Belimumab / 6fxn

A4DAB037_6fxn_O_P | Source PDB: 6fxn | Chains: O, P | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.719
Max Score
2.9566
Min Score
-3.1066
Total Score
-305.59
Score CDR
-0.2509
Score non-CDR
-0.7843

Calculation Parameters

Chain Sequence(s) QVQLQQSGAEVKKPGSSVRVSCKASGGTFNNNAINWVRQAPGQGLEWMGGIIPMFGTAKYSQNFQGRVAITADESTGTASMELSSLRSEDTAVYYCARSRDLLLFPHHALSPWGRGTMVTVSSASTKGPSVFPLAPTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPSELTQDPAVSVALGQTVRVTCQGDSLRSYYASWYQQKPGQAPVLVIYGKNNRPSGIPDRFSGSSSGNTASLTITGAQAEDEADYYCSSRDSSGNHWVFGGGTELTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPT input.pdb
Selected Chain(s) O (Heavy), P (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 -3.1066
Maximum Score 2.9566
Average Score -0.719
Total Score -305.5929

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

Index Residue Chain A4D Score Classification
1 Q O -0.4565 Soluble
2 V O 0.8561 Aggregation-prone
3 Q O -1.1597 Soluble
4 L O 0.0000 Buried
5 Q O -2.1867 Soluble
6 Q O -1.5394 Soluble
7 S O -1.2116 Soluble
8 G O -1.1060 Soluble
9 A O -0.7851 Soluble
11 E O -1.4094 Soluble
12 V O -0.7697 Soluble
13 K O -1.6092 Soluble
14 K O -2.3323 Soluble
15 P O -1.8345 Soluble
16 G O -1.4469 Soluble
17 S O -1.1713 Soluble
18 S O -1.3464 Soluble
19 V O 0.0000 Buried
20 R O -2.5227 Soluble
21 V O 0.0000 Buried
22 S O -1.1212 Soluble
23 C O 0.0000 Buried
24 K O -1.5319 Soluble
25 A O 0.0000 Buried
26 S O -0.9520 Soluble
27 G O -0.8013 Soluble
28 G O -1.1937 Soluble
29 T O -1.2710 Soluble
30 F O 0.0000 Buried
35 N O -1.0774 Soluble
36 N O -0.3545 Soluble
37 N O 0.0000 Buried
38 A O 0.0000 Buried
39 I O 0.0000 Buried
40 N O 0.0000 Buried
41 W O 0.0000 Buried
42 V O 0.0000 Buried
43 R O -0.8386 Soluble
44 Q O -1.0075 Soluble
45 A O -1.1822 Soluble
46 P O -0.9376 Soluble
47 G O -1.3032 Soluble
48 Q O -1.9031 Soluble
49 G O -1.5190 Soluble
50 L O 0.0000 Buried
51 E O -2.0127 Soluble
52 W O 0.0000 Buried
53 M O 0.0000 Buried
54 G O 0.0000 Buried
55 G O 0.0000 Buried
56 I O 0.3021 Aggregation-prone
57 I O 0.2827 Aggregation-prone
58 P O -0.2926 Soluble
59 M O 0.5655 Aggregation-prone
62 F O 1.1302 Aggregation-prone
63 G O 0.1858 Aggregation-prone
64 T O -0.0754 Soluble
65 A O -0.2509 Soluble
66 K O -1.0281 Soluble
67 Y O -0.5257 Soluble
68 S O -1.3984 Soluble
69 Q O -2.1379 Soluble
70 N O -2.3936 Soluble
71 F O 0.0000 Buried
72 Q O -2.1289 Soluble
74 G O -1.5319 Soluble
75 R O -1.2655 Soluble
76 V O 0.0000 Buried
77 A O -0.8091 Soluble
78 I O 0.0000 Buried
79 T O -0.7260 Soluble
80 A O -1.1604 Soluble
81 D O -2.5062 Soluble
82 E O -2.5505 Soluble
83 S O -1.5731 Soluble
84 T O -1.3932 Soluble
85 G O 0.0000 Buried
86 T O -1.5068 Soluble
87 A O 0.0000 Buried
88 S O -1.1067 Soluble
89 M O 0.0000 Buried
90 E O -2.0591 Soluble
91 L O 0.0000 Buried
92 S O -1.1923 Soluble
93 S O -1.0360 Soluble
94 L O 0.0000 Buried
95 R O -2.6246 Soluble
96 S O -2.0941 Soluble
97 E O -2.4058 Soluble
98 D O 0.0000 Buried
99 T O -0.9179 Soluble
100 A O 0.0000 Buried
101 V O 0.0548 Aggregation-prone
102 Y O 0.0000 Buried
103 Y O 0.0000 Buried
104 C O 0.0000 Buried
105 A O 0.0000 Buried
106 R O -0.3163 Soluble
107 S O 0.0000 Buried
108 R O 0.0742 Aggregation-prone
109 D O 0.0000 Buried
110 L O 2.3649 Aggregation-prone
111 L O 2.9566 Aggregation-prone
111A L O 2.6792 Aggregation-prone
112B F O 1.5913 Aggregation-prone
112A P O 0.9755 Aggregation-prone
112 H O -0.6284 Soluble
113 H O -0.3358 Soluble
114 A O 0.0000 Buried
115 L O 0.0000 Buried
116 S O 0.0510 Aggregation-prone
117 P O 0.0033 Aggregation-prone
118 W O -0.3519 Soluble
119 G O 0.0000 Buried
120 R O -2.4770 Soluble
121 G O 0.0000 Buried
122 T O 0.0000 Buried
123 M O -0.2014 Soluble
124 V O 0.0000 Buried
125 T O -0.8672 Soluble
126 V O 0.0000 Buried
127 S O -1.0005 Soluble
128 S O -0.8632 Soluble
129 A O -0.5483 Soluble
130 S O -0.7035 Soluble
131 T O -0.7771 Soluble
132 K O -1.3025 Soluble
133 G O -1.5334 Soluble
134 P O 0.0000 Buried
135 S O -0.4372 Soluble
136 V O 0.0000 Buried
137 F O -0.4899 Soluble
138 P O 0.0000 Buried
139 L O 0.0000 Buried
140 A O -0.7744 Soluble
141 P O -0.5599 Soluble
142 T O -0.2397 Soluble
143 A O -0.1842 Soluble
144 A O -0.0717 Soluble
145 L O 0.0000 Buried
146 G O 0.0000 Buried
147 C O 0.0000 Buried
148 L O 0.0000 Buried
149 V O 0.0000 Buried
150 K O -0.4600 Soluble
151 D O -0.7650 Soluble
152 Y O 0.0000 Buried
153 F O -0.3230 Soluble
154 P O 0.0000 Buried
155 E O -0.8125 Soluble
156 P O -0.7945 Soluble
157 V O 0.0000 Buried
158 T O -0.6720 Soluble
159 V O -0.1859 Soluble
160 S O -0.1914 Soluble
161 W O 0.0000 Buried
162 N O -0.6613 Soluble
163 S O -0.6453 Soluble
164 G O -0.4960 Soluble
165 A O -0.2167 Soluble
166 L O 0.0544 Aggregation-prone
167 T O -0.1584 Soluble
168 S O -0.1785 Soluble
169 G O -0.1702 Soluble
170 V O 0.2729 Aggregation-prone
171 H O -0.0730 Soluble
172 T O 0.0181 Aggregation-prone
173 F O 0.0000 Buried
174 P O -0.0629 Soluble
175 A O 0.2224 Aggregation-prone
176 V O 0.0000 Buried
177 L O 1.2653 Aggregation-prone
178 Q O 0.2340 Aggregation-prone
179 S O -0.1846 Soluble
180 S O -0.2743 Soluble
181 G O -0.0184 Soluble
182 L O 0.0264 Aggregation-prone
183 Y O 0.2301 Aggregation-prone
184 S O 0.0000 Buried
185 L O 0.0000 Buried
186 S O 0.0000 Buried
187 S O 0.0000 Buried
188 V O 0.1966 Aggregation-prone
189 V O 0.0000 Buried
190 T O -0.1300 Soluble
191 V O 0.0000 Buried
192 P O -0.4502 Soluble
193 S O -0.4258 Soluble
194 S O -0.4690 Soluble
195 S O -0.4822 Soluble
196 L O -0.6751 Soluble
197 G O -0.9414 Soluble
198 T O -0.5965 Soluble
199 Q O -1.0507 Soluble
200 T O -1.0250 Soluble
201 Y O 0.0000 Buried
202 I O -1.0819 Soluble
203 C O 0.0000 Buried
204 N O -1.4647 Soluble
205 V O 0.0000 Buried
206 N O -1.9589 Soluble
207 H O 0.0000 Buried
208 K O -2.8200 Soluble
209 P O -1.7476 Soluble
210 S O -1.7650 Soluble
211 N O -2.5049 Soluble
212 T O -2.0726 Soluble
213 K O -2.7393 Soluble
214 V O -1.7154 Soluble
215 D O -2.6166 Soluble
216 K O -2.1855 Soluble
217 K O -2.3228 Soluble
218 V O 0.0000 Buried
219 E O -2.4368 Soluble
220 P O -1.3580 Soluble
2 S P -1.5552 Soluble
3 E P -2.3113 Soluble
4 L P 0.0000 Buried
5 T P -1.3527 Soluble
6 Q P -1.4239 Soluble
7 D P -2.3040 Soluble
8 P P -1.6250 Soluble
9 A P -1.1832 Soluble
11 V P -0.8496 Soluble
12 S P -0.1818 Soluble
13 V P 0.0000 Buried
14 A P -0.0045 Soluble
15 L P -0.0340 Soluble
16 G P -0.9020 Soluble
17 Q P -1.4154 Soluble
18 T P -1.1554 Soluble
19 V P 0.0000 Buried
20 R P -1.8962 Soluble
21 V P 0.0000 Buried
22 T P -1.1127 Soluble
23 C P 0.0000 Buried
24 Q P -2.0554 Soluble
25 G P -2.2092 Soluble
26 D P -2.6268 Soluble
27 S P 0.0000 Buried
28 L P 0.0000 Buried
29 R P -2.6371 Soluble
36 S P -1.3091 Soluble
37 Y P -0.6380 Soluble
38 Y P -0.2475 Soluble
39 A P 0.0000 Buried
40 S P 0.0000 Buried
41 W P 0.0000 Buried
42 Y P 0.0000 Buried
43 Q P 0.0000 Buried
44 Q P 0.0000 Buried
45 K P -1.8743 Soluble
46 P P -1.5052 Soluble
47 G P -1.6465 Soluble
48 Q P -1.9329 Soluble
49 A P -1.0221 Soluble
50 P P 0.0000 Buried
51 V P 1.0947 Aggregation-prone
52 L P 0.0000 Buried
53 V P 0.0000 Buried
54 I P 0.0000 Buried
55 Y P -1.1394 Soluble
56 G P -1.5445 Soluble
57 K P -2.4500 Soluble
65 N P -2.2816 Soluble
66 N P -2.2629 Soluble
67 R P -2.3278 Soluble
68 P P -0.8120 Soluble
69 S P -0.7861 Soluble
70 G P -0.8987 Soluble
71 I P -0.7784 Soluble
72 P P -1.2943 Soluble
74 D P -2.1826 Soluble
75 R P -1.2371 Soluble
76 F P 0.0000 Buried
77 S P -1.5069 Soluble
78 G P -1.3262 Soluble
79 S P -1.0282 Soluble
80 S P -1.1291 Soluble
83 S P -1.0820 Soluble
84 G P -1.7608 Soluble
85 N P -2.0802 Soluble
86 T P -1.3405 Soluble
87 A P 0.0000 Buried
88 S P 0.0000 Buried
89 L P 0.0000 Buried
90 T P -0.9629 Soluble
91 I P 0.0000 Buried
92 T P -1.2403 Soluble
93 G P -1.0631 Soluble
94 A P 0.0000 Buried
95 Q P -1.3353 Soluble
96 A P -1.3197 Soluble
97 E P -2.4264 Soluble
98 D P 0.0000 Buried
99 E P -1.4184 Soluble
100 A P 0.0000 Buried
101 D P -1.6763 Soluble
102 Y P 0.0000 Buried
103 Y P 0.0000 Buried
104 C P 0.0000 Buried
105 S P 0.0000 Buried
106 S P 0.0000 Buried
107 R P -0.7674 Soluble
108 D P -1.3947 Soluble
109 S P -1.4713 Soluble
110 S P -0.7858 Soluble
113 G P -0.7438 Soluble
114 N P -1.2518 Soluble
115 H P -0.9043 Soluble
116 W P -0.4986 Soluble
117 V P -0.6884 Soluble
118 F P -0.6235 Soluble
119 G P 0.0000 Buried
120 G P -1.6868 Soluble
121 G P -1.4118 Soluble
122 T P 0.0000 Buried
123 E P -2.1388 Soluble
124 L P 0.0000 Buried
125 T P -0.2360 Soluble
126 V P 0.0000 Buried
127 L P 0.9163 Aggregation-prone
128 G P -0.1581 Soluble
129 Q P -0.5204 Soluble
130 P P -1.1375 Soluble
131 K P -2.1780 Soluble
132 A P -1.3652 Soluble
133 A P -0.8730 Soluble
134 P P 0.0000 Buried
135 S P -0.5757 Soluble
136 V P 0.0000 Buried
137 T P -0.4215 Soluble
138 L P 0.0000 Buried
139 F P 0.0000 Buried
140 P P -0.0989 Soluble
141 P P -0.5161 Soluble
142 S P -0.9166 Soluble
143 S P -1.5134 Soluble
144 E P -2.3430 Soluble
145 E P 0.0000 Buried
146 L P -2.0723 Soluble
147 Q P -2.3557 Soluble
148 A P -1.9760 Soluble
149 N P -2.7902 Soluble
150 K P -2.8576 Soluble
151 A P 0.0000 Buried
152 T P 0.0000 Buried
153 L P 0.0000 Buried
154 V P 0.0000 Buried
155 C P 0.0000 Buried
156 L P 0.0000 Buried
157 I P 0.0000 Buried
158 S P -0.7101 Soluble
159 D P -1.4335 Soluble
160 F P 0.0000 Buried
161 Y P -1.1851 Soluble
162 P P -0.9603 Soluble
163 G P -0.5127 Soluble
164 A P -0.2080 Soluble
165 V P -0.1273 Soluble
166 T P -0.1109 Soluble
167 V P 0.0700 Aggregation-prone
168 A P -0.3502 Soluble
169 W P 0.0000 Buried
170 K P -0.9976 Soluble
171 A P -1.1735 Soluble
172 D P -1.3182 Soluble
173 S P -0.8970 Soluble
174 S P -0.8353 Soluble
175 P P -0.9163 Soluble
176 V P -0.8190 Soluble
177 K P -1.5872 Soluble
178 A P -0.6994 Soluble
179 G P -0.3594 Soluble
180 V P 0.0636 Aggregation-prone
181 E P 0.0278 Aggregation-prone
182 T P 0.1485 Aggregation-prone
183 T P 0.0000 Buried
184 T P 0.0751 Aggregation-prone
185 P P -0.2242 Soluble
186 S P -0.5394 Soluble
187 K P -1.2301 Soluble
188 Q P -1.1946 Soluble
189 S P -1.2570 Soluble
190 N P -1.9082 Soluble
191 N P -1.7963 Soluble
192 K P -1.6554 Soluble
193 Y P -0.8766 Soluble
194 A P 0.0000 Buried
195 A P 0.0000 Buried
196 S P 0.0000 Buried
197 S P 0.0000 Buried
198 Y P 0.0000 Buried
199 L P 0.0000 Buried
200 S P -0.5023 Soluble
201 L P -0.9534 Soluble
202 T P -1.8691 Soluble
203 P P -2.5022 Soluble
204 E P -3.1066 Soluble
205 Q P -2.2435 Soluble
206 W P 0.0000 Buried
207 K P -3.0188 Soluble
208 S P -2.3190 Soluble
209 H P -2.3047 Soluble
210 R P -2.4673 Soluble
211 S P -1.4782 Soluble
212 Y P 0.0000 Buried
213 S P 0.0000 Buried
214 C P 0.0000 Buried
215 Q P -1.0485 Soluble
216 V P 0.0000 Buried
217 T P -0.7261 Soluble
218 H P 0.0000 Buried
219 E P -2.3141 Soluble
220 G P -1.4487 Soluble
221 S P -1.0968 Soluble
222 T P -0.8237 Soluble
223 V P -0.8128 Soluble
224 E P -2.0676 Soluble
225 K P -1.5962 Soluble
226 T P -0.8836 Soluble
227 V P -0.3017 Soluble
228 A P -0.7952 Soluble
229 P P -0.9003 Soluble
230 T P -0.5159 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 -0.6485 3.7392 CSV PDB
4.5 -0.6915 3.74 CSV PDB
5.0 -0.7426 3.7425 CSV PDB
5.5 -0.7913 3.7494 CSV PDB
6.0 -0.8265 3.7651 CSV PDB
6.5 -0.84 3.7905 CSV PDB
7.0 -0.8315 3.8167 CSV PDB
7.5 -0.8083 3.8339 CSV PDB
8.0 -0.7775 3.8418 CSV PDB
8.5 -0.7412 3.8447 CSV PDB
9.0 -0.6996 3.8456 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH