Sotrovimab / 7tn0

A4DAB245_7tn0_B_A | Source PDB: 7tn0 | Chains: B, A | Done
99.57
Yes
10 Å
Yes
Avg A4D Score
-0.714
Max Score
2.0346
Min Score
-3.6207
Total Score
-314.88
Score CDR
-0.1895
Score non-CDR
-0.7872

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGYPFTSYGISWVRQAPGQGLEWMGWISTYNGNTNYAQKFQGRVTMTTDTSTTTGYMELRRLRSDDTAVYYCARDYTRGAWFGESLIGGFDNWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKEIVLTQSPGTLSLSPGERATLSCRASQTVSSTSLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQHDTSLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input.pdb
Selected Chain(s) B (Heavy), A (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 -3.6207
Maximum Score 2.0346
Average Score -0.714
Total Score -314.8797

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

Index Residue Chain A4D Score Classification
1 Q B -1.4064 Soluble
2 V B -0.9046 Soluble
3 Q B -1.6136 Soluble
4 L B 0.0000 Buried
5 V B -0.3230 Soluble
6 Q B 0.0000 Buried
7 S B -0.6553 Soluble
8 G B -0.6259 Soluble
9 A B -0.2468 Soluble
11 E B -0.6689 Soluble
12 V B -0.1208 Soluble
13 K B -1.2725 Soluble
14 K B -2.3092 Soluble
15 P B -2.4265 Soluble
16 G B -2.0214 Soluble
17 A B -1.5408 Soluble
18 S B -1.8352 Soluble
19 V B 0.0000 Buried
20 K B -1.9520 Soluble
21 V B 0.0000 Buried
22 S B 0.0000 Buried
23 C B 0.0000 Buried
24 K B -1.0741 Soluble
25 A B 0.0000 Buried
26 S B -0.9982 Soluble
27 G B -0.9559 Soluble
28 Y B -0.4784 Soluble
29 P B -0.3209 Soluble
30 F B 0.0000 Buried
35 T B 0.1857 Aggregation-prone
36 S B 0.3768 Aggregation-prone
37 Y B 0.4512 Aggregation-prone
38 G B 0.0000 Buried
39 I B 0.0000 Buried
40 S B 0.0000 Buried
41 W B 0.0000 Buried
42 V B 0.0000 Buried
43 R B 0.0000 Buried
44 Q B -0.5852 Soluble
45 A B -0.9671 Soluble
46 P B -0.7669 Soluble
47 G B -1.2263 Soluble
48 Q B -1.7471 Soluble
49 G B -1.0972 Soluble
50 L B 0.0000 Buried
51 E B -0.6561 Soluble
52 W B 0.0000 Buried
53 M B 0.0000 Buried
54 G B 0.0000 Buried
55 W B 0.0000 Buried
56 I B 0.0000 Buried
57 S B 0.0000 Buried
58 T B 0.0000 Buried
59 Y B 0.3869 Aggregation-prone
62 N B -0.9379 Soluble
63 G B -1.3304 Soluble
64 N B -1.4647 Soluble
65 T B -1.1465 Soluble
66 N B -1.1776 Soluble
67 Y B -1.1125 Soluble
68 A B -1.5894 Soluble
69 Q B -2.5425 Soluble
70 K B -2.6563 Soluble
71 F B 0.0000 Buried
72 Q B -2.2973 Soluble
74 G B -1.8815 Soluble
75 R B -1.9412 Soluble
76 V B 0.0000 Buried
77 T B -0.7421 Soluble
78 M B 0.0000 Buried
79 T B -0.3524 Soluble
80 T B -0.5466 Soluble
81 D B -0.8629 Soluble
82 T B -0.4366 Soluble
83 S B -0.5136 Soluble
84 T B -0.6455 Soluble
85 T B -0.7579 Soluble
86 T B 0.0000 Buried
87 G B 0.0000 Buried
88 Y B -0.3361 Soluble
89 M B 0.0000 Buried
90 E B -1.2098 Soluble
91 L B 0.0000 Buried
92 R B -2.2892 Soluble
93 R B -2.9600 Soluble
94 L B 0.0000 Buried
95 R B -3.4615 Soluble
96 S B -2.3453 Soluble
97 D B -2.5221 Soluble
98 D B 0.0000 Buried
99 T B -0.9042 Soluble
100 A B 0.0000 Buried
101 V B 0.2772 Aggregation-prone
102 Y B 0.0000 Buried
103 Y B 0.0000 Buried
104 C B 0.0000 Buried
105 A B 0.0000 Buried
106 R B -0.2051 Soluble
107 D B 0.0000 Buried
108 Y B 0.9442 Aggregation-prone
109 T B 0.0000 Buried
110 R B -0.2621 Soluble
111 G B 0.0000 Buried
111A A B 0.0000 Buried
111B W B 1.5187 Aggregation-prone
111C F B 1.6034 Aggregation-prone
112D G B -0.3331 Soluble
112C E B -1.3397 Soluble
112B S B -0.6169 Soluble
112A L B 0.5180 Aggregation-prone
112 I B 2.0346 Aggregation-prone
113 G B 0.0000 Buried
114 G B 0.0000 Buried
115 F B 0.0000 Buried
116 D B -0.6257 Soluble
117 N B -0.9273 Soluble
118 W B 0.0000 Buried
119 G B 0.0000 Buried
120 Q B -1.4968 Soluble
121 G B -0.6482 Soluble
122 T B 0.0000 Buried
123 L B 0.0963 Aggregation-prone
124 V B 0.0000 Buried
125 T B 0.0000 Buried
126 V B 0.0000 Buried
127 S B -1.3165 Soluble
128 S B -1.1353 Soluble
129 A B -0.6891 Soluble
130 S B -0.7765 Soluble
131 T B -0.9198 Soluble
132 K B -1.7103 Soluble
133 G B -1.7771 Soluble
134 P B 0.0000 Buried
135 S B -0.4191 Soluble
136 V B 0.0000 Buried
137 F B 0.0000 Buried
138 P B -0.9526 Soluble
139 L B 0.0000 Buried
140 A B -1.0280 Soluble
141 P B 0.0000 Buried
142 S B -1.1488 Soluble
143 S B -1.8517 Soluble
144 K B -1.9557 Soluble
145 S B -1.2337 Soluble
146 T B -0.9869 Soluble
147 S B -0.9344 Soluble
148 G B -0.8379 Soluble
149 G B -0.7454 Soluble
150 T B -0.5042 Soluble
151 A B 0.0000 Buried
152 A B 0.0000 Buried
153 L B 0.0000 Buried
154 G B 0.0000 Buried
155 C B 0.0000 Buried
156 L B 0.0000 Buried
157 V B 0.0000 Buried
158 K B 0.0000 Buried
159 D B -0.7273 Soluble
160 Y B 0.0000 Buried
161 F B 0.0000 Buried
162 P B 0.0000 Buried
163 E B -0.5096 Soluble
164 P B -0.8129 Soluble
165 V B -0.8396 Soluble
166 T B -0.7852 Soluble
167 V B -0.4445 Soluble
168 S B -0.3761 Soluble
169 W B 0.0000 Buried
170 N B -0.5518 Soluble
171 S B -0.5542 Soluble
172 G B -0.5357 Soluble
173 A B -0.1444 Soluble
174 L B 0.0709 Aggregation-prone
175 T B -0.1461 Soluble
176 S B -0.2063 Soluble
177 G B -0.1674 Soluble
178 V B 0.1768 Aggregation-prone
179 H B -0.3001 Soluble
180 T B -0.1456 Soluble
181 F B 0.0000 Buried
182 P B -0.2425 Soluble
183 A B 0.2237 Aggregation-prone
184 V B 0.5346 Aggregation-prone
185 L B 0.9718 Aggregation-prone
186 Q B 0.1687 Aggregation-prone
187 S B -0.1168 Soluble
188 S B -0.2991 Soluble
189 G B -0.1158 Soluble
190 L B 0.0000 Buried
191 Y B 0.0000 Buried
192 S B 0.0000 Buried
193 L B 0.0000 Buried
194 S B 0.0000 Buried
195 S B 0.0000 Buried
196 V B 0.0000 Buried
197 V B 0.0000 Buried
198 T B -0.1087 Soluble
199 V B 0.0000 Buried
200 P B -0.6681 Soluble
201 S B -0.5973 Soluble
202 S B -0.7289 Soluble
203 S B -0.6534 Soluble
204 L B -0.7895 Soluble
205 G B -0.9764 Soluble
206 T B -0.7778 Soluble
207 Q B -1.2580 Soluble
208 T B -1.0010 Soluble
209 Y B 0.0000 Buried
210 I B -0.8856 Soluble
211 C B 0.0000 Buried
212 N B -1.3687 Soluble
213 V B 0.0000 Buried
214 N B -2.4236 Soluble
215 H B 0.0000 Buried
216 K B -2.8825 Soluble
217 P B -1.6552 Soluble
218 S B -2.0585 Soluble
219 N B -2.7481 Soluble
220 T B -2.3292 Soluble
221 K B -2.8053 Soluble
222 V B -1.5617 Soluble
223 D B -2.1150 Soluble
224 K B -1.6868 Soluble
225 K B -2.1659 Soluble
226 V B 0.0000 Buried
227 E B -2.4586 Soluble
228 P B -1.8348 Soluble
229 K B -2.2342 Soluble
1 E A -1.7082 Soluble
2 I A 0.0000 Buried
3 V A 0.7201 Aggregation-prone
4 L A 0.0000 Buried
5 T A -0.6480 Soluble
6 Q A 0.0000 Buried
7 S A -0.9268 Soluble
8 P A -0.6057 Soluble
9 G A -0.8326 Soluble
10 T A -0.4753 Soluble
11 L A -0.2665 Soluble
12 S A -0.6324 Soluble
13 L A -1.0627 Soluble
14 S A -1.6813 Soluble
15 P A -1.9812 Soluble
16 G A -2.2337 Soluble
17 E A -3.0422 Soluble
18 R A -3.2357 Soluble
19 A A 0.0000 Buried
20 T A -0.5171 Soluble
21 L A 0.0000 Buried
22 S A -0.9372 Soluble
23 C A 0.0000 Buried
24 R A -2.3154 Soluble
25 A A 0.0000 Buried
26 S A -1.0454 Soluble
27 Q A -1.7718 Soluble
28 T A -1.2968 Soluble
29 V A 0.0000 Buried
30 S A -0.6228 Soluble
36 S A -0.2182 Soluble
37 T A 0.3543 Aggregation-prone
38 S A 0.0000 Buried
39 L A 0.0000 Buried
40 A A 0.0000 Buried
41 W A 0.0000 Buried
42 Y A 0.0000 Buried
43 Q A -0.8870 Soluble
44 Q A -1.1648 Soluble
45 K A -1.5458 Soluble
46 P A -1.3297 Soluble
47 G A -1.4429 Soluble
48 Q A -2.1303 Soluble
49 A A -1.5567 Soluble
50 P A 0.0000 Buried
51 R A -1.8989 Soluble
52 L A 0.0000 Buried
53 L A 0.0000 Buried
54 I A 0.0000 Buried
55 Y A 0.4014 Aggregation-prone
56 G A 0.3802 Aggregation-prone
57 A A 0.0000 Buried
65 S A -0.6447 Soluble
66 S A -0.4466 Soluble
67 R A -1.5243 Soluble
68 A A -0.8301 Soluble
69 T A -0.5414 Soluble
70 G A -0.7978 Soluble
71 I A -0.9965 Soluble
72 P A -1.2394 Soluble
74 D A -2.1847 Soluble
75 R A -2.0425 Soluble
76 F A 0.0000 Buried
77 S A -0.9176 Soluble
78 G A -0.5347 Soluble
79 S A -0.6648 Soluble
80 G A -1.0353 Soluble
83 S A -1.0066 Soluble
84 G A -1.1138 Soluble
85 T A -1.6461 Soluble
86 D A -2.0594 Soluble
87 F A 0.0000 Buried
88 T A -0.7691 Soluble
89 L A 0.0000 Buried
90 T A -0.7960 Soluble
91 I A 0.0000 Buried
92 S A -2.3311 Soluble
93 R A -3.3006 Soluble
94 L A 0.0000 Buried
95 E A -2.5858 Soluble
96 P A -1.7853 Soluble
97 E A -2.2788 Soluble
98 D A 0.0000 Buried
99 F A -0.7168 Soluble
100 A A 0.0000 Buried
101 V A -0.2969 Soluble
102 Y A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 Q A 0.0000 Buried
106 Q A 0.0000 Buried
107 H A 0.0000 Buried
108 D A -1.2733 Soluble
114 T A -1.1227 Soluble
115 S A -0.9964 Soluble
116 L A 0.0000 Buried
117 T A -0.0939 Soluble
118 F A 0.2558 Aggregation-prone
119 G A 0.0000 Buried
120 G A -0.6900 Soluble
121 G A -0.7376 Soluble
122 T A 0.0000 Buried
123 K A -0.7795 Soluble
124 V A 0.0000 Buried
125 E A 0.0000 Buried
126 I A -0.8505 Soluble
127 K A -1.6636 Soluble
128 R A -1.1340 Soluble
129 T A -0.1539 Soluble
130 V A 0.4592 Aggregation-prone
131 A A 0.1010 Aggregation-prone
132 A A -0.0766 Soluble
133 P A 0.0000 Buried
134 S A -0.0865 Soluble
135 V A 0.0000 Buried
136 F A 0.1145 Aggregation-prone
137 I A 0.0933 Aggregation-prone
138 F A 0.0000 Buried
139 P A -0.7424 Soluble
140 P A -0.6692 Soluble
141 S A -1.4359 Soluble
142 D A -2.6747 Soluble
143 E A -2.3419 Soluble
144 Q A 0.0000 Buried
145 L A -2.1581 Soluble
146 K A -2.6982 Soluble
147 S A -1.7259 Soluble
148 G A -1.4875 Soluble
149 T A -1.2094 Soluble
150 A A 0.0000 Buried
151 S A 0.0000 Buried
152 V A 0.0000 Buried
153 V A 0.0000 Buried
154 C A 0.0000 Buried
155 L A 0.0000 Buried
156 L A 0.0000 Buried
157 N A 0.0000 Buried
158 N A -0.6825 Soluble
159 F A 0.0000 Buried
160 Y A 0.0000 Buried
161 P A -1.2273 Soluble
162 R A -1.8285 Soluble
163 E A -2.6127 Soluble
164 A A -1.9559 Soluble
165 K A -2.1735 Soluble
166 V A -1.2202 Soluble
167 Q A -0.6954 Soluble
168 W A 0.0000 Buried
169 K A -0.6314 Soluble
170 V A 0.0000 Buried
171 D A -1.9443 Soluble
172 N A -1.3654 Soluble
173 A A -0.2747 Soluble
174 L A 0.6808 Aggregation-prone
175 Q A -0.1167 Soluble
176 S A -0.4552 Soluble
177 G A -0.8559 Soluble
178 N A -0.7421 Soluble
179 S A -0.9742 Soluble
180 Q A -1.1098 Soluble
181 E A -1.4078 Soluble
182 S A -0.6800 Soluble
183 V A -0.4183 Soluble
184 T A -0.9711 Soluble
185 E A -2.1185 Soluble
186 Q A -1.7058 Soluble
187 D A -1.9237 Soluble
188 S A -1.7303 Soluble
189 K A -2.2406 Soluble
190 D A -1.6898 Soluble
191 S A -1.7226 Soluble
192 T A 0.0000 Buried
193 Y A 0.0000 Buried
194 S A 0.0000 Buried
195 L A 0.0000 Buried
196 S A 0.0000 Buried
197 S A 0.0000 Buried
198 T A -0.5278 Soluble
199 L A 0.0000 Buried
200 T A -0.3813 Soluble
201 L A -0.6112 Soluble
202 S A -1.2242 Soluble
203 K A -2.0713 Soluble
204 A A -1.8763 Soluble
205 D A -2.3719 Soluble
206 Y A 0.0000 Buried
207 E A -3.4777 Soluble
208 K A -3.6207 Soluble
209 H A -2.9801 Soluble
210 K A -3.1470 Soluble
211 V A -1.3362 Soluble
212 Y A 0.0000 Buried
213 A A 0.0000 Buried
214 C A 0.0000 Buried
215 E A -0.9058 Soluble
216 V A 0.0000 Buried
217 T A -1.1515 Soluble
218 H A 0.0000 Buried
219 Q A -1.6088 Soluble
220 G A -0.4197 Soluble
221 L A -0.2383 Soluble
222 S A -0.4415 Soluble
223 S A -0.4111 Soluble
224 P A -0.5648 Soluble
225 V A -0.0031 Soluble
226 T A -0.4899 Soluble
227 K A -0.6826 Soluble
228 S A -0.5360 Soluble
229 F A -0.9828 Soluble
230 N A -1.9678 Soluble
231 R A -2.7501 Soluble
232 G A -2.2877 Soluble
233 E A -2.6053 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
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 -0.7406 5.2503 CSV PDB
4.5 -0.7792 5.1821 CSV PDB
5.0 -0.8247 5.0737 CSV PDB
5.5 -0.8679 4.9487 CSV PDB
6.0 -0.8978 4.8833 CSV PDB
6.5 -0.9061 4.8271 CSV PDB
7.0 -0.8916 4.7892 CSV PDB
7.5 -0.8613 4.7705 CSV PDB
8.0 -0.8216 4.7632 CSV PDB
8.5 -0.7753 4.7606 CSV PDB
9.0 -0.7233 4.7594 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH