Beludavimab / 8df5

A4DAB038_8df5_C_D | Source PDB: 8df5 | Chains: C, D | Done
99.57
Yes
10 Å
Yes
Avg A4D Score
-0.7109
Max Score
2.1579
Min Score
-3.5867
Total Score
-315.64
Score CDR
-0.1593
Score non-CDR
-0.7873

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGYPFTSYGISWVRQAPGQGLEWMGWISTYNGNTNYAQKFQGRVTMTTDTSTTTGYMELRRLRSDDTAVYYCARDYTRGAWFGESLIGGFDNWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCEIVLTQSPGTLSLSPGERATLSCRASQTVSSTSLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQHDTSLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input.pdb
Selected Chain(s) C (Heavy), D (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 -3.5867
Maximum Score 2.1579
Average Score -0.7109
Total Score -315.6393

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

Index Residue Chain A4D Score Classification
1 Q C -1.2708 Soluble
2 V C -0.7591 Soluble
3 Q C -1.2559 Soluble
4 L C 0.0000 Buried
5 V C 0.1163 Aggregation-prone
6 Q C 0.0000 Buried
7 S C -0.4785 Soluble
8 G C -0.4150 Soluble
9 A C 0.2030 Aggregation-prone
11 E C -0.0124 Soluble
12 V C 0.3947 Aggregation-prone
13 K C -1.1901 Soluble
14 K C -2.4776 Soluble
15 P C -2.6935 Soluble
16 G C -2.5638 Soluble
17 A C -1.8119 Soluble
18 S C -2.0842 Soluble
19 V C 0.0000 Buried
20 K C -2.0004 Soluble
21 V C 0.0000 Buried
22 S C -0.5042 Soluble
23 C C 0.0000 Buried
24 K C -0.8891 Soluble
25 A C 0.0000 Buried
26 S C -0.6596 Soluble
27 G C -0.6781 Soluble
28 Y C -0.3105 Soluble
29 P C -0.1910 Soluble
30 F C 0.0000 Buried
35 T C 0.1879 Aggregation-prone
36 S C 0.3692 Aggregation-prone
37 Y C 0.4685 Aggregation-prone
38 G C 0.0000 Buried
39 I C 0.0000 Buried
40 S C 0.0000 Buried
41 W C 0.0000 Buried
42 V C 0.0000 Buried
43 R C 0.0000 Buried
44 Q C -0.5703 Soluble
45 A C -0.9466 Soluble
46 P C -0.9249 Soluble
47 G C -1.2525 Soluble
48 Q C -1.7383 Soluble
49 G C -1.0944 Soluble
50 L C 0.0000 Buried
51 E C -0.6240 Soluble
52 W C 0.0000 Buried
53 M C 0.0000 Buried
54 G C 0.0000 Buried
55 W C 0.0000 Buried
56 I C 0.0000 Buried
57 S C 0.0000 Buried
58 T C 0.0000 Buried
59 Y C 0.5441 Aggregation-prone
62 N C -0.8162 Soluble
63 G C -1.2777 Soluble
64 N C -1.4566 Soluble
65 T C -1.1504 Soluble
66 N C -1.1562 Soluble
67 Y C -1.0168 Soluble
68 A C 0.0000 Buried
69 Q C -2.7288 Soluble
70 K C -2.6865 Soluble
71 F C 0.0000 Buried
72 Q C -2.4306 Soluble
74 G C -1.9228 Soluble
75 R C -1.8765 Soluble
76 V C 0.0000 Buried
77 T C -0.7229 Soluble
78 M C 0.0000 Buried
79 T C -0.3960 Soluble
80 T C -0.5663 Soluble
81 D C -1.0078 Soluble
82 T C -0.4567 Soluble
83 S C -0.5115 Soluble
84 T C -0.6301 Soluble
85 T C -0.6751 Soluble
86 T C 0.0000 Buried
87 G C 0.0000 Buried
88 Y C -0.4068 Soluble
89 M C 0.0000 Buried
90 E C -1.4113 Soluble
91 L C 0.0000 Buried
92 R C -2.5933 Soluble
93 R C -3.2391 Soluble
94 L C 0.0000 Buried
95 R C -3.5867 Soluble
96 S C -2.4323 Soluble
97 D C -2.5274 Soluble
98 D C 0.0000 Buried
99 T C -0.8156 Soluble
100 A C 0.0000 Buried
101 V C 0.3149 Aggregation-prone
102 Y C 0.0000 Buried
103 Y C 0.0000 Buried
104 C C 0.0000 Buried
105 A C 0.0000 Buried
106 R C -0.2528 Soluble
107 D C 0.0000 Buried
108 Y C 0.9841 Aggregation-prone
109 T C 0.0000 Buried
110 R C -0.2988 Soluble
111 G C 0.0000 Buried
111A A C 0.0000 Buried
111B W C 1.5352 Aggregation-prone
111C F C 1.5872 Aggregation-prone
112D G C -0.2781 Soluble
112C E C -1.3226 Soluble
112B S C -0.5696 Soluble
112A L C 0.6663 Aggregation-prone
112 I C 2.1579 Aggregation-prone
113 G C 0.0000 Buried
114 G C 0.0000 Buried
115 F C 0.0000 Buried
116 D C -0.8352 Soluble
117 N C -1.0866 Soluble
118 W C -0.9390 Soluble
119 G C 0.0000 Buried
120 Q C -1.3032 Soluble
121 G C -0.4703 Soluble
122 T C 0.0000 Buried
123 L C 0.7147 Aggregation-prone
124 V C 0.0000 Buried
125 T C 0.0000 Buried
126 V C 0.0000 Buried
127 S C -1.3045 Soluble
128 S C -1.1406 Soluble
129 A C -0.6298 Soluble
130 S C -0.6974 Soluble
131 T C -0.6680 Soluble
132 K C -1.4029 Soluble
133 G C -1.5041 Soluble
134 P C 0.0000 Buried
135 S C -0.4077 Soluble
136 V C 0.0000 Buried
137 F C -0.7564 Soluble
138 P C -1.0956 Soluble
139 L C 0.0000 Buried
140 A C -1.0804 Soluble
141 P C 0.0000 Buried
142 S C -1.0744 Soluble
143 S C -1.6304 Soluble
144 K C -2.0143 Soluble
145 S C -1.1951 Soluble
146 T C -0.9360 Soluble
147 S C -0.8662 Soluble
148 G C -0.7967 Soluble
149 G C -0.6182 Soluble
150 T C -0.4606 Soluble
151 A C 0.0000 Buried
152 A C 0.0000 Buried
153 L C 0.0000 Buried
154 G C 0.0000 Buried
155 C C 0.0000 Buried
156 L C 0.0000 Buried
157 V C 0.0000 Buried
158 K C 0.0000 Buried
159 D C -0.3453 Soluble
160 Y C 0.0000 Buried
161 F C 0.0000 Buried
162 P C 0.0000 Buried
163 E C -0.6673 Soluble
164 P C -1.0586 Soluble
165 V C -0.9106 Soluble
166 T C -0.7714 Soluble
167 V C -0.4541 Soluble
168 S C -0.4518 Soluble
169 W C 0.0000 Buried
170 N C -0.7979 Soluble
171 S C -0.6693 Soluble
172 G C -0.5510 Soluble
173 A C -0.2298 Soluble
174 L C 0.0067 Aggregation-prone
175 T C -0.1694 Soluble
176 S C -0.1822 Soluble
177 G C -0.2131 Soluble
178 V C 0.1394 Aggregation-prone
179 H C -0.3230 Soluble
180 T C 0.0633 Aggregation-prone
181 F C 0.0000 Buried
182 P C -0.2759 Soluble
183 A C 0.2669 Aggregation-prone
184 V C 0.6800 Aggregation-prone
185 L C 1.4503 Aggregation-prone
186 Q C 0.0000 Buried
187 S C 0.0258 Aggregation-prone
188 S C -0.0694 Soluble
189 G C 0.1929 Aggregation-prone
190 L C 0.1604 Aggregation-prone
191 Y C 0.4773 Aggregation-prone
192 S C 0.0000 Buried
193 L C 0.2074 Aggregation-prone
194 S C 0.0000 Buried
195 S C 0.0000 Buried
196 V C 0.0000 Buried
197 V C 0.0000 Buried
198 T C -0.1269 Soluble
199 V C 0.0000 Buried
200 P C -0.6787 Soluble
201 S C -0.6186 Soluble
202 S C -0.7656 Soluble
203 S C -0.7298 Soluble
204 L C -0.8714 Soluble
205 G C -1.0098 Soluble
206 T C -0.8101 Soluble
207 Q C -1.3612 Soluble
208 T C -1.2141 Soluble
209 Y C 0.0000 Buried
210 I C -1.3919 Soluble
211 C C 0.0000 Buried
212 N C -1.6062 Soluble
213 V C 0.0000 Buried
214 N C -2.3730 Soluble
215 H C 0.0000 Buried
216 K C -2.9458 Soluble
217 P C -1.7931 Soluble
218 S C -1.9328 Soluble
219 N C -2.7421 Soluble
220 T C -2.2680 Soluble
221 K C -2.8162 Soluble
222 V C -1.7245 Soluble
223 D C -2.4977 Soluble
224 K C -2.0589 Soluble
225 K C -2.5890 Soluble
226 V C 0.0000 Buried
227 E C -2.8241 Soluble
228 P C -1.8109 Soluble
229 K C -2.2815 Soluble
230 S C -0.8950 Soluble
231 C C -0.0864 Soluble
1 E D -1.7643 Soluble
2 I D 0.0000 Buried
3 V D 0.3158 Aggregation-prone
4 L D 0.0000 Buried
5 T D -0.8216 Soluble
6 Q D -0.9784 Soluble
7 S D -1.0024 Soluble
8 P D -0.7318 Soluble
9 G D -0.9173 Soluble
10 T D -0.5570 Soluble
11 L D -0.3720 Soluble
12 S D -0.6508 Soluble
13 L D -0.9631 Soluble
14 S D -1.4565 Soluble
15 P D -1.7119 Soluble
16 G D -1.9956 Soluble
17 E D -2.6644 Soluble
18 R D -3.0728 Soluble
19 A D 0.0000 Buried
20 T D -0.6488 Soluble
21 L D 0.0000 Buried
22 S D -1.0520 Soluble
23 C D 0.0000 Buried
24 R D -2.4939 Soluble
25 A D 0.0000 Buried
26 S D -1.1180 Soluble
27 Q D -1.5733 Soluble
28 T D -1.2726 Soluble
29 V D 0.0000 Buried
30 S D -0.6122 Soluble
36 S D -0.2188 Soluble
37 T D 0.3916 Aggregation-prone
38 S D 0.0000 Buried
39 L D 0.0000 Buried
40 A D 0.0000 Buried
41 W D 0.0000 Buried
42 Y D 0.0000 Buried
43 Q D 0.0000 Buried
44 Q D 0.0000 Buried
45 K D -1.8635 Soluble
46 P D -1.5087 Soluble
47 G D -1.4998 Soluble
48 Q D -2.2129 Soluble
49 A D -1.6514 Soluble
50 P D 0.0000 Buried
51 R D -2.2234 Soluble
52 L D 0.0000 Buried
53 L D 0.0000 Buried
54 I D 0.0000 Buried
55 Y D 0.3661 Aggregation-prone
56 G D 0.3867 Aggregation-prone
57 A D 0.0000 Buried
65 S D -0.6698 Soluble
66 S D -0.5096 Soluble
67 R D -1.5224 Soluble
68 A D -0.9470 Soluble
69 T D -0.5963 Soluble
70 G D -0.7921 Soluble
71 I D -1.0083 Soluble
72 P D -1.2406 Soluble
74 D D -2.3434 Soluble
75 R D -1.8783 Soluble
76 F D 0.0000 Buried
77 S D -0.8999 Soluble
78 G D -0.5306 Soluble
79 S D -0.6926 Soluble
80 G D -1.1286 Soluble
83 S D -1.0954 Soluble
84 G D -1.1761 Soluble
85 T D -1.7697 Soluble
86 D D -2.3258 Soluble
87 F D 0.0000 Buried
88 T D -0.8539 Soluble
89 L D 0.0000 Buried
90 T D -0.8204 Soluble
91 I D 0.0000 Buried
92 S D -2.3512 Soluble
93 R D -3.2952 Soluble
94 L D 0.0000 Buried
95 E D -1.8045 Soluble
96 P D -1.5540 Soluble
97 E D -2.1903 Soluble
98 D D 0.0000 Buried
99 F D 0.0000 Buried
100 A D 0.0000 Buried
101 V D -0.4616 Soluble
102 Y D 0.0000 Buried
103 Y D 0.0000 Buried
104 C D 0.0000 Buried
105 Q D 0.0000 Buried
106 Q D 0.0000 Buried
107 H D 0.0000 Buried
108 D D -0.9053 Soluble
114 T D -1.0121 Soluble
115 S D -0.9173 Soluble
116 L D 0.0000 Buried
117 T D -0.1740 Soluble
118 F D 0.1733 Aggregation-prone
119 G D 0.0000 Buried
120 G D -0.8060 Soluble
121 G D -0.7982 Soluble
122 T D 0.0000 Buried
123 K D -0.9760 Soluble
124 V D 0.0000 Buried
125 E D 0.0000 Buried
126 I D -0.9064 Soluble
127 K D -1.5090 Soluble
128 R D -1.0506 Soluble
129 T D -0.1411 Soluble
130 V D 0.3364 Aggregation-prone
131 A D -0.0561 Soluble
132 A D -0.1524 Soluble
133 P D 0.0000 Buried
134 S D -0.1728 Soluble
135 V D 0.0000 Buried
136 F D 0.1301 Aggregation-prone
137 I D 0.0853 Aggregation-prone
138 F D 0.0000 Buried
139 P D -0.4799 Soluble
140 P D -0.8663 Soluble
141 S D -1.6888 Soluble
142 D D -3.0859 Soluble
143 E D -3.2613 Soluble
144 Q D 0.0000 Buried
145 L D -2.4721 Soluble
146 K D -3.0087 Soluble
147 S D -1.9179 Soluble
148 G D -1.4264 Soluble
149 T D -1.1343 Soluble
150 A D 0.0000 Buried
151 S D 0.0000 Buried
152 V D 0.0000 Buried
153 V D 0.0000 Buried
154 C D 0.0000 Buried
155 L D 0.0000 Buried
156 L D 0.0000 Buried
157 N D 0.0000 Buried
158 N D -0.9097 Soluble
159 F D 0.0000 Buried
160 Y D 0.0000 Buried
161 P D -1.2153 Soluble
162 R D -1.6360 Soluble
163 E D -2.6179 Soluble
164 A D -2.0424 Soluble
165 K D -2.3403 Soluble
166 V D -1.2446 Soluble
167 Q D -0.8949 Soluble
168 W D 0.0000 Buried
169 K D -0.8185 Soluble
170 V D 0.0000 Buried
171 D D -1.7578 Soluble
172 N D -1.5455 Soluble
173 A D -0.4415 Soluble
174 L D 0.2764 Aggregation-prone
175 Q D -0.3141 Soluble
176 S D -0.4946 Soluble
177 G D -0.8270 Soluble
178 N D -0.7381 Soluble
179 S D -1.0156 Soluble
180 Q D -1.1514 Soluble
181 E D -1.7971 Soluble
182 S D -0.8453 Soluble
183 V D -0.4559 Soluble
184 T D -0.9892 Soluble
185 E D -2.1290 Soluble
186 Q D -1.8257 Soluble
187 D D -2.1880 Soluble
188 S D -2.0613 Soluble
189 K D -2.4261 Soluble
190 D D -2.0450 Soluble
191 S D -1.9176 Soluble
192 T D 0.0000 Buried
193 Y D 0.0000 Buried
194 S D 0.0000 Buried
195 L D 0.0000 Buried
196 S D 0.0000 Buried
197 S D 0.0000 Buried
198 T D -0.5817 Soluble
199 L D 0.0000 Buried
200 T D -0.2760 Soluble
201 L D -0.6191 Soluble
202 S D -1.2204 Soluble
203 K D -2.1185 Soluble
204 A D -1.8142 Soluble
205 D D -2.4622 Soluble
206 Y D 0.0000 Buried
207 E D -2.9856 Soluble
208 K D -3.3172 Soluble
209 H D -2.5268 Soluble
210 K D -2.6854 Soluble
211 V D -1.1762 Soluble
212 Y D 0.0000 Buried
213 A D 0.0000 Buried
214 C D 0.0000 Buried
215 E D -1.0505 Soluble
216 V D 0.0000 Buried
217 T D -1.3067 Soluble
218 H D 0.0000 Buried
219 Q D -1.6219 Soluble
220 G D -0.4583 Soluble
221 L D -0.2282 Soluble
222 S D -0.4350 Soluble
223 S D -0.4459 Soluble
224 P D -0.6383 Soluble
225 V D -0.1103 Soluble
226 T D -0.5324 Soluble
227 K D -0.6722 Soluble
228 S D -0.5359 Soluble
229 F D 0.0000 Buried
230 N D -1.5304 Soluble
231 R D -2.0171 Soluble
232 G D -1.6283 Soluble
233 E D -2.0694 Soluble
234 C D -0.7866 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 -0.7234 5.1817 CSV PDB
4.5 -0.7662 5.0829 CSV PDB
5.0 -0.8159 4.9627 CSV PDB
5.5 -0.8628 4.8964 CSV PDB
6.0 -0.896 4.836 CSV PDB
6.5 -0.9064 4.7916 CSV PDB
7.0 -0.8929 4.7673 CSV PDB
7.5 -0.8623 4.7573 CSV PDB
8.0 -0.8218 4.7537 CSV PDB
8.5 -0.7738 4.7524 CSV PDB
9.0 -0.7195 4.7515 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH