Sotrovimab / 8y6a

A4DAB245_8y6a_C_D | Source PDB: 8y6a | Chains: C, D | Done
99.57
Yes
10 Å
Yes
Avg A4D Score
-0.7266
Max Score
1.9065
Min Score
-3.5848
Total Score
-317.52
Score CDR
-0.1597
Score non-CDR
-0.8065

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGYPFTSYGISWVRQAPGQGLEWMGWISTYNGNTNYAQKFQGRVTMTTDTSTTTGYMELRRLRSDDTAVYYCARDYTRGAWFGESLIGGFDNWGQGTLVTVSSASTKGPSVFPLAPSSKSTTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKEIVLTQSPGTLSLSPGERATLSCRASQTVSSTSLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQHDTSLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG 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 -3.5848
Maximum Score 1.9065
Average Score -0.7266
Total Score -317.5195

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

Index Residue Chain A4D Score Classification
1 Q C -0.8035 Soluble
2 V C 0.3276 Aggregation-prone
3 Q C -0.9159 Soluble
4 L C -0.4573 Soluble
5 V C -0.2521 Soluble
6 Q C 0.0000 Buried
7 S C -0.5621 Soluble
8 G C -0.5549 Soluble
9 A C 0.0438 Aggregation-prone
11 E C -0.2518 Soluble
12 V C 0.4195 Aggregation-prone
13 K C -1.0696 Soluble
14 K C -2.2938 Soluble
15 P C -2.6650 Soluble
16 G C -2.2668 Soluble
17 A C -1.8484 Soluble
18 S C -1.8648 Soluble
19 V C -1.1371 Soluble
20 K C -1.1188 Soluble
21 V C 0.0000 Buried
22 S C -0.5317 Soluble
23 C C 0.0000 Buried
24 K C -1.2171 Soluble
25 A C 0.0000 Buried
26 S C -0.6675 Soluble
27 G C -0.5155 Soluble
28 Y C -0.1811 Soluble
29 P C -0.3099 Soluble
30 F C 0.0000 Buried
35 T C 0.1030 Aggregation-prone
36 S C 0.2365 Aggregation-prone
37 Y C 0.3948 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 -0.7194 Soluble
44 Q C -0.8781 Soluble
45 A C -1.0803 Soluble
46 P C -0.9456 Soluble
47 G C -1.2218 Soluble
48 Q C -1.8639 Soluble
49 G C -1.4378 Soluble
50 L C 0.0000 Buried
51 E C -1.8977 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 -0.3414 Soluble
59 Y C 0.2489 Aggregation-prone
62 N C -1.0608 Soluble
63 G C -1.3678 Soluble
64 N C -1.7418 Soluble
65 T C -1.0954 Soluble
66 N C -0.8901 Soluble
67 Y C -0.9096 Soluble
68 A C -1.6911 Soluble
69 Q C -2.8525 Soluble
70 K C -2.7153 Soluble
71 F C 0.0000 Buried
72 Q C -2.5191 Soluble
74 G C -1.8441 Soluble
75 R C -2.1477 Soluble
76 V C 0.0000 Buried
77 T C -0.7713 Soluble
78 M C 0.0000 Buried
79 T C -0.3074 Soluble
80 T C -0.3870 Soluble
81 D C -0.7706 Soluble
82 T C -0.3656 Soluble
83 S C -0.4371 Soluble
84 T C -0.6335 Soluble
85 T C -0.7455 Soluble
86 T C 0.0000 Buried
87 G C 0.0000 Buried
88 Y C -0.3295 Soluble
89 M C 0.0000 Buried
90 E C -1.1423 Soluble
91 L C 0.0000 Buried
92 R C -3.3969 Soluble
93 R C -3.4507 Soluble
94 L C 0.0000 Buried
95 R C -3.5848 Soluble
96 S C -2.5095 Soluble
97 D C -2.5177 Soluble
98 D C 0.0000 Buried
99 T C -0.9477 Soluble
100 A C 0.0000 Buried
101 V C 0.2645 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 -0.2446 Soluble
107 D C 0.0000 Buried
108 Y C 0.7703 Aggregation-prone
109 T C 0.0000 Buried
110 R C 0.1908 Aggregation-prone
111 G C 0.7205 Aggregation-prone
111A A C 0.0000 Buried
111B W C 1.4789 Aggregation-prone
111C F C 1.8145 Aggregation-prone
112D G C -0.1032 Soluble
112C E C -1.1610 Soluble
112B S C -0.3278 Soluble
112A L C 1.2372 Aggregation-prone
112 I C 1.9065 Aggregation-prone
113 G C 0.0000 Buried
114 G C 0.0000 Buried
115 F C 0.0000 Buried
116 D C -0.8203 Soluble
117 N C -0.7021 Soluble
118 W C 0.0000 Buried
119 G C -1.0148 Soluble
120 Q C -1.5328 Soluble
121 G C 0.0000 Buried
122 T C 0.0000 Buried
123 L C 0.8085 Aggregation-prone
124 V C 0.0000 Buried
125 T C -0.2990 Soluble
126 V C 0.0000 Buried
127 S C -1.3007 Soluble
128 S C -1.1456 Soluble
129 A C -0.7318 Soluble
130 S C -0.5573 Soluble
131 T C -0.8917 Soluble
132 K C -1.2394 Soluble
133 G C -1.2368 Soluble
134 P C 0.0000 Buried
135 S C -0.2279 Soluble
136 V C 0.0000 Buried
137 F C 0.0000 Buried
138 P C -1.0505 Soluble
139 L C 0.0000 Buried
140 A C -0.9975 Soluble
141 P C 0.0000 Buried
142 S C -1.1269 Soluble
143 S C -1.7814 Soluble
144 K C -2.2430 Soluble
145 S C -1.4456 Soluble
146 T C -0.7266 Soluble
147 T C -0.3224 Soluble
148 A C 0.0000 Buried
149 A C 0.0000 Buried
150 L C 0.0000 Buried
151 G C 0.0000 Buried
152 C C 0.0000 Buried
153 L C 0.0000 Buried
154 V C 0.0000 Buried
155 K C 0.0000 Buried
156 D C -0.7373 Soluble
157 Y C 0.0000 Buried
158 F C 0.0000 Buried
159 P C -0.6019 Soluble
160 E C -1.2438 Soluble
161 P C -1.3492 Soluble
162 V C -1.2725 Soluble
163 T C -0.9341 Soluble
164 V C -0.4357 Soluble
165 S C -0.3360 Soluble
166 W C 0.0000 Buried
167 N C -0.5895 Soluble
168 S C -0.4898 Soluble
169 G C -0.6283 Soluble
170 A C -0.2678 Soluble
171 L C 0.0219 Aggregation-prone
172 T C -0.1199 Soluble
173 S C -0.1398 Soluble
174 G C 0.0183 Aggregation-prone
175 V C 0.4100 Aggregation-prone
176 H C -0.1896 Soluble
177 T C 0.0294 Aggregation-prone
178 F C 0.0000 Buried
179 P C -0.2855 Soluble
180 A C 0.1465 Aggregation-prone
181 V C 0.3542 Aggregation-prone
182 L C 0.7959 Aggregation-prone
183 Q C -0.2410 Soluble
184 S C -0.4060 Soluble
185 S C -0.3550 Soluble
186 G C -0.1719 Soluble
187 L C -0.1180 Soluble
188 Y C 0.1937 Aggregation-prone
189 S C -0.0642 Soluble
190 L C 0.0000 Buried
191 S C -0.0325 Soluble
192 S C 0.0000 Buried
193 V C 0.0000 Buried
194 V C 0.0000 Buried
195 T C -0.0509 Soluble
196 V C 0.0000 Buried
197 P C -0.4692 Soluble
198 S C -0.5349 Soluble
199 S C -0.4568 Soluble
200 S C -0.6008 Soluble
201 L C -1.1011 Soluble
202 G C -1.5686 Soluble
203 T C -1.0593 Soluble
204 Q C -1.5134 Soluble
205 T C -1.2345 Soluble
206 Y C 0.0000 Buried
207 I C -0.6810 Soluble
208 C C 0.0000 Buried
209 N C -0.9652 Soluble
210 V C 0.0000 Buried
211 N C -2.0760 Soluble
212 H C 0.0000 Buried
213 K C -2.9620 Soluble
214 P C -1.8606 Soluble
215 S C -1.9244 Soluble
216 N C -2.5431 Soluble
217 T C -1.8851 Soluble
218 K C -2.1157 Soluble
219 V C -0.3045 Soluble
220 D C -1.0652 Soluble
221 K C -1.3676 Soluble
222 K C -1.8659 Soluble
223 V C 0.0000 Buried
224 E C -2.7278 Soluble
225 P C -2.1618 Soluble
226 K C -2.6176 Soluble
1 E D -1.8148 Soluble
2 I D 0.0000 Buried
3 V D 0.7055 Aggregation-prone
4 L D 0.0000 Buried
5 T D -0.2326 Soluble
6 Q D 0.0000 Buried
7 S D -0.8264 Soluble
8 P D -0.7179 Soluble
9 G D -0.9457 Soluble
10 T D -0.7752 Soluble
11 L D -0.4298 Soluble
12 S D -0.5268 Soluble
13 L D -0.8514 Soluble
14 S D -1.5368 Soluble
15 P D -2.0538 Soluble
16 G D -2.5056 Soluble
17 E D -3.0205 Soluble
18 R D -3.1635 Soluble
19 A D 0.0000 Buried
20 T D -0.4814 Soluble
21 L D 0.0000 Buried
22 S D -0.7620 Soluble
23 C D 0.0000 Buried
24 R D -2.1738 Soluble
25 A D -1.1051 Soluble
26 S D -1.0714 Soluble
27 Q D -1.5484 Soluble
28 T D -1.2355 Soluble
29 V D 0.0000 Buried
30 S D -0.6931 Soluble
36 S D -0.3374 Soluble
37 T D 0.3525 Aggregation-prone
38 S D 0.1325 Aggregation-prone
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 -1.6239 Soluble
46 P D -1.3589 Soluble
47 G D -1.4342 Soluble
48 Q D -2.0949 Soluble
49 A D -1.4984 Soluble
50 P D 0.0000 Buried
51 R D -1.7932 Soluble
52 L D 0.0000 Buried
53 L D 0.0000 Buried
54 I D 0.0000 Buried
55 Y D 0.2561 Aggregation-prone
56 G D 0.3866 Aggregation-prone
57 A D 0.0000 Buried
65 S D -0.6295 Soluble
66 S D -0.5672 Soluble
67 R D -1.5055 Soluble
68 A D -0.8983 Soluble
69 T D -0.6130 Soluble
70 G D -0.7975 Soluble
71 I D -0.9912 Soluble
72 P D -1.2519 Soluble
74 D D -2.3831 Soluble
75 R D -1.9171 Soluble
76 F D 0.0000 Buried
77 S D -0.9194 Soluble
78 G D -0.5027 Soluble
79 S D -0.5468 Soluble
80 G D -0.9131 Soluble
83 S D -0.8997 Soluble
84 G D -1.0207 Soluble
85 T D -1.4889 Soluble
86 D D -1.7159 Soluble
87 F D 0.0000 Buried
88 T D -0.6531 Soluble
89 L D 0.0000 Buried
90 T D -0.7492 Soluble
91 I D 0.0000 Buried
92 S D -2.5944 Soluble
93 R D -3.5848 Soluble
94 L D 0.0000 Buried
95 E D -2.5951 Soluble
96 P D -1.9478 Soluble
97 E D -2.3728 Soluble
98 D D 0.0000 Buried
99 F D 0.0000 Buried
100 A D 0.0000 Buried
101 V D -0.7014 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 -0.4417 Soluble
108 D D -1.1171 Soluble
114 T D -1.0184 Soluble
115 S D -1.0475 Soluble
116 L D 0.0000 Buried
117 T D -0.5574 Soluble
118 F D 0.0000 Buried
119 G D 0.0000 Buried
120 G D -1.0096 Soluble
121 G D -0.8989 Soluble
122 T D 0.0000 Buried
123 K D -1.3716 Soluble
124 V D 0.0000 Buried
125 E D -0.8180 Soluble
126 I D -0.3912 Soluble
127 K D -0.9228 Soluble
128 R D -0.6587 Soluble
129 T D 0.2480 Aggregation-prone
130 V D 1.1512 Aggregation-prone
131 A D 0.2586 Aggregation-prone
132 A D 0.1166 Aggregation-prone
133 P D -0.1991 Soluble
134 S D -0.4771 Soluble
135 V D 0.0000 Buried
136 F D -0.1839 Soluble
137 I D 0.0156 Aggregation-prone
138 F D 0.0000 Buried
139 P D -0.5225 Soluble
140 P D -0.7323 Soluble
141 S D -1.5472 Soluble
142 D D -2.7895 Soluble
143 E D -2.7993 Soluble
144 Q D 0.0000 Buried
145 L D -2.0421 Soluble
146 K D -2.7974 Soluble
147 S D -1.7529 Soluble
148 G D -1.3663 Soluble
149 T D -1.1423 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 -0.4904 Soluble
158 N D -0.8792 Soluble
159 F D 0.0000 Buried
160 Y D 0.0000 Buried
161 P D -1.5753 Soluble
162 R D -3.0395 Soluble
163 E D -3.2476 Soluble
164 A D -2.2195 Soluble
165 K D -2.0101 Soluble
166 V D 0.0000 Buried
167 Q D -0.8362 Soluble
168 W D 0.0000 Buried
169 K D -0.8734 Soluble
170 V D 0.0000 Buried
171 D D -1.9097 Soluble
172 N D -1.5019 Soluble
173 A D -0.5321 Soluble
174 L D 0.1482 Aggregation-prone
175 Q D -0.8931 Soluble
176 S D -0.7858 Soluble
177 G D -1.0008 Soluble
178 N D -0.9243 Soluble
179 S D -1.3337 Soluble
180 Q D -1.3765 Soluble
181 E D -1.9123 Soluble
182 S D 0.0000 Buried
183 V D -0.7081 Soluble
184 T D -1.2001 Soluble
185 E D -2.4657 Soluble
186 Q D -2.3355 Soluble
187 D D -2.7851 Soluble
188 S D -2.1980 Soluble
189 K D -2.6597 Soluble
190 D D -2.3304 Soluble
191 S D -2.1609 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 -0.6955 Soluble
199 L D 0.0000 Buried
200 T D -0.4127 Soluble
201 L D -0.6293 Soluble
202 S D -1.2296 Soluble
203 K D -2.1560 Soluble
204 A D -1.8913 Soluble
205 D D -2.5191 Soluble
206 Y D -2.3679 Soluble
207 E D -3.5827 Soluble
208 K D -3.4796 Soluble
209 H D -2.9676 Soluble
210 K D -2.8624 Soluble
211 V D -1.2576 Soluble
212 Y D 0.0000 Buried
213 A D -0.6518 Soluble
214 C D 0.0000 Buried
215 E D -0.7555 Soluble
216 V D 0.0000 Buried
217 T D -1.0358 Soluble
218 H D 0.0000 Buried
219 Q D -1.8114 Soluble
220 G D -0.5636 Soluble
221 L D -0.0708 Soluble
222 S D -0.4191 Soluble
223 S D -0.3805 Soluble
224 P D -0.5421 Soluble
225 V D -0.2177 Soluble
226 T D -0.7599 Soluble
227 K D -1.3521 Soluble
228 S D -0.4962 Soluble
229 F D -0.2268 Soluble
230 N D -1.1320 Soluble
231 R D -1.5765 Soluble
232 G D -1.0652 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 -0.7635 5.4316 CSV PDB
4.5 -0.8057 5.3445 CSV PDB
5.0 -0.8554 5.2214 CSV PDB
5.5 -0.9021 5.0832 CSV PDB
6.0 -0.9339 4.951 CSV PDB
6.5 -0.9416 4.8468 CSV PDB
7.0 -0.9247 4.7847 CSV PDB
7.5 -0.8911 4.7717 CSV PDB
8.0 -0.8482 4.7672 CSV PDB
8.5 -0.7987 4.7656 CSV PDB
9.0 -0.7434 4.7647 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH