Sotrovimab / 7r6w

A4DAB245_7r6w_A_B | Source PDB: 7r6w | Chains: A, B | Done
99.57
Yes
10 Å
Yes
Avg A4D Score
-0.676
Max Score
2.1692
Min Score
-3.5792
Total Score
-293.37
Score CDR
-0.193
Score non-CDR
-0.7446

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGYPFTSYGISWVRQAPGQGLEWMGWISTYNGNTNYAQKFQGRVTMTTDTSTTTGYMELRRLRSDDTAVYYCARDYTRGAWFGESLIGGFDNWGQGTLVTVSSASTKGPSVFPLAPGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKEIVLTQSPGTLSLSPGERATLSCRASQTVSSTSLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQHDTSLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE 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 -3.5792
Maximum Score 2.1692
Average Score -0.676
Total Score -293.3731

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

Index Residue Chain A4D Score Classification
1 Q A -1.6039 Soluble
2 V A -1.3515 Soluble
3 Q A -1.5417 Soluble
4 L A 0.0000 Buried
5 V A 0.4858 Aggregation-prone
6 Q A 0.0000 Buried
7 S A -0.3042 Soluble
8 G A -0.2958 Soluble
9 A A 0.4990 Aggregation-prone
11 E A 0.3176 Aggregation-prone
12 V A 1.1834 Aggregation-prone
13 K A -0.8702 Soluble
14 K A -2.3421 Soluble
15 P A -2.6634 Soluble
16 G A -2.2070 Soluble
17 A A -1.7914 Soluble
18 S A -1.9191 Soluble
19 V A 0.0000 Buried
20 K A -1.9262 Soluble
21 V A 0.0000 Buried
22 S A -0.4456 Soluble
23 C A 0.0000 Buried
24 K A -0.4542 Soluble
25 A A 0.0000 Buried
26 S A -0.8391 Soluble
27 G A -1.1373 Soluble
28 Y A -0.5544 Soluble
29 P A -0.2796 Soluble
30 F A 0.0000 Buried
35 T A 0.3078 Aggregation-prone
36 S A 0.4045 Aggregation-prone
37 Y A 0.5179 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 -0.3162 Soluble
44 Q A -0.5979 Soluble
45 A A -0.9312 Soluble
46 P A -0.7370 Soluble
47 G A -1.2212 Soluble
48 Q A -1.7707 Soluble
49 G A -1.1241 Soluble
50 L A 0.0000 Buried
51 E A -0.6350 Soluble
52 W A -0.2537 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 0.7105 Aggregation-prone
62 N A -0.7724 Soluble
63 G A -1.2880 Soluble
64 N A -1.7335 Soluble
65 T A -1.2492 Soluble
66 N A -1.3564 Soluble
67 Y A -1.1610 Soluble
68 A A -1.4904 Soluble
69 Q A -2.4911 Soluble
70 K A -2.6124 Soluble
71 F A 0.0000 Buried
72 Q A -2.2695 Soluble
74 G A -1.5422 Soluble
75 R A -1.7224 Soluble
76 V A 0.0000 Buried
77 T A -0.7321 Soluble
78 M A 0.0000 Buried
79 T A -0.4395 Soluble
80 T A -0.5711 Soluble
81 D A -1.0617 Soluble
82 T A -0.4702 Soluble
83 S A -0.5201 Soluble
84 T A -0.5607 Soluble
85 T A -0.6012 Soluble
86 T A 0.0000 Buried
87 G A 0.0000 Buried
88 Y A -0.4421 Soluble
89 M A 0.0000 Buried
90 E A -1.1879 Soluble
91 L A 0.0000 Buried
92 R A -2.3123 Soluble
93 R A -2.9789 Soluble
94 L A 0.0000 Buried
95 R A -3.5119 Soluble
96 S A -2.3756 Soluble
97 D A -2.4931 Soluble
98 D A 0.0000 Buried
99 T A -0.6914 Soluble
100 A A 0.0000 Buried
101 V A 0.4916 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 -0.3204 Soluble
107 D A 0.0000 Buried
108 Y A 1.0891 Aggregation-prone
109 T A 0.0000 Buried
110 R A -0.4042 Soluble
111 G A 0.0000 Buried
111A A A 0.0000 Buried
111B W A 1.5967 Aggregation-prone
111C F A 1.7623 Aggregation-prone
112D G A -0.2997 Soluble
112C E A -1.3990 Soluble
112B S A -0.6549 Soluble
112A L A 0.5167 Aggregation-prone
112 I A 2.1692 Aggregation-prone
113 G A 0.0000 Buried
114 G A 0.0000 Buried
115 F A 0.0000 Buried
116 D A -0.7689 Soluble
117 N A -1.2761 Soluble
118 W A 0.0000 Buried
119 G A 0.0000 Buried
120 Q A -1.2440 Soluble
121 G A -0.2875 Soluble
122 T A 0.0000 Buried
123 L A 1.3209 Aggregation-prone
124 V A 0.0000 Buried
125 T A -0.0828 Soluble
126 V A 0.0000 Buried
127 S A -1.2329 Soluble
128 S A -1.2116 Soluble
129 A A -0.7183 Soluble
130 S A -0.5493 Soluble
131 T A -0.7111 Soluble
132 K A -1.2084 Soluble
133 G A -1.3865 Soluble
134 P A 0.0000 Buried
135 S A -0.3659 Soluble
136 V A 0.0000 Buried
137 F A 0.0000 Buried
138 P A -1.0030 Soluble
139 L A 0.0000 Buried
140 A A -0.7474 Soluble
141 P A -0.5243 Soluble
142 G A -0.6485 Soluble
143 T A -0.4873 Soluble
144 A A -0.2106 Soluble
145 A A 0.0000 Buried
146 L A 0.0000 Buried
147 G A 0.0000 Buried
148 C A 0.0000 Buried
149 L A 0.0000 Buried
150 V A 0.0000 Buried
151 K A 0.0000 Buried
152 D A -0.3707 Soluble
153 Y A 0.0000 Buried
154 F A 0.0000 Buried
155 P A -0.6404 Soluble
156 E A -1.0422 Soluble
157 P A -1.1304 Soluble
158 V A -0.9245 Soluble
159 T A -0.7493 Soluble
160 V A -0.2470 Soluble
161 S A -0.4764 Soluble
162 W A 0.0000 Buried
163 N A -0.8479 Soluble
164 S A -0.7344 Soluble
165 G A -0.5487 Soluble
166 A A -0.2888 Soluble
167 L A -0.0184 Soluble
168 T A -0.1608 Soluble
169 S A -0.1497 Soluble
170 G A -0.1532 Soluble
171 V A 0.2183 Aggregation-prone
172 H A -0.0286 Soluble
173 T A 0.0668 Aggregation-prone
174 F A 0.0000 Buried
175 P A -0.3523 Soluble
176 A A 0.0018 Aggregation-prone
177 V A 0.3649 Aggregation-prone
178 L A 1.1447 Aggregation-prone
179 Q A 0.3065 Aggregation-prone
180 S A -0.0264 Soluble
181 S A -0.1840 Soluble
182 G A 0.0345 Aggregation-prone
183 L A 0.0520 Aggregation-prone
184 Y A 0.3033 Aggregation-prone
185 S A 0.0000 Buried
186 L A 0.0000 Buried
187 S A 0.0000 Buried
188 S A 0.0000 Buried
189 V A 0.0000 Buried
190 V A 0.0000 Buried
191 T A -0.1292 Soluble
192 V A 0.0000 Buried
193 P A -0.5887 Soluble
194 S A -0.4971 Soluble
195 S A -0.5715 Soluble
196 S A 0.0000 Buried
197 L A -0.8208 Soluble
198 G A -1.2957 Soluble
199 T A -0.8037 Soluble
200 Q A -1.5190 Soluble
201 T A -1.1630 Soluble
202 Y A 0.0000 Buried
203 I A -1.0904 Soluble
204 C A 0.0000 Buried
205 N A -1.5549 Soluble
206 V A 0.0000 Buried
207 N A -2.2769 Soluble
208 H A 0.0000 Buried
209 K A -2.8922 Soluble
210 P A -1.7315 Soluble
211 S A -1.8716 Soluble
212 N A -2.6500 Soluble
213 T A -2.1404 Soluble
214 K A -2.7886 Soluble
215 V A -1.6348 Soluble
216 D A -2.5450 Soluble
217 K A -1.8436 Soluble
218 K A -2.1679 Soluble
219 V A 0.0000 Buried
220 E A -2.4478 Soluble
221 P A -1.6456 Soluble
222 K A -2.1448 Soluble
1 E B -1.6597 Soluble
2 I B 0.0000 Buried
3 V B 0.4482 Aggregation-prone
4 L B 0.0000 Buried
5 T B -0.7468 Soluble
6 Q B -0.7977 Soluble
7 S B -0.8527 Soluble
8 P B -0.5351 Soluble
9 G B -0.7380 Soluble
10 T B -0.4516 Soluble
11 L B -0.1192 Soluble
12 S B -0.3605 Soluble
13 L B -0.7049 Soluble
14 S B -1.2687 Soluble
15 P B -1.8178 Soluble
16 G B -2.1908 Soluble
17 E B -2.5137 Soluble
18 R B -2.9401 Soluble
19 A B 0.0000 Buried
20 T B -0.5492 Soluble
21 L B 0.0000 Buried
22 S B -1.0170 Soluble
23 C B 0.0000 Buried
24 R B -2.4768 Soluble
25 A B -1.3159 Soluble
26 S B -1.1251 Soluble
27 Q B -1.8394 Soluble
28 T B -1.3436 Soluble
29 V B 0.0000 Buried
30 S B -0.6655 Soluble
36 S B -0.2333 Soluble
37 T B 0.3841 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 -0.9386 Soluble
45 K B -1.4631 Soluble
46 P B -1.2064 Soluble
47 G B -1.3853 Soluble
48 Q B -2.0318 Soluble
49 A B -1.4584 Soluble
50 P B 0.0000 Buried
51 R B -1.5021 Soluble
52 L B 0.0000 Buried
53 L B 0.0000 Buried
54 I B 0.0000 Buried
55 Y B 0.4808 Aggregation-prone
56 G B 0.4056 Aggregation-prone
57 A B 0.0000 Buried
65 S B -0.6339 Soluble
66 S B -0.4288 Soluble
67 R B -1.4579 Soluble
68 A B -0.8051 Soluble
69 T B -0.5904 Soluble
70 G B -0.8845 Soluble
71 I B 0.0000 Buried
72 P B -1.3165 Soluble
74 D B -2.4033 Soluble
75 R B -2.0343 Soluble
76 F B 0.0000 Buried
77 S B -0.9471 Soluble
78 G B 0.0000 Buried
79 S B -0.7096 Soluble
80 G B -1.1596 Soluble
83 S B -1.1399 Soluble
84 G B -1.2318 Soluble
85 T B -1.8513 Soluble
86 D B -2.4094 Soluble
87 F B 0.0000 Buried
88 T B -0.8438 Soluble
89 L B 0.0000 Buried
90 T B -0.8203 Soluble
91 I B 0.0000 Buried
92 S B -2.3851 Soluble
93 R B -3.4448 Soluble
94 L B 0.0000 Buried
95 E B -2.4556 Soluble
96 P B -1.8112 Soluble
97 E B -2.3671 Soluble
98 D B 0.0000 Buried
99 F B 0.0000 Buried
100 A B 0.0000 Buried
101 V B -0.0599 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 -1.2120 Soluble
114 T B -1.1404 Soluble
115 S B -0.9687 Soluble
116 L B 0.0000 Buried
117 T B -0.1129 Soluble
118 F B 0.2291 Aggregation-prone
119 G B 0.0000 Buried
120 G B -0.6429 Soluble
121 G B -0.6449 Soluble
122 T B 0.0000 Buried
123 K B -0.4471 Soluble
124 V B 0.0000 Buried
125 E B 0.0000 Buried
126 I B -0.3804 Soluble
127 K B -0.9340 Soluble
128 R B -0.8168 Soluble
129 T B 0.1969 Aggregation-prone
130 V B 1.0860 Aggregation-prone
131 A B 0.4489 Aggregation-prone
132 A B 0.0702 Aggregation-prone
133 P B 0.0000 Buried
134 S B -0.0421 Soluble
135 V B 0.1201 Aggregation-prone
136 F B 0.2033 Aggregation-prone
137 I B 0.1701 Aggregation-prone
138 F B 0.0000 Buried
139 P B -0.4872 Soluble
140 P B 0.0000 Buried
141 S B -1.5298 Soluble
142 D B -2.8649 Soluble
143 E B -2.7352 Soluble
144 Q B 0.0000 Buried
145 L B -2.1146 Soluble
146 K B -2.7385 Soluble
147 S B -1.6787 Soluble
148 G B -1.2089 Soluble
149 T B -1.0297 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 0.0000 Buried
158 N B -0.6997 Soluble
159 F B 0.0000 Buried
160 Y B 0.0000 Buried
161 P B -1.0760 Soluble
162 R B -2.0264 Soluble
163 E B -2.7743 Soluble
164 A B -1.9713 Soluble
165 K B -2.1355 Soluble
166 V B -1.0469 Soluble
167 Q B -0.6738 Soluble
168 W B 0.0000 Buried
169 K B -0.6801 Soluble
170 V B 0.0000 Buried
171 D B -1.9526 Soluble
172 N B -1.6171 Soluble
173 A B -0.3867 Soluble
174 L B 0.4507 Aggregation-prone
175 Q B -0.2149 Soluble
176 S B -0.4697 Soluble
177 G B -0.8758 Soluble
178 N B -0.7837 Soluble
179 S B -1.1244 Soluble
180 Q B -1.3670 Soluble
181 E B -1.8888 Soluble
182 S B -0.8646 Soluble
183 V B -0.3496 Soluble
184 T B -0.8833 Soluble
185 E B -2.0408 Soluble
186 Q B -1.6542 Soluble
187 D B -1.8617 Soluble
188 S B -1.6769 Soluble
189 K B -2.3475 Soluble
190 D B -1.9411 Soluble
191 S B -1.6782 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 0.0000 Buried
197 S B 0.0000 Buried
198 T B -0.6479 Soluble
199 L B 0.0000 Buried
200 T B -0.4879 Soluble
201 L B -0.7768 Soluble
202 S B -1.1576 Soluble
203 K B -2.0866 Soluble
204 A B -1.9690 Soluble
205 D B -2.9678 Soluble
206 Y B 0.0000 Buried
207 E B -3.2383 Soluble
208 K B -3.5792 Soluble
209 H B -3.0460 Soluble
210 K B -2.9766 Soluble
211 V B -1.3470 Soluble
212 Y B 0.0000 Buried
213 A B 0.0000 Buried
214 C B 0.0000 Buried
215 E B -0.6459 Soluble
216 V B 0.0000 Buried
217 T B -1.1971 Soluble
218 H B 0.0000 Buried
219 Q B -1.3210 Soluble
220 G B -0.1944 Soluble
221 L B -0.1014 Soluble
222 S B -0.4329 Soluble
223 S B -0.4351 Soluble
224 P B -0.5849 Soluble
225 V B 0.0277 Aggregation-prone
226 T B -0.4121 Soluble
227 K B -0.5739 Soluble
228 S B -0.4894 Soluble
229 F B -0.8113 Soluble
230 N B -1.7764 Soluble
231 R B -2.4056 Soluble
232 G B -2.2410 Soluble
233 E B -2.4418 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 -0.6484 5.2938 CSV PDB
4.5 -0.6919 5.2128 CSV PDB
5.0 -0.7425 5.0958 CSV PDB
5.5 -0.7909 4.9623 CSV PDB
6.0 -0.8269 4.8878 CSV PDB
6.5 -0.8419 4.8391 CSV PDB
7.0 -0.8349 4.8094 CSV PDB
7.5 -0.8128 4.7959 CSV PDB
8.0 -0.7816 4.7909 CSV PDB
8.5 -0.7433 4.789 CSV PDB
9.0 -0.6981 4.7878 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH