Soluble
170 G H -0.3847 Soluble
171 V H 0.0867 Aggregation-prone
172 H H -0.2081 Soluble
173 T H -0.0418 Soluble
174 F H 0.0000 Buried
175 P H -0.0711 Soluble
176 A H 0.3229 Aggregation-prone
177 V H 0.0000 Buried
178 L H 1.3175 Aggregation-prone
179 Q H 0.3100 Aggregation-prone
180 S H -0.1074 Soluble
181 S H -0.2042 Soluble
182 G H 0.1181 Aggregation-prone
183 L H 0.1623 Aggregation-prone
184 Y H 0.3787 Aggregation-prone
185 S H 0.0000 Buried
186 L H 0.0000 Buried
187 S H 0.0000 Buried
188 S H 0.0000 Buried
189 V H 0.0000 Buried
190 V H 0.0000 Buried
191 T H -0.2630 Soluble
192 V H 0.0000 Buried
193 P H -0.6029 Soluble
194 S H -0.5232 Soluble
195 S H -0.6096 Soluble
196 S H -0.6039 Soluble
197 L H -0.8217 Soluble
198 G H -0.9775 Soluble
199 T H -0.9003 Soluble
200 Q H -1.2060 Soluble
201 T H -1.0126 Soluble
202 Y H 0.0000 Buried
203 I H -1.1063 Soluble
204 C H 0.0000 Buried
205 N H -1.5238 Soluble
206 V H 0.0000 Buried
207 N H -1.5825 Soluble
208 H H 0.0000 Buried
209 K H -2.0109 Soluble
210 P H -1.3036 Soluble
211 S H -1.5677 Soluble
212 N H -2.2385 Soluble
213 T H -2.0635 Soluble
214 K H -2.5603 Soluble
215 V H -1.6892 Soluble
216 D H -2.5567 Soluble
217 K H -2.0201 Soluble
218 K H -2.2274 Soluble
219 V H 0.0000 Buried
220 E H -2.7925 Soluble
221 P H -1.8812 Soluble
222 K H -2.2740 Soluble
3 E L -2.2435 Soluble
4 L L 0.0000 Buried
5 T L -1.2263 Soluble
6 Q L -1.4215 Soluble
7 D L -2.0406 Soluble
8 P L -1.5916 Soluble
9 A L -1.2202 Soluble
11 V L -0.8248 Soluble
12 S L -0.1812 Soluble
13 V L 0.0000 Buried
14 A L 0.1311 Aggregation-prone
15 L L 0.4251 Aggregation-prone
16 G L -0.5612 Soluble
17 Q L -1.1024 Soluble
18 T L -1.1440 Soluble
19 V L 0.0000 Buried
20 R L -1.8578 Soluble
21 V L 0.0000 Buried
22 T L -1.0132 Soluble
23 C L 0.0000 Buried
24 Q L -1.9149 Soluble
25 G L 0.0000 Buried
26 D L -2.8054 Soluble
27 S L 0.0000 Buried
28 L L 0.0000 Buried
29 R L -2.7060 Soluble
36 S L -1.4064 Soluble
37 Y L -0.6252 Soluble
38 Y L -0.6266 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 0.0000 Buried
44 Q L 0.0000 Buried
45 K L -1.3600 Soluble
46 P L -1.1342 Soluble
47 G L -1.2367 Soluble
48 Q L -1.0882 Soluble
49 A L -0.6687 Soluble
50 P L 0.0000 Buried
51 V L 1.0312 Aggregation-prone
52 L L 0.0000 Buried
53 V L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -1.1826 Soluble
56 G L -1.5381 Soluble
57 K L -2.6830 Soluble
65 N L -2.6154 Soluble
66 N L -2.4113 Soluble
67 R L -2.2144 Soluble
68 P L -0.7421 Soluble
69 S L -0.7190 Soluble
70 G L -0.8968 Soluble
71 I L -0.8257 Soluble
72 P L -1.3515 Soluble
74 D L -2.2824 Soluble
75 R L -1.3332 Soluble
76 F L 0.0000 Buried
77 S L -1.6704 Soluble
78 G L -1.4658 Soluble
79 S L -1.0794 Soluble
80 S L -1.2177 Soluble
83 S L -1.0070 Soluble
84 G L -1.6976 Soluble
85 N L -2.0788 Soluble
86 T L -1.3324 Soluble
87 A L 0.0000 Buried
88 S L -0.8873 Soluble
89 L L 0.0000 Buried
90 T L -0.9391 Soluble
91 I L 0.0000 Buried
92 T L -1.1315 Soluble
93 G L -0.7358 Soluble
94 A L 0.0000 Buried
95 Q L -1.1515 Soluble
96 A L -1.0940 Soluble
97 E L -2.3225 Soluble
98 D L 0.0000 Buried
99 E L 0.0000 Buried
100 A L 0.0000 Buried
101 D L -1.6207 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 -0.5640 Soluble
108 D L -1.3576 Soluble
109 S L -1.4089 Soluble
110 S L -0.7344 Soluble
113 G L -0.6309 Soluble
114 N L -1.1423 Soluble
115 H L -1.0789 Soluble
116 W L 0.0000 Buried
117 V L -0.6223 Soluble
118 F L -0.4925 Soluble
119 G L 0.0000 Buried
120 G L -1.5607 Soluble
121 G L -1.4270 Soluble
122 T L 0.0000 Buried
123 E L -2.3267 Soluble
124 L L 0.0000 Buried
125 T L -0.2204 Soluble
126 V L 0.0000 Buried
127 L L 0.5775 Aggregation-prone
128 G L -0.0827 Soluble
129 Q L 0.0000 Buried
130 P L -1.0876 Soluble
131 K L -2.0565 Soluble
132 A L -1.2180 Soluble
133 A L -0.7591 Soluble
134 P L 0.0000 Buried
135 S L -0.3737 Soluble
136 V L 0.0000 Buried
137 T L -0.3078 Soluble
138 L L -0.2332 Soluble
139 F L 0.0000 Buried
140 P L -0.0064 Soluble
141 P L 0.0000 Buried
142 S L -1.1200 Soluble
143 S L -1.6905 Soluble
144 E L -2.2240 Soluble
145 E L 0.0000 Buried
146 L L -1.9953 Soluble
147 Q L -2.3035 Soluble
148 A L -1.8850 Soluble
149 N L -2.7029 Soluble
150 K L -2.6540 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 -0.5550 Soluble
159 D L -1.1034 Soluble
160 F L 0.0000 Buried
161 Y L -0.8934 Soluble
162 P L -0.8291 Soluble
163 G L -0.4281 Soluble
164 A L -0.2194 Soluble
165 V L -0.1890 Soluble
166 T L -0.1897 Soluble
167 V L 0.0000 Buried
168 A L -0.5905 Soluble
169 W L 0.0000 Buried
170 K L -0.9884 Soluble
171 A L 0.0000 Buried
172 D L -1.1796 Soluble
173 S L -0.8093 Soluble
174 S L -0.7016 Soluble
175 P L -0.8372 Soluble
176 V L -0.8298 Soluble
177 K L -1.6851 Soluble
178 A L -0.8763 Soluble
179 G L -0.7606 Soluble
180 V L -0.5434 Soluble
181 E L -0.3077 Soluble
182 T L 0.0462 Aggregation-prone
183 T L 0.1182 Aggregation-prone
184 T L -0.1019 Soluble
185 P L -0.2268 Soluble
186 S L -0.4282 Soluble
187 K L -1.0043 Soluble
188 Q L -1.1606 Soluble
189 S L -1.5260 Soluble
190 N L -1.8380 Soluble
191 N L 0.0000 Buried
192 K L -1.1710 Soluble
193 Y L -0.5847 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 -0.6552 Soluble
201 L L 0.0000 Buried
202 T L -1.8618 Soluble
203 P L -2.4770 Soluble
204 E L -3.1369 Soluble
205 Q L -2.2806 Soluble
206 W L 0.0000 Buried
207 K L -3.0719 Soluble
208 S L -2.3625 Soluble
209 H L -2.2756 Soluble
210 R L -2.4322 Soluble
211 S L -1.4468 Soluble
212 Y L 0.0000 Buried
213 S L 0.0000 Buried
214 C L 0.0000 Buried
215 Q L -0.9614 Soluble
216 V L 0.0000 Buried
217 T L -0.6824 Soluble
218 H L 0.0000 Buried
219 E L -2.2511 Soluble
220 G L -1.4108 Soluble
221 S L -0.8631 Soluble
222 T L -0.8016 Soluble
223 V L -0.6479 Soluble
224 E L -1.6925 Soluble
225 K L -1.4181 Soluble
226 T L -0.7785 Soluble
227 V L -0.3011 Soluble
228 A L -0.8564 Soluble
229 P L -0.9945 Soluble
230 T L -0.6532 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
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 -0.6391 4.7931 CSV PDB
4.5 -0.6784 4.7596 CSV PDB
5.0 -0.7244 4.7142 CSV PDB
5.5 -0.7678 4.6646 CSV PDB
6.0 -0.7986 4.6185 CSV PDB
6.5 -0.8088 4.5835 CSV PDB
7.0 -0.798 4.5637 CSV PDB
7.5 -0.7735 4.5552 CSV PDB
8.0 -0.7416 4.5522 CSV PDB
8.5 -0.7044 4.5512 CSV PDB
9.0 -0.6623 4.5509 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH