Sotrovimab / 8wpw

A4DAB245_8wpw_A_B | Source PDB: 8wpw | Chains: A, B | Done
99.57
Yes
10 Å
Yes
Avg A4D Score
-0.7352
Max Score
1.7475
Min Score
-3.7314
Total Score
-323.49
Score CDR
-0.2205
Score non-CDR
-0.8072

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGYPFTSYGISWVRQAPGQGLEWMGWISTYNGNTNYAQKFQGRVTMTTDTSTTTGYMELRRLRSDDTAVYYCARDYTRGAWFGESLIGGFDNWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKEIVLTQSPGTLSLSPGERATLSCRASQTVSSTSLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQHDTSLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG input.pdb
Selected Chain(s) A (Heavy), B (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 -3.7314
Maximum Score 1.7475
Average Score -0.7352
Total Score -323.485

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

Index Residue Chain A4D Score Classification
1 Q A -1.3850 Soluble
2 V A -0.9640 Soluble
3 Q A -1.5583 Soluble
4 L A 0.0000 Buried
5 V A -0.2156 Soluble
6 Q A -0.3666 Soluble
7 S A -0.7202 Soluble
8 G A -0.5155 Soluble
9 A A -0.0965 Soluble
11 E A -0.6568 Soluble
12 V A 0.2704 Aggregation-prone
13 K A -1.2718 Soluble
14 K A -2.4366 Soluble
15 P A -2.6507 Soluble
16 G A -2.4423 Soluble
17 A A -1.9583 Soluble
18 S A -2.1715 Soluble
19 V A 0.0000 Buried
20 K A -2.1257 Soluble
21 V A 0.0000 Buried
22 S A -0.6004 Soluble
23 C A 0.0000 Buried
24 K A -1.1779 Soluble
25 A A 0.0000 Buried
26 S A -0.9811 Soluble
27 G A -0.9603 Soluble
28 Y A -0.4372 Soluble
29 P A -0.3161 Soluble
30 F A 0.0000 Buried
35 T A 0.1945 Aggregation-prone
36 S A 0.3453 Aggregation-prone
37 Y A 0.4864 Aggregation-prone
38 G A 0.0000 Buried
39 I A 0.0000 Buried
40 S A 0.0000 Buried
41 W A 0.0000 Buried
42 V A 0.0000 Buried
43 R A -0.3307 Soluble
44 Q A -0.6251 Soluble
45 A A -0.9594 Soluble
46 P A -0.7952 Soluble
47 G A -1.2309 Soluble
48 Q A -1.7550 Soluble
49 G A -1.1106 Soluble
50 L A 0.0000 Buried
51 E A -0.5573 Soluble
52 W A -0.2398 Soluble
53 M A 0.0000 Buried
54 G A 0.0000 Buried
55 W A 0.0000 Buried
56 I A 0.0000 Buried
57 S A 0.0000 Buried
58 T A 0.0000 Buried
59 Y A 0.4495 Aggregation-prone
62 N A -0.9953 Soluble
63 G A -1.4402 Soluble
64 N A -1.6809 Soluble
65 T A -1.3888 Soluble
66 N A -1.5096 Soluble
67 Y A -1.1737 Soluble
68 A A -1.6216 Soluble
69 Q A -2.5924 Soluble
70 K A -2.6788 Soluble
71 F A 0.0000 Buried
72 Q A -2.4855 Soluble
74 G A -1.8775 Soluble
75 R A -1.8023 Soluble
76 V A 0.0000 Buried
77 T A -0.8049 Soluble
78 M A 0.0000 Buried
79 T A -0.4071 Soluble
80 T A -0.6120 Soluble
81 D A -1.0438 Soluble
82 T A -0.4737 Soluble
83 S A -0.5293 Soluble
84 T A -0.6544 Soluble
85 T A -0.7828 Soluble
86 T A 0.0000 Buried
87 G A 0.0000 Buried
88 Y A -0.4510 Soluble
89 M A 0.0000 Buried
90 E A -1.4659 Soluble
91 L A 0.0000 Buried
92 R A -2.7239 Soluble
93 R A -3.2994 Soluble
94 L A 0.0000 Buried
95 R A -3.5945 Soluble
96 S A -2.4030 Soluble
97 D A -2.5019 Soluble
98 D A 0.0000 Buried
99 T A -0.6836 Soluble
100 A A 0.0000 Buried
101 V A 0.3226 Aggregation-prone
102 Y A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 A A 0.0000 Buried
106 R A -0.3589 Soluble
107 D A 0.0000 Buried
108 Y A 0.7718 Aggregation-prone
109 T A 0.0000 Buried
110 R A -0.2669 Soluble
111 G A 0.0000 Buried
111A A A 0.0000 Buried
111B W A 1.5113 Aggregation-prone
111C F A 1.5861 Aggregation-prone
112D G A -0.3654 Soluble
112C E A -1.4049 Soluble
112B S A -0.6396 Soluble
112A L A 0.5215 Aggregation-prone
112 I A 1.7475 Aggregation-prone
113 G A 0.0000 Buried
114 G A 0.0000 Buried
115 F A 0.0000 Buried
116 D A -0.8344 Soluble
117 N A -0.8917 Soluble
118 W A 0.0000 Buried
119 G A 0.0000 Buried
120 Q A -1.4391 Soluble
121 G A -0.5194 Soluble
122 T A 0.0000 Buried
123 L A 0.8316 Aggregation-prone
124 V A 0.0000 Buried
125 T A 0.0000 Buried
126 V A 0.0000 Buried
127 S A -1.1741 Soluble
128 S A -0.9191 Soluble
129 A A -0.7304 Soluble
130 S A -0.7472 Soluble
131 T A -0.7540 Soluble
132 K A -1.3938 Soluble
133 G A -1.5148 Soluble
134 P A -0.7752 Soluble
135 S A -0.6166 Soluble
136 V A 0.0000 Buried
137 F A 0.0000 Buried
138 P A -1.1707 Soluble
139 L A 0.0000 Buried
140 A A -1.0460 Soluble
141 P A 0.0000 Buried
142 S A -1.1135 Soluble
143 S A -1.5232 Soluble
144 K A -1.9682 Soluble
145 S A -1.3004 Soluble
146 T A -1.0754 Soluble
147 S A -0.8126 Soluble
148 G A -0.7479 Soluble
149 G A -0.8658 Soluble
150 T A -0.5154 Soluble
151 A A -0.4759 Soluble
152 A A 0.0000 Buried
153 L A 0.0000 Buried
154 G A 0.0000 Buried
155 C A 0.0000 Buried
156 L A 0.0000 Buried
157 V A 0.0000 Buried
158 K A 0.0000 Buried
159 D A -0.8632 Soluble
160 Y A 0.0000 Buried
161 F A 0.0000 Buried
162 P A -0.7926 Soluble
163 E A -0.7035 Soluble
164 P A -0.8663 Soluble
165 V A -0.6928 Soluble
166 T A -0.5396 Soluble
167 V A -0.0966 Soluble
168 S A -0.2560 Soluble
169 W A 0.0000 Buried
170 N A -0.6528 Soluble
171 S A -0.5565 Soluble
172 G A -0.5763 Soluble
173 A A -0.1448 Soluble
174 L A 0.0756 Aggregation-prone
175 T A -0.1757 Soluble
176 S A -0.2173 Soluble
177 G A -0.1531 Soluble
178 V A 0.2265 Aggregation-prone
179 H A -0.2200 Soluble
180 T A 0.0000 Buried
181 F A 0.0000 Buried
182 P A -0.4942 Soluble
183 A A 0.0285 Aggregation-prone
184 V A 0.2512 Aggregation-prone
185 L A 0.7875 Aggregation-prone
186 Q A -0.0414 Soluble
187 S A -0.1876 Soluble
188 S A -0.3882 Soluble
189 G A -0.2526 Soluble
190 L A 0.0000 Buried
191 Y A 0.1104 Aggregation-prone
192 S A 0.0460 Aggregation-prone
193 L A 0.0000 Buried
194 S A -0.0344 Soluble
195 S A 0.0000 Buried
196 V A 0.0000 Buried
197 V A 0.0000 Buried
198 T A -0.1058 Soluble
199 V A 0.0000 Buried
200 P A -0.5308 Soluble
201 S A -0.7457 Soluble
202 S A -0.6197 Soluble
203 S A -0.6993 Soluble
204 L A -0.9579 Soluble
205 G A -1.1176 Soluble
206 T A -0.8632 Soluble
207 Q A -1.5119 Soluble
208 T A -1.2154 Soluble
209 Y A 0.0000 Buried
210 I A -1.1216 Soluble
211 C A 0.0000 Buried
212 N A 0.0000 Buried
213 V A 0.0000 Buried
214 N A -2.0558 Soluble
215 H A 0.0000 Buried
216 K A -2.8409 Soluble
217 P A -1.7140 Soluble
218 S A -1.9049 Soluble
219 N A -2.6138 Soluble
220 T A -2.2974 Soluble
221 K A -2.8453 Soluble
222 V A -1.8247 Soluble
223 D A -2.6260 Soluble
224 K A -2.0629 Soluble
225 K A -2.5099 Soluble
226 V A 0.0000 Buried
227 E A -2.8202 Soluble
228 P A -2.0292 Soluble
229 K A -2.3237 Soluble
1 E B -1.5823 Soluble
2 I B 0.0000 Buried
3 V B 0.7350 Aggregation-prone
4 L B 0.0000 Buried
5 T B -0.5660 Soluble
6 Q B -0.9902 Soluble
7 S B -0.9416 Soluble
8 P B -0.7109 Soluble
9 G B -0.9419 Soluble
10 T B -0.7376 Soluble
11 L B -0.4769 Soluble
12 S B -0.6877 Soluble
13 L B -1.0791 Soluble
14 S B -1.7146 Soluble
15 P B -1.8524 Soluble
16 G B -2.3942 Soluble
17 E B -2.9894 Soluble
18 R B -3.1850 Soluble
19 A B 0.0000 Buried
20 T B -0.5243 Soluble
21 L B 0.0000 Buried
22 S B -1.0670 Soluble
23 C B 0.0000 Buried
24 R B -2.5765 Soluble
25 A B -1.3500 Soluble
26 S B -1.1402 Soluble
27 Q B -1.5773 Soluble
28 T B -1.4259 Soluble
29 V B 0.0000 Buried
30 S B -0.6959 Soluble
36 S B -0.3398 Soluble
37 T B 0.1763 Aggregation-prone
38 S B 0.0000 Buried
39 L B 0.0000 Buried
40 A B 0.0000 Buried
41 W B 0.0000 Buried
42 Y B 0.0000 Buried
43 Q B 0.0000 Buried
44 Q B 0.0000 Buried
45 K B -1.2318 Soluble
46 P B -1.1999 Soluble
47 G B -1.3960 Soluble
48 Q B -1.9685 Soluble
49 A B -1.3405 Soluble
50 P B 0.0000 Buried
51 R B -1.2469 Soluble
52 L B 0.0000 Buried
53 L B 0.0000 Buried
54 I B 0.0000 Buried
55 Y B 0.2380 Aggregation-prone
56 G B 0.2161 Aggregation-prone
57 A B 0.0000 Buried
65 S B -0.6196 Soluble
66 S B -0.7049 Soluble
67 R B -1.5427 Soluble
68 A B -0.8450 Soluble
69 T B -0.6641 Soluble
70 G B -0.8915 Soluble
71 I B 0.0000 Buried
72 P B -1.3882 Soluble
74 D B -2.4481 Soluble
75 R B -2.0096 Soluble
76 F B 0.0000 Buried
77 S B -1.0137 Soluble
78 G B -0.5284 Soluble
79 S B -0.7679 Soluble
80 G B -1.2575 Soluble
83 S B -1.0491 Soluble
84 G B -1.3521 Soluble
85 T B -2.0401 Soluble
86 D B -2.7218 Soluble
87 F B 0.0000 Buried
88 T B -0.9245 Soluble
89 L B 0.0000 Buried
90 T B -0.8418 Soluble
91 I B 0.0000 Buried
92 S B -2.4391 Soluble
93 R B -3.4660 Soluble
94 L B 0.0000 Buried
95 E B -1.9231 Soluble
96 P B -1.4996 Soluble
97 E B -1.8084 Soluble
98 D B 0.0000 Buried
99 F B -0.6539 Soluble
100 A B 0.0000 Buried
101 V B -0.4353 Soluble
102 Y B 0.0000 Buried
103 Y B 0.0000 Buried
104 C B 0.0000 Buried
105 Q B 0.0000 Buried
106 Q B 0.0000 Buried
107 H B 0.0000 Buried
108 D B -1.1392 Soluble
114 T B -1.1340 Soluble
115 S B -0.9332 Soluble
116 L B 0.0000 Buried
117 T B -0.0700 Soluble
118 F B 0.2898 Aggregation-prone
119 G B 0.0000 Buried
120 G B -0.6233 Soluble
121 G B -0.8061 Soluble
122 T B 0.0000 Buried
123 K B -1.1799 Soluble
124 V B 0.0000 Buried
125 E B -0.8858 Soluble
126 I B -0.7821 Soluble
127 K B -1.6617 Soluble
128 R B -1.1847 Soluble
129 T B 0.0731 Aggregation-prone
130 V B 1.1847 Aggregation-prone
131 A B 0.5086 Aggregation-prone
132 A B 0.0800 Aggregation-prone
133 P B 0.0000 Buried
134 S B -0.1549 Soluble
135 V B 0.0000 Buried
136 F B 0.0664 Aggregation-prone
137 I B 0.0950 Aggregation-prone
138 F B 0.0000 Buried
139 P B -0.5128 Soluble
140 P B 0.0000 Buried
141 S B -1.8597 Soluble
142 D B -3.0664 Soluble
143 E B -3.2769 Soluble
144 Q B 0.0000 Buried
145 L B -2.0891 Soluble
146 K B -2.8615 Soluble
147 S B -1.7472 Soluble
148 G B -1.1533 Soluble
149 T B -0.9585 Soluble
150 A B 0.0000 Buried
151 S B 0.0000 Buried
152 V B 0.0000 Buried
153 V B 0.0000 Buried
154 C B 0.0000 Buried
155 L B 0.0000 Buried
156 L B 0.0000 Buried
157 N B -0.4430 Soluble
158 N B -0.8299 Soluble
159 F B 0.0000 Buried
160 Y B -0.7727 Soluble
161 P B -1.4241 Soluble
162 R B -2.7324 Soluble
163 E B -3.0175 Soluble
164 A B -2.1609 Soluble
165 K B -2.0704 Soluble
166 V B -0.8065 Soluble
167 Q B -0.3505 Soluble
168 W B 0.0000 Buried
169 K B -0.5616 Soluble
170 V B 0.0000 Buried
171 D B -1.4418 Soluble
172 N B -1.4484 Soluble
173 A B -0.1868 Soluble
174 L B 0.6951 Aggregation-prone
175 Q B -0.1599 Soluble
176 S B -0.4825 Soluble
177 G B -0.9640 Soluble
178 N B -0.9106 Soluble
179 S B -1.3387 Soluble
180 Q B -1.7233 Soluble
181 E B -2.1063 Soluble
182 S B -0.9408 Soluble
183 V B -0.8280 Soluble
184 T B -1.1582 Soluble
185 E B -2.2597 Soluble
186 Q B -1.9371 Soluble
187 D B -2.0469 Soluble
188 S B -1.7354 Soluble
189 K B -2.2275 Soluble
190 D B -1.6753 Soluble
191 S B -1.7757 Soluble
192 T B 0.0000 Buried
193 Y B 0.0000 Buried
194 S B 0.0000 Buried
195 L B 0.0000 Buried
196 S B -0.6268 Soluble
197 S B 0.0000 Buried
198 T B -0.7806 Soluble
199 L B 0.0000 Buried
200 T B -0.2610 Soluble
201 L B -0.5009 Soluble
202 S B -1.1150 Soluble
203 K B -2.1132 Soluble
204 A B -1.9593 Soluble
205 D B -3.1736 Soluble
206 Y B 0.0000 Buried
207 E B -3.7314 Soluble
208 K B -3.6756 Soluble
209 H B -2.9406 Soluble
210 K B -2.5532 Soluble
211 V B -1.1207 Soluble
212 Y B 0.0000 Buried
213 A B 0.0000 Buried
214 C B 0.0000 Buried
215 E B 0.0000 Buried
216 V B 0.0000 Buried
217 T B -0.9444 Soluble
218 H B 0.0000 Buried
219 Q B -1.5989 Soluble
220 G B -0.2139 Soluble
221 L B -0.1671 Soluble
222 S B -0.4328 Soluble
223 S B -0.3940 Soluble
224 P B -0.3453 Soluble
225 V B 0.0483 Aggregation-prone
226 T B -0.4567 Soluble
227 K B -0.9423 Soluble
228 S B -0.7534 Soluble
229 F B -0.7682 Soluble
230 N B -1.6459 Soluble
231 R B -1.6866 Soluble
232 G B -1.0774 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
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 -0.723 5.3404 CSV PDB
4.5 -0.7662 5.2651 CSV PDB
5.0 -0.8171 5.1563 CSV PDB
5.5 -0.8655 5.0322 CSV PDB
6.0 -0.9 4.9407 CSV PDB
6.5 -0.9115 4.8919 CSV PDB
7.0 -0.8994 4.8621 CSV PDB
7.5 -0.8716 4.8486 CSV PDB
8.0 -0.8352 4.8436 CSV PDB
8.5 -0.7926 4.8418 CSV PDB
9.0 -0.7439 4.8408 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH