Belimumab / 6fxn

A4DAB037_6fxn_H_I | Source PDB: 6fxn | Chains: H, I | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6963
Max Score
2.8424
Min Score
-3.1873
Total Score
-296.61
Score CDR
-0.1636
Score non-CDR
-0.7703

Calculation Parameters

Chain Sequence(s) VQLQQSGAEVKKPGSSVRVSCKASGGTFNNNAINWVRQAPGQGLEWMGGIIPMFGTAKYSQNFQGRVAITADESTGTASMELSSLRSEDTAVYYCARSRDLLLFPHHALSPWGRGTMVTVSSASTKGPSVFPLAPSTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSELTQDPAVSVALGQTVRVTCQGDSLRSYYASWYQQKPGQAPVLVIYGKNNRPSGIPDRFSGSSSGNTASLTITGAQAEDEADYYCSSRDSSGNHWVFGGGTELTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPT input.pdb
Selected Chain(s) H (Heavy), I (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 -3.1873
Maximum Score 2.8424
Average Score -0.6963
Total Score -296.608

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

Index Residue Chain A4D Score Classification
2 V H 1.0628 Aggregation-prone
3 Q H -1.0695 Soluble
4 L H 0.0000 Buried
5 Q H -2.2467 Soluble
6 Q H -1.6226 Soluble
7 S H -1.2871 Soluble
8 G H -1.1835 Soluble
9 A H -0.8802 Soluble
11 E H -1.3105 Soluble
12 V H -0.7080 Soluble
13 K H -1.6791 Soluble
14 K H -2.4373 Soluble
15 P H -2.1831 Soluble
16 G H -1.6518 Soluble
17 S H -1.3346 Soluble
18 S H -1.5536 Soluble
19 V H 0.0000 Buried
20 R H -2.4729 Soluble
21 V H 0.0000 Buried
22 S H -1.1313 Soluble
23 C H 0.0000 Buried
24 K H -1.5567 Soluble
25 A H 0.0000 Buried
26 S H -0.8667 Soluble
27 G H -0.8189 Soluble
28 G H -1.1368 Soluble
29 T H -1.4111 Soluble
30 F H 0.0000 Buried
35 N H -1.4810 Soluble
36 N H -0.2898 Soluble
37 N H -0.1775 Soluble
38 A H 0.2044 Aggregation-prone
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 -0.8022 Soluble
44 Q H -0.9492 Soluble
45 A H -1.1703 Soluble
46 P H -1.0417 Soluble
47 G H -1.2522 Soluble
48 Q H -1.8826 Soluble
49 G H -1.4511 Soluble
50 L H 0.0000 Buried
51 E H -1.7721 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 0.3344 Aggregation-prone
57 I H 0.4612 Aggregation-prone
58 P H 0.0617 Aggregation-prone
59 M H 0.9487 Aggregation-prone
62 F H 1.6203 Aggregation-prone
63 G H 0.3219 Aggregation-prone
64 T H -0.0102 Soluble
65 A H -0.2508 Soluble
66 K H -1.1861 Soluble
67 Y H -0.5756 Soluble
68 S H -1.3549 Soluble
69 Q H -2.1754 Soluble
70 N H -2.3351 Soluble
71 F H 0.0000 Buried
72 Q H -2.1314 Soluble
74 G H -1.5226 Soluble
75 R H -1.2963 Soluble
76 V H 0.0000 Buried
77 A H -0.8073 Soluble
78 I H 0.0000 Buried
79 T H -0.5697 Soluble
80 A H -0.8031 Soluble
81 D H -1.9003 Soluble
82 E H -1.9443 Soluble
83 S H -1.3149 Soluble
84 T H -1.1225 Soluble
85 G H 0.0000 Buried
86 T H -1.2938 Soluble
87 A H 0.0000 Buried
88 S H 0.0000 Buried
89 M H 0.0000 Buried
90 E H -2.0303 Soluble
91 L H 0.0000 Buried
92 S H -1.3791 Soluble
93 S H -1.3472 Soluble
94 L H 0.0000 Buried
95 R H -3.0239 Soluble
96 S H -2.3380 Soluble
97 E H -2.5732 Soluble
98 D H 0.0000 Buried
99 T H -1.0639 Soluble
100 A H 0.0000 Buried
101 V H 0.0806 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 -0.3049 Soluble
107 S H 0.0000 Buried
108 R H 0.1770 Aggregation-prone
109 D H 0.0000 Buried
110 L H 2.2162 Aggregation-prone
111 L H 2.8424 Aggregation-prone
111A L H 2.5214 Aggregation-prone
112B F H 1.6429 Aggregation-prone
112A P H 1.2074 Aggregation-prone
112 H H 0.1560 Aggregation-prone
113 H H -0.0598 Soluble
114 A H 0.0000 Buried
115 L H 0.0000 Buried
116 S H 0.0981 Aggregation-prone
117 P H 0.0604 Aggregation-prone
118 W H -0.3558 Soluble
119 G H 0.0000 Buried
120 R H -2.4557 Soluble
121 G H 0.0000 Buried
122 T H 0.0000 Buried
123 M H -0.2457 Soluble
124 V H 0.0000 Buried
125 T H -0.8987 Soluble
126 V H 0.0000 Buried
127 S H -1.2609 Soluble
128 S H -0.9625 Soluble
129 A H -0.5412 Soluble
130 S H -0.6299 Soluble
131 T H -0.4734 Soluble
132 K H -0.8751 Soluble
133 G H -1.2604 Soluble
134 P H -0.5896 Soluble
135 S H -0.3530 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.0401 Soluble
139 L H 0.0000 Buried
140 A H -1.1709 Soluble
141 P H 0.0000 Buried
142 S H -0.6698 Soluble
143 T H -0.2463 Soluble
144 A H -0.1793 Soluble
145 A H -0.0937 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 -0.3027 Soluble
152 D H -0.3650 Soluble
153 Y H 0.0000 Buried
154 F H -0.0394 Soluble
155 P H 0.0000 Buried
156 E H -0.5783 Soluble
157 P H -0.8105 Soluble
158 V H -0.4984 Soluble
159 T H -0.3955 Soluble
160 V H -0.0031 Soluble
161 S H -0.3373 Soluble
162 W H 0.0000 Buried
163 N H -0.7652 Soluble
164 S H -0.6015 Soluble
165 G H -0.4672 Soluble
166 A H -0.2061 Soluble
167 L H -0.0065 Soluble
168 T H -0.2121 Soluble
169 S H -0.3014 Soluble
170 G H -0.4155 Soluble
171 V H 0.0553 Aggregation-prone
172 H H -0.2148 Soluble
173 T H -0.0869 Soluble
174 F H 0.0000 Buried
175 P H -0.1061 Soluble
176 A H 0.2551 Aggregation-prone
177 V H 0.0000 Buried
178 L H 1.3293 Aggregation-prone
179 Q H 0.4056 Aggregation-prone
180 S H -0.0883 Soluble
181 S H -0.1364 Soluble
182 G H 0.1925 Aggregation-prone
183 L H 0.3051 Aggregation-prone
184 Y H 0.4837 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 -0.2536 Soluble
192 V H 0.0000 Buried
193 P H -0.3262 Soluble
194 S H -0.4328 Soluble
195 S H -0.5093 Soluble
196 S H -0.5628 Soluble
197 L H -0.7819 Soluble
198 G H -1.0767 Soluble
199 T H -0.9075 Soluble
200 Q H -1.2440 Soluble
201 T H -1.1860 Soluble
202 Y H 0.0000 Buried
203 I H -1.4520 Soluble
204 C H 0.0000 Buried
205 N H -1.3823 Soluble
206 V H 0.0000 Buried
207 N H -1.7372 Soluble
208 H H 0.0000 Buried
209 K H -2.8482 Soluble
210 P H -1.7175 Soluble
211 S H -1.7187 Soluble
212 N H -2.4517 Soluble
213 T H -2.0387 Soluble
214 K H -2.5679 Soluble
215 V H -1.3902 Soluble
216 D H -2.2804 Soluble
217 K H -2.1245 Soluble
218 K H -2.6380 Soluble
219 V H 0.0000 Buried
220 E H -2.9006 Soluble
221 P H -1.9095 Soluble
222 K H -2.2509 Soluble
2 S I -1.6614 Soluble
3 E I -2.4210 Soluble
4 L I 0.0000 Buried
5 T I -1.3402 Soluble
6 Q I -1.4022 Soluble
7 D I -2.3512 Soluble
8 P I -1.7074 Soluble
9 A I -1.3228 Soluble
11 V I -1.0329 Soluble
12 S I -0.2463 Soluble
13 V I 0.0000 Buried
14 A I 0.0386 Aggregation-prone
15 L I -0.0815 Soluble
16 G I -0.7968 Soluble
17 Q I -1.1945 Soluble
18 T I -1.1918 Soluble
19 V I 0.0000 Buried
20 R I -1.8845 Soluble
21 V I 0.0000 Buried
22 T I -1.0806 Soluble
23 C I 0.0000 Buried
24 Q I -2.0836 Soluble
25 G I -2.3918 Soluble
26 D I -3.1136 Soluble
27 S I 0.0000 Buried
28 L I 0.0000 Buried
29 R I -2.6230 Soluble
36 S I -1.2116 Soluble
37 Y I -0.0755 Soluble
38 Y I 0.3543 Aggregation-prone
39 A I 0.0000 Buried
40 S I 0.0000 Buried
41 W I 0.0000 Buried
42 Y I 0.0000 Buried
43 Q I -0.3530 Soluble
44 Q I 0.0000 Buried
45 K I -1.6847 Soluble
46 P I -1.4039 Soluble
47 G I -1.5833 Soluble
48 Q I -1.9148 Soluble
49 A I -1.0561 Soluble
50 P I 0.0000 Buried
51 V I 0.9913 Aggregation-prone
52 L I 0.0000 Buried
53 V I 0.0000 Buried
54 I I 0.0000 Buried
55 Y I -0.9266 Soluble
56 G I 0.0000 Buried
57 K I -2.3857 Soluble
65 N I -2.4369 Soluble
66 N I -1.9995 Soluble
67 R I -2.1680 Soluble
68 P I -0.7143 Soluble
69 S I -0.9389 Soluble
70 G I -0.8840 Soluble
71 I I -0.7513 Soluble
72 P I -1.3205 Soluble
74 D I -2.2193 Soluble
75 R I -1.2798 Soluble
76 F I 0.0000 Buried
77 S I -1.5772 Soluble
78 G I -1.2452 Soluble
79 S I -1.0817 Soluble
80 S I -1.0975 Soluble
83 S I -1.0722 Soluble
84 G I -1.8071 Soluble
85 N I -2.0682 Soluble
86 T I -1.3064 Soluble
87 A I 0.0000 Buried
88 S I 0.0000 Buried
89 L I 0.0000 Buried
90 T I -0.9100 Soluble
91 I I 0.0000 Buried
92 T I -1.1948 Soluble
93 G I -1.0332 Soluble
94 A I 0.0000 Buried
95 Q I -1.1224 Soluble
96 A I -1.0504 Soluble
97 E I -1.8457 Soluble
98 D I 0.0000 Buried
99 E I -1.2594 Soluble
100 A I 0.0000 Buried
101 D I -1.6286 Soluble
102 Y I 0.0000 Buried
103 Y I 0.0000 Buried
104 C I 0.0000 Buried
105 S I 0.0000 Buried
106 S I 0.0000 Buried
107 R I -0.6257 Soluble
108 D I -1.5214 Soluble
109 S I -1.5683 Soluble
110 S I -0.8634 Soluble
113 G I -0.9321 Soluble
114 N I -1.6014 Soluble
115 H I -1.1552 Soluble
116 W I 0.0000 Buried
117 V I -0.7968 Soluble
118 F I -0.6082 Soluble
119 G I 0.0000 Buried
120 G I -1.6702 Soluble
121 G I -1.4733 Soluble
122 T I 0.0000 Buried
123 E I -2.4785 Soluble
124 L I 0.0000 Buried
125 T I -0.2910 Soluble
126 V I 0.0000 Buried
127 L I 0.9499 Aggregation-prone
128 G I -0.1007 Soluble
129 Q I -0.4810 Soluble
130 P I -1.0569 Soluble
131 K I -2.1719 Soluble
132 A I -1.2997 Soluble
133 A I -0.8502 Soluble
134 P I -0.4850 Soluble
135 S I -0.3119 Soluble
136 V I 0.0000 Buried
137 T I -0.3200 Soluble
138 L I -0.2733 Soluble
139 F I 0.0000 Buried
140 P I -0.0510 Soluble
141 P I 0.0000 Buried
142 S I -0.9510 Soluble
143 S I -1.4781 Soluble
144 E I -1.8660 Soluble
145 E I 0.0000 Buried
146 L I -1.6575 Soluble
147 Q I -2.0473 Soluble
148 A I -1.5891 Soluble
149 N I -2.3298 Soluble
150 K I -1.9409 Soluble
151 A I 0.0000 Buried
152 T I 0.0000 Buried
153 L I 0.0000 Buried
154 V I 0.0000 Buried
155 C I 0.0000 Buried
156 L I 0.0000 Buried
157 I I 0.0000 Buried
158 S I -0.6353 Soluble
159 D I -1.3114 Soluble
160 F I 0.0000 Buried
161 Y I -1.1022 Soluble
162 P I -0.9504 Soluble
163 G I -0.6419 Soluble
164 A I -0.1882 Soluble
165 V I -0.1401 Soluble
166 T I -0.1349 Soluble
167 V I 0.0483 Aggregation-prone
168 A I -0.3611 Soluble
169 W I 0.0000 Buried
170 K I -1.0954 Soluble
171 A I 0.0000 Buried
172 D I -1.3524 Soluble
173 S I -0.9007 Soluble
174 S I -0.8102 Soluble
175 P I -0.8907 Soluble
176 V I -0.7697 Soluble
177 K I -1.5598 Soluble
178 A I -0.6812 Soluble
179 G I -0.3324 Soluble
180 V I 0.0708 Aggregation-prone
181 E I 0.0306 Aggregation-prone
182 T I 0.1112 Aggregation-prone
183 T I 0.0000 Buried
184 T I -0.0905 Soluble
185 P I -0.1980 Soluble
186 S I -0.5101 Soluble
187 K I -1.1139 Soluble
188 Q I -1.1413 Soluble
189 S I -1.2026 Soluble
190 N I -1.6844 Soluble
191 N I -1.5559 Soluble
192 K I -1.4696 Soluble
193 Y I -0.7084 Soluble
194 A I 0.0000 Buried
195 A I 0.0000 Buried
196 S I 0.0000 Buried
197 S I 0.0000 Buried
198 Y I 0.0000 Buried
199 L I 0.0000 Buried
200 S I -0.4197 Soluble
201 L I 0.0000 Buried
202 T I -1.7702 Soluble
203 P I -2.3730 Soluble
204 E I -3.1873 Soluble
205 Q I -2.5057 Soluble
206 W I 0.0000 Buried
207 K I -3.1582 Soluble
208 S I -2.4439 Soluble
209 H I -2.3882 Soluble
210 R I -2.4976 Soluble
211 S I -1.4922 Soluble
212 Y I 0.0000 Buried
213 S I 0.0000 Buried
214 C I 0.0000 Buried
215 Q I -1.1145 Soluble
216 V I 0.0000 Buried
217 T I -0.7555 Soluble
218 H I 0.0000 Buried
219 E I -2.3003 Soluble
220 G I -1.4450 Soluble
221 S I -0.9155 Soluble
222 T I -0.9327 Soluble
223 V I -0.8778 Soluble
224 E I -2.2027 Soluble
225 K I -1.6885 Soluble
226 T I -0.9233 Soluble
227 V I -0.2749 Soluble
228 A I -0.8152 Soluble
229 P I -0.9250 Soluble
230 T I -0.4706 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
Load structure at specific pH condition
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 -0.6336 4.0249 CSV PDB
4.5 -0.6744 4.0302 CSV PDB
5.0 -0.7219 4.0384 CSV PDB
5.5 -0.7664 4.0465 CSV PDB
6.0 -0.7976 4.0516 CSV PDB
6.5 -0.8082 4.0538 CSV PDB
7.0 -0.7981 4.0547 CSV PDB
7.5 -0.7737 4.0549 CSV PDB
8.0 -0.7411 4.055 CSV PDB
8.5 -0.7026 4.055 CSV PDB
9.0 -0.659 4.0551 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH