Beludavimab / 8hws

A4DAB038_8hws_I_J | Source PDB: 8hws | Chains: I, J | Done
99.57
Yes
10 Å
Yes
Avg A4D Score
-0.7487
Max Score
1.7282
Min Score
-3.9947
Total Score
-330.9
Score CDR
-0.2225
Score non-CDR
-0.8219

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGYPFTSYGISWVRQAPGQGLEWMGWISTYNGNTNYAQKFQGRVTMTTDTSTTTGYMELRRLRSDDTAVYYCARDYTRGAWFGESLIGGFDNWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCEIVLTQSPGTLSLSPGERATLSCRASQTVSSTSLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQHDTSLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input.pdb
Selected Chain(s) I (Heavy), J (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 -3.9947
Maximum Score 1.7282
Average Score -0.7487
Total Score -330.9042

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

Index Residue Chain A4D Score Classification
1 Q I -1.3953 Soluble
2 V I -0.9464 Soluble
3 Q I -1.4432 Soluble
4 L I 0.0000 Buried
5 V I -0.0257 Soluble
6 Q I -0.2567 Soluble
7 S I -0.6642 Soluble
8 G I -0.4991 Soluble
9 A I -0.0715 Soluble
11 E I -0.4972 Soluble
12 V I 0.1665 Aggregation-prone
13 K I -1.2414 Soluble
14 K I -2.4387 Soluble
15 P I -2.6657 Soluble
16 G I -2.6152 Soluble
17 A I -2.0973 Soluble
18 S I -2.2112 Soluble
19 V I 0.0000 Buried
20 K I -2.0854 Soluble
21 V I 0.0000 Buried
22 S I -0.4871 Soluble
23 C I 0.0000 Buried
24 K I -0.7327 Soluble
25 A I 0.0000 Buried
26 S I -0.7608 Soluble
27 G I -0.9429 Soluble
28 Y I -0.4055 Soluble
29 P I -0.1658 Soluble
30 F I 0.0737 Aggregation-prone
35 T I 0.2835 Aggregation-prone
36 S I 0.3825 Aggregation-prone
37 Y I 0.4969 Aggregation-prone
38 G I 0.0000 Buried
39 I I 0.0000 Buried
40 S I 0.0000 Buried
41 W I 0.0000 Buried
42 V I 0.0000 Buried
43 R I -0.3323 Soluble
44 Q I -0.5804 Soluble
45 A I -0.9318 Soluble
46 P I -0.7763 Soluble
47 G I -1.2254 Soluble
48 Q I -1.7477 Soluble
49 G I -1.0886 Soluble
50 L I 0.0000 Buried
51 E I -0.5480 Soluble
52 W I -0.2126 Soluble
53 M I 0.0000 Buried
54 G I 0.0000 Buried
55 W I 0.0000 Buried
56 I I 0.0000 Buried
57 S I 0.0000 Buried
58 T I 0.0000 Buried
59 Y I 0.6519 Aggregation-prone
62 N I -0.8690 Soluble
63 G I -1.2154 Soluble
64 N I -1.8062 Soluble
65 T I -1.4796 Soluble
66 N I -1.7397 Soluble
67 Y I -1.3486 Soluble
68 A I -1.6667 Soluble
69 Q I -2.5688 Soluble
70 K I -2.6681 Soluble
71 F I 0.0000 Buried
72 Q I -2.4762 Soluble
74 G I -1.7768 Soluble
75 R I -2.0999 Soluble
76 V I 0.0000 Buried
77 T I -0.7821 Soluble
78 M I 0.0000 Buried
79 T I -0.3115 Soluble
80 T I -0.3810 Soluble
81 D I -0.8410 Soluble
82 T I -0.3438 Soluble
83 S I -0.4458 Soluble
84 T I -0.4742 Soluble
85 T I -0.5034 Soluble
86 T I 0.0000 Buried
87 G I 0.0000 Buried
88 Y I -0.3336 Soluble
89 M I 0.0000 Buried
90 E I -1.3733 Soluble
91 L I 0.0000 Buried
92 R I -3.4972 Soluble
93 R I -3.6357 Soluble
94 L I 0.0000 Buried
95 R I -3.7134 Soluble
96 S I -2.3867 Soluble
97 D I -2.5267 Soluble
98 D I 0.0000 Buried
99 T I -0.8333 Soluble
100 A I 0.0000 Buried
101 V I 0.3769 Aggregation-prone
102 Y I 0.0000 Buried
103 Y I 0.0000 Buried
104 C I 0.0000 Buried
105 A I 0.0000 Buried
106 R I -0.2538 Soluble
107 D I 0.0000 Buried
108 Y I 0.9512 Aggregation-prone
109 T I 0.0000 Buried
110 R I -0.5573 Soluble
111 G I 0.1327 Aggregation-prone
111A A I 0.0000 Buried
111B W I 1.5245 Aggregation-prone
111C F I 1.7252 Aggregation-prone
112D G I -0.3624 Soluble
112C E I -1.4831 Soluble
112B S I -0.8334 Soluble
112A L I 0.4226 Aggregation-prone
112 I I 1.7282 Aggregation-prone
113 G I 0.0000 Buried
114 G I 0.0000 Buried
115 F I 0.0000 Buried
116 D I -0.8611 Soluble
117 N I -1.2420 Soluble
118 W I -0.7914 Soluble
119 G I 0.0000 Buried
120 Q I -1.3948 Soluble
121 G I -0.5278 Soluble
122 T I 0.0000 Buried
123 L I 0.6096 Aggregation-prone
124 V I 0.0000 Buried
125 T I -0.5176 Soluble
126 V I 0.0000 Buried
127 S I -1.2059 Soluble
128 S I -0.8390 Soluble
129 A I -0.5606 Soluble
130 S I -0.5951 Soluble
131 T I -0.7834 Soluble
132 K I -1.1830 Soluble
133 G I -1.4348 Soluble
134 P I -0.6528 Soluble
135 S I -0.2643 Soluble
136 V I 0.0000 Buried
137 F I -0.6879 Soluble
138 P I -1.2397 Soluble
139 L I 0.0000 Buried
140 A I -1.2091 Soluble
141 P I -1.0119 Soluble
142 S I -1.3198 Soluble
143 S I -1.5907 Soluble
144 K I -1.8976 Soluble
145 S I -1.3724 Soluble
146 T I -0.9135 Soluble
147 S I -0.6026 Soluble
148 G I -0.8180 Soluble
149 G I -0.7656 Soluble
150 T I -0.5421 Soluble
151 A I -0.4231 Soluble
152 A I 0.0000 Buried
153 L I 0.0000 Buried
154 G I 0.0000 Buried
155 C I 0.0000 Buried
156 L I 0.2142 Aggregation-prone
157 V I 0.0000 Buried
158 K I -0.2677 Soluble
159 D I -0.5249 Soluble
160 Y I 0.0000 Buried
161 F I 0.0000 Buried
162 P I -0.8883 Soluble
163 E I -1.2976 Soluble
164 P I -1.1792 Soluble
165 V I -0.9025 Soluble
166 T I -0.7008 Soluble
167 V I -0.3185 Soluble
168 S I -0.4133 Soluble
169 W I 0.0000 Buried
170 N I -0.7059 Soluble
171 S I -0.5532 Soluble
172 G I -0.5759 Soluble
173 A I -0.2869 Soluble
174 L I -0.0261 Soluble
175 T I -0.1450 Soluble
176 S I -0.1249 Soluble
177 G I -0.0007 Soluble
178 V I 0.3517 Aggregation-prone
179 H I -0.0713 Soluble
180 T I 0.0750 Aggregation-prone
181 F I 0.0000 Buried
182 P I -0.3313 Soluble
183 A I 0.2165 Aggregation-prone
184 V I 0.7423 Aggregation-prone
185 L I 1.4378 Aggregation-prone
186 Q I 0.3649 Aggregation-prone
187 S I -0.0410 Soluble
188 S I -0.1994 Soluble
189 G I 0.0666 Aggregation-prone
190 L I 0.0524 Aggregation-prone
191 Y I 0.3620 Aggregation-prone
192 S I 0.2577 Aggregation-prone
193 L I 0.3863 Aggregation-prone
195 S I 0.0000 Buried
196 V I 0.0000 Buried
197 V I 0.0000 Buried
198 T I -0.0697 Soluble
199 V I 0.0000 Buried
200 P I -0.4503 Soluble
201 S I -0.5851 Soluble
202 S I -0.5988 Soluble
203 S I -0.6463 Soluble
204 L I -0.7646 Soluble
205 G I -0.9976 Soluble
206 T I -0.7674 Soluble
207 Q I -1.3056 Soluble
208 T I -1.3101 Soluble
209 Y I 0.0000 Buried
210 I I -1.5367 Soluble
211 C I 0.0000 Buried
212 N I -1.7461 Soluble
213 V I 0.0000 Buried
214 N I -2.0676 Soluble
215 H I 0.0000 Buried
216 K I -2.8497 Soluble
217 P I -1.7700 Soluble
218 S I -1.8425 Soluble
219 N I -2.5500 Soluble
220 T I -2.1011 Soluble
221 K I -2.8186 Soluble
222 V I -1.8956 Soluble
223 D I -2.8616 Soluble
224 K I -2.6523 Soluble
225 R I -2.8764 Soluble
226 V I 0.0000 Buried
227 E I -3.0101 Soluble
228 P I -2.0615 Soluble
229 K I -2.2335 Soluble
230 S I -0.8138 Soluble
231 C I 0.2031 Aggregation-prone
1 E J -1.7041 Soluble
2 I J 0.0000 Buried
3 V J 0.7383 Aggregation-prone
4 L J 0.0000 Buried
5 T J -0.5611 Soluble
6 Q J -0.8020 Soluble
7 S J -0.8655 Soluble
8 P J -0.5530 Soluble
9 G J -0.7787 Soluble
10 T J -0.4094 Soluble
11 L J -0.2090 Soluble
12 S J -0.4307 Soluble
13 L J -0.9749 Soluble
14 S J -1.4212 Soluble
15 P J -1.7857 Soluble
16 G J -2.4693 Soluble
17 E J -3.1139 Soluble
18 R J -3.2409 Soluble
19 A J 0.0000 Buried
20 T J -0.5224 Soluble
21 L J 0.0000 Buried
22 S J -0.9339 Soluble
23 C J 0.0000 Buried
24 R J -2.3493 Soluble
25 A J -1.1636 Soluble
26 S J -1.0343 Soluble
27 Q J -1.5582 Soluble
28 T J -1.3442 Soluble
29 V J 0.0000 Buried
30 S J -0.5955 Soluble
36 S J -0.3780 Soluble
37 T J 0.1254 Aggregation-prone
38 S J 0.0000 Buried
39 L J 0.0000 Buried
40 A J 0.0000 Buried
41 W J 0.0000 Buried
42 Y J 0.0000 Buried
43 Q J 0.0000 Buried
44 Q J -0.9509 Soluble
45 K J -1.5293 Soluble
46 P J -1.2619 Soluble
47 G J -1.3940 Soluble
48 Q J -1.9301 Soluble
49 A J -1.3569 Soluble
50 P J 0.0000 Buried
51 R J -1.4633 Soluble
52 L J 0.0000 Buried
53 L J 0.0000 Buried
54 I J 0.0000 Buried
55 Y J 0.3824 Aggregation-prone
56 G J 0.2178 Aggregation-prone
57 A J 0.0000 Buried
65 S J -0.5985 Soluble
66 S J -0.4788 Soluble
67 R J -1.3178 Soluble
68 A J -0.7130 Soluble
69 T J -0.5384 Soluble
70 G J -0.7442 Soluble
71 I J -0.7308 Soluble
72 P J -1.1630 Soluble
74 D J -2.3091 Soluble
75 R J -1.8179 Soluble
76 F J 0.0000 Buried
77 S J -0.8733 Soluble
78 G J -0.4948 Soluble
79 S J -0.7353 Soluble
80 G J -1.1771 Soluble
83 S J -1.1107 Soluble
84 G J -1.1750 Soluble
85 T J -1.7067 Soluble
86 D J -2.0228 Soluble
87 F J 0.0000 Buried
88 T J -0.8200 Soluble
89 L J 0.0000 Buried
90 T J -0.7861 Soluble
91 I J 0.0000 Buried
92 S J -2.5428 Soluble
93 R J -3.4627 Soluble
94 L J 0.0000 Buried
95 E J -2.1333 Soluble
96 P J -1.4952 Soluble
97 E J -2.1982 Soluble
98 D J 0.0000 Buried
99 F J -0.6594 Soluble
100 A J 0.0000 Buried
101 V J -0.0638 Soluble
102 Y J 0.0000 Buried
103 Y J 0.0000 Buried
104 C J 0.0000 Buried
105 Q J 0.0000 Buried
106 Q J 0.0000 Buried
107 H J 0.0000 Buried
108 D J -1.4136 Soluble
114 T J -1.0571 Soluble
115 S J -1.0383 Soluble
116 L J -0.2352 Soluble
117 T J -0.0374 Soluble
118 F J 0.2721 Aggregation-prone
119 G J 0.0000 Buried
120 G J -0.6624 Soluble
121 G J -0.6918 Soluble
122 T J 0.0000 Buried
123 K J -0.4040 Soluble
124 V J 0.0000 Buried
125 E J -0.5824 Soluble
126 I J -0.7479 Soluble
127 K J -1.4947 Soluble
128 R J -0.9944 Soluble
129 T J 0.1669 Aggregation-prone
130 V J 1.0705 Aggregation-prone
131 A J 0.3784 Aggregation-prone
132 A J -0.0370 Soluble
133 P J 0.0000 Buried
134 S J -0.3408 Soluble
135 V J 0.0000 Buried
136 F J 0.2308 Aggregation-prone
137 I J 0.2493 Aggregation-prone
138 F J 0.0000 Buried
139 P J -0.4674 Soluble
140 P J 0.0000 Buried
141 S J -1.8472 Soluble
142 D J -3.2384 Soluble
143 E J -3.2570 Soluble
144 Q J 0.0000 Buried
145 L J -2.4603 Soluble
146 K J -2.9934 Soluble
147 S J -1.8296 Soluble
148 G J -1.4436 Soluble
149 T J -1.0790 Soluble
150 A J 0.0000 Buried
151 S J 0.0000 Buried
152 V J 0.0000 Buried
153 V J 0.0000 Buried
154 C J 0.0000 Buried
155 L J 0.0000 Buried
156 L J 0.0000 Buried
157 N J -0.5770 Soluble
158 N J -1.0915 Soluble
159 F J 0.0000 Buried
160 Y J 0.0000 Buried
161 P J -1.1138 Soluble
162 R J -1.9235 Soluble
163 E J -2.8081 Soluble
164 A J -2.0904 Soluble
165 K J -2.3472 Soluble
166 V J -1.0458 Soluble
167 Q J -0.7689 Soluble
168 W J 0.0000 Buried
169 K J -0.6489 Soluble
170 V J 0.0000 Buried
171 D J -1.7468 Soluble
172 N J -1.4083 Soluble
173 A J -0.2798 Soluble
174 L J 0.6880 Aggregation-prone
175 Q J -0.3277 Soluble
176 S J -0.6698 Soluble
177 G J -1.1592 Soluble
178 N J -1.3594 Soluble
179 S J -1.3199 Soluble
180 Q J -1.1803 Soluble
181 E J -1.5312 Soluble
182 S J -0.5015 Soluble
183 V J -0.3142 Soluble
184 T J -0.7651 Soluble
185 E J -1.9676 Soluble
186 Q J -1.7952 Soluble
187 D J -2.0847 Soluble
188 S J -1.8454 Soluble
189 K J -2.4120 Soluble
190 D J -2.1967 Soluble
191 S J 0.0000 Buried
192 T J 0.0000 Buried
193 Y J 0.0000 Buried
194 S J 0.0000 Buried
195 L J 0.0000 Buried
196 S J -0.4091 Soluble
197 S J 0.0000 Buried
198 T J -0.6970 Soluble
199 L J 0.0000 Buried
200 T J -0.4969 Soluble
201 L J -0.6294 Soluble
202 S J -1.2355 Soluble
203 K J -2.3197 Soluble
204 A J -2.3192 Soluble
205 D J -3.2018 Soluble
206 Y J 0.0000 Buried
207 E J -3.9947 Soluble
208 K J -3.8830 Soluble
209 H J -3.2485 Soluble
210 K J -3.5381 Soluble
211 V J -2.0029 Soluble
212 Y J 0.0000 Buried
213 A J 0.0000 Buried
215 E J -0.8491 Soluble
216 V J 0.0000 Buried
217 T J -1.1406 Soluble
218 H J 0.0000 Buried
219 Q J -1.5930 Soluble
220 G J -0.2703 Soluble
221 L J -0.1737 Soluble
222 S J -0.4740 Soluble
223 S J -0.3899 Soluble
224 P J -0.5416 Soluble
225 V J 0.1706 Aggregation-prone
226 T J -0.3882 Soluble
227 K J -0.5391 Soluble
228 S J -0.5565 Soluble
229 F J -1.3730 Soluble
230 N J -2.5121 Soluble
231 R J -3.3449 Soluble
232 G J -2.2101 Soluble
233 E J -2.3737 Soluble
234 C J -0.8944 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
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Downloads
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 -0.7451 5.3155 CSV PDB
4.5 -0.792 5.2569 CSV PDB
5.0 -0.8471 5.1584 CSV PDB
5.5 -0.8997 5.0335 CSV PDB
6.0 -0.9386 4.9029 CSV PDB
6.5 -0.9541 4.7866 CSV PDB
7.0 -0.9452 4.7374 CSV PDB
7.5 -0.9201 4.7152 CSV PDB
8.0 -0.8861 4.7063 CSV PDB
8.5 -0.8456 4.703 CSV PDB
9.0 -0.7987 4.7014 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH