Sotrovimab / 8dw3

A4DAB245_8dw3_D_C | Source PDB: 8dw3 | Chains: D, C | Done
99.57
Yes
10 Å
Yes
Avg A4D Score
-0.7651
Max Score
1.9272
Min Score
-3.5088
Total Score
-337.4
Score CDR
-0.1763
Score non-CDR
-0.8473

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGYPFTSYGISWVRQAPGQGLEWMGWISTYNGNTNYAQKFQGRVTMTTDTSTTTGYMELRRLRSDDTAVYYCARDYTRGAWFGESLIGGFDNWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKEIVLTQSPGTLSLSPGERATLSCRASQTVSSTSLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQHDTSLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input.pdb
Selected Chain(s) D (Heavy), C (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 -3.5088
Maximum Score 1.9272
Average Score -0.7651
Total Score -337.4041

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

Index Residue Chain A4D Score Classification
1 Q D -1.3751 Soluble
2 V D -0.9787 Soluble
3 Q D -1.4819 Soluble
4 L D -0.9653 Soluble
5 V D -0.5581 Soluble
6 Q D 0.0000 Buried
7 S D -0.7648 Soluble
8 G D -0.5693 Soluble
9 A D 0.1179 Aggregation-prone
11 E D -0.2584 Soluble
12 V D 0.1383 Aggregation-prone
13 K D -1.2400 Soluble
14 K D -2.3273 Soluble
15 P D -2.5272 Soluble
16 G D -2.0621 Soluble
17 A D -1.5909 Soluble
18 S D -1.6987 Soluble
19 V D -1.2311 Soluble
20 K D -1.8610 Soluble
21 V D 0.0000 Buried
22 S D -0.6399 Soluble
23 C D 0.0000 Buried
24 K D -1.2593 Soluble
25 A D -0.9404 Soluble
26 S D -1.0137 Soluble
27 G D -0.8846 Soluble
28 Y D -0.3560 Soluble
29 P D -0.2691 Soluble
30 F D 0.0000 Buried
35 T D 0.3754 Aggregation-prone
36 S D 0.3616 Aggregation-prone
37 Y D 0.6353 Aggregation-prone
38 G D 0.0000 Buried
39 I D 0.0000 Buried
40 S D 0.0000 Buried
41 W D 0.0000 Buried
42 V D 0.0000 Buried
43 R D 0.0000 Buried
44 Q D 0.0000 Buried
45 A D -1.0561 Soluble
46 P D -0.8043 Soluble
47 G D -1.1967 Soluble
48 Q D -1.8190 Soluble
49 G D -1.2890 Soluble
50 L D 0.0000 Buried
51 E D -1.4679 Soluble
52 W D 0.0000 Buried
53 M D 0.0000 Buried
54 G D 0.0000 Buried
55 W D 0.0000 Buried
56 I D 0.0000 Buried
57 S D 0.0000 Buried
58 T D 0.0000 Buried
59 Y D 0.5499 Aggregation-prone
62 N D -0.7901 Soluble
63 G D -1.3148 Soluble
64 N D -1.7812 Soluble
65 T D -1.3016 Soluble
66 N D -1.2807 Soluble
67 Y D -0.8774 Soluble
68 A D -1.3284 Soluble
69 Q D -2.2310 Soluble
70 K D -2.0568 Soluble
71 F D -1.5428 Soluble
72 Q D -2.0604 Soluble
74 G D -1.6963 Soluble
75 R D -1.9210 Soluble
76 V D 0.0000 Buried
77 T D -0.6684 Soluble
78 M D 0.0000 Buried
79 T D -0.1643 Soluble
80 T D -0.2628 Soluble
81 D D -0.4499 Soluble
82 T D -0.2407 Soluble
83 S D -0.4229 Soluble
84 T D -0.5372 Soluble
85 T D -0.6841 Soluble
86 T D -0.6260 Soluble
87 G D 0.0000 Buried
88 Y D -0.3398 Soluble
89 M D 0.0000 Buried
90 E D -1.1701 Soluble
91 L D 0.0000 Buried
92 R D -2.4994 Soluble
93 R D -2.9936 Soluble
94 L D 0.0000 Buried
95 R D -3.4607 Soluble
96 S D -2.4974 Soluble
97 D D -2.6189 Soluble
98 D D -1.6416 Soluble
99 T D -0.7270 Soluble
100 A D 0.0000 Buried
101 V D 0.5510 Aggregation-prone
102 Y D 0.0000 Buried
103 Y D 0.0000 Buried
104 C D 0.0000 Buried
105 A D 0.0000 Buried
106 R D -0.2081 Soluble
107 D D 0.0000 Buried
108 Y D 0.9768 Aggregation-prone
109 T D 0.0000 Buried
110 R D -0.0503 Soluble
111 G D 0.3617 Aggregation-prone
111A A D 0.0000 Buried
111B W D 1.6192 Aggregation-prone
111C F D 1.6530 Aggregation-prone
112D G D -0.1540 Soluble
112C E D -0.9729 Soluble
112B S D -0.5278 Soluble
112A L D 0.6529 Aggregation-prone
112 I D 1.9272 Aggregation-prone
113 G D 0.0000 Buried
114 G D 0.0000 Buried
115 F D 0.0000 Buried
116 D D -0.9807 Soluble
117 N D -0.8768 Soluble
118 W D 0.0000 Buried
119 G D 0.0000 Buried
120 Q D -1.2655 Soluble
121 G D -0.4923 Soluble
122 T D 0.0000 Buried
123 L D 0.8605 Aggregation-prone
124 V D 0.5447 Aggregation-prone
125 T D 0.0000 Buried
126 V D 0.0000 Buried
127 S D -1.2334 Soluble
128 S D -0.9009 Soluble
129 A D -0.8259 Soluble
130 S D -0.8544 Soluble
131 T D -0.9751 Soluble
132 K D -1.7707 Soluble
133 G D -1.5534 Soluble
134 P D -1.1501 Soluble
135 S D -0.6442 Soluble
136 V D 0.0000 Buried
137 F D -0.6662 Soluble
138 P D -0.8287 Soluble
139 L D 0.0000 Buried
140 A D -1.1282 Soluble
141 P D 0.0000 Buried
142 S D -1.8086 Soluble
143 S D -1.6467 Soluble
144 K D -2.1347 Soluble
145 S D -1.2293 Soluble
146 T D -1.0115 Soluble
147 S D -0.9687 Soluble
148 G D -0.8922 Soluble
149 G D -0.8990 Soluble
150 T D -0.5819 Soluble
151 A D 0.0000 Buried
152 A D 0.0000 Buried
153 L D 0.0000 Buried
154 G D 0.0000 Buried
155 C D 0.0000 Buried
156 L D 0.0000 Buried
157 V D 0.0000 Buried
158 K D -0.8265 Soluble
159 D D -1.3811 Soluble
160 Y D 0.0000 Buried
161 F D 0.0000 Buried
162 P D -0.7961 Soluble
163 E D -0.7856 Soluble
164 P D -0.8188 Soluble
165 V D -0.4582 Soluble
166 T D -0.6081 Soluble
167 V D -0.1008 Soluble
168 S D -0.3248 Soluble
169 W D 0.0000 Buried
170 N D -0.8017 Soluble
171 S D -0.6605 Soluble
172 G D -0.4635 Soluble
173 A D -0.2439 Soluble
174 L D 0.0449 Aggregation-prone
175 T D -0.0940 Soluble
176 S D -0.1265 Soluble
177 G D -0.0676 Soluble
178 V D 0.3006 Aggregation-prone
179 H D -0.1649 Soluble
180 T D -0.0604 Soluble
181 F D 0.0000 Buried
182 P D -0.2813 Soluble
183 A D 0.2723 Aggregation-prone
184 V D 0.3286 Aggregation-prone
185 L D 0.7976 Aggregation-prone
186 Q D -0.4546 Soluble
187 S D -0.5222 Soluble
188 S D -0.4221 Soluble
189 G D -0.2005 Soluble
190 L D -0.2603 Soluble
191 Y D 0.0000 Buried
192 S D -0.0860 Soluble
193 L D 0.1224 Aggregation-prone
194 S D -0.0088 Soluble
195 S D 0.0000 Buried
196 V D 0.0000 Buried
197 V D 0.0000 Buried
198 T D -0.1605 Soluble
199 V D 0.0000 Buried
200 P D -0.5861 Soluble
201 S D -0.6305 Soluble
202 S D -0.5105 Soluble
203 S D -0.4497 Soluble
204 L D -0.5901 Soluble
205 G D -0.8626 Soluble
206 T D -0.5541 Soluble
207 Q D -0.8150 Soluble
208 T D -1.0504 Soluble
209 Y D -0.7925 Soluble
210 I D -1.3036 Soluble
211 C D 0.0000 Buried
212 N D -1.6348 Soluble
213 V D 0.0000 Buried
214 N D -2.0227 Soluble
215 H D 0.0000 Buried
216 K D -2.7887 Soluble
217 P D -1.7597 Soluble
218 S D -1.8957 Soluble
219 N D -2.6128 Soluble
220 T D -1.9402 Soluble
221 K D -2.6174 Soluble
222 V D -1.4076 Soluble
223 D D -2.5399 Soluble
224 K D -2.1126 Soluble
225 K D -2.6212 Soluble
226 V D 0.0000 Buried
227 E D -2.7889 Soluble
228 P D -1.9266 Soluble
229 K D -2.7418 Soluble
1 E C -1.6763 Soluble
2 I C 0.0000 Buried
3 V C 0.9262 Aggregation-prone
4 L C 0.0074 Aggregation-prone
5 T C -0.3716 Soluble
6 Q C 0.0000 Buried
7 S C -0.8255 Soluble
8 P C -0.7076 Soluble
9 G C -0.9053 Soluble
10 T C -0.5478 Soluble
11 L C -0.1859 Soluble
12 S C -0.5405 Soluble
13 L C 0.0000 Buried
14 S C -1.3554 Soluble
15 P C -1.8867 Soluble
16 G C -2.3395 Soluble
17 E C -2.9915 Soluble
18 R C -3.1299 Soluble
19 A C 0.0000 Buried
20 T C -0.5092 Soluble
21 L C 0.0000 Buried
22 S C -1.0242 Soluble
23 C C 0.0000 Buried
24 R C -2.5243 Soluble
25 A C 0.0000 Buried
26 S C -1.0347 Soluble
27 Q C -1.5234 Soluble
28 T C -1.3183 Soluble
29 V C 0.0000 Buried
30 S C -0.6821 Soluble
36 S C -0.5190 Soluble
37 T C 0.1243 Aggregation-prone
38 S C 0.0000 Buried
39 L C 0.0000 Buried
40 A C 0.0000 Buried
41 W C 0.0000 Buried
42 Y C 0.0000 Buried
43 Q C 0.0000 Buried
44 Q C -0.7641 Soluble
45 K C -1.1248 Soluble
46 P C -1.2172 Soluble
47 G C -1.4275 Soluble
48 Q C -1.8876 Soluble
49 A C -1.2949 Soluble
50 P C 0.0000 Buried
51 R C -1.1309 Soluble
52 L C 0.0000 Buried
53 L C 0.0000 Buried
54 I C 0.0000 Buried
55 Y C 0.5023 Aggregation-prone
56 G C 0.4949 Aggregation-prone
57 A C 0.0000 Buried
65 S C -0.5285 Soluble
66 S C -0.7040 Soluble
67 R C -1.0883 Soluble
68 A C -0.5256 Soluble
69 T C -0.5212 Soluble
70 G C -0.7517 Soluble
71 I C -0.7499 Soluble
72 P C -1.2367 Soluble
74 D C -2.3402 Soluble
75 R C -1.9933 Soluble
76 F C 0.0000 Buried
77 S C -0.8991 Soluble
78 G C -0.4601 Soluble
79 S C -0.7551 Soluble
80 G C -1.2900 Soluble
83 S C -1.3396 Soluble
84 G C -1.4900 Soluble
85 T C -1.9581 Soluble
86 D C -2.5805 Soluble
87 F C 0.0000 Buried
88 T C -0.9010 Soluble
89 L C 0.0000 Buried
90 T C -0.8680 Soluble
91 I C 0.0000 Buried
92 S C -2.5444 Soluble
93 R C -3.5088 Soluble
94 L C 0.0000 Buried
95 E C -2.6908 Soluble
96 P C -1.9627 Soluble
97 E C -2.2834 Soluble
98 D C 0.0000 Buried
99 F C -0.7058 Soluble
100 A C 0.0000 Buried
101 V C -0.3611 Soluble
102 Y C 0.0000 Buried
103 Y C 0.0000 Buried
104 C C 0.0000 Buried
105 Q C 0.0000 Buried
106 Q C 0.0000 Buried
107 H C 0.0000 Buried
108 D C -1.2481 Soluble
114 T C -1.0248 Soluble
115 S C -0.9549 Soluble
116 L C -0.6151 Soluble
117 T C -0.3679 Soluble
118 F C -0.0341 Soluble
119 G C -0.3173 Soluble
120 G C -0.8324 Soluble
121 G C -0.8500 Soluble
122 T C 0.0000 Buried
123 K C -0.9112 Soluble
124 V C 0.0000 Buried
125 E C -0.6108 Soluble
126 I C -0.6461 Soluble
127 K C -1.2834 Soluble
128 R C -0.8874 Soluble
129 T C 0.2759 Aggregation-prone
130 V C 1.2126 Aggregation-prone
131 A C 0.3324 Aggregation-prone
132 A C -0.0383 Soluble
133 P C 0.0000 Buried
134 S C -0.2218 Soluble
135 V C 0.1394 Aggregation-prone
136 F C 0.4409 Aggregation-prone
137 I C 0.3285 Aggregation-prone
138 F C 0.0000 Buried
139 P C -0.5334 Soluble
140 P C -0.9126 Soluble
141 S C -2.0104 Soluble
142 D C -2.9914 Soluble
143 E C -2.9258 Soluble
144 Q C -2.1378 Soluble
145 L C -2.3152 Soluble
146 K C -2.8410 Soluble
147 S C -1.8777 Soluble
148 G C -1.1862 Soluble
149 T C -0.9990 Soluble
150 A C 0.0000 Buried
151 S C 0.0000 Buried
152 V C 0.0000 Buried
153 V C 0.0000 Buried
154 C C 0.0000 Buried
155 L C 0.0000 Buried
156 L C 0.0000 Buried
157 N C -0.7113 Soluble
158 N C -1.3420 Soluble
159 F C 0.0000 Buried
160 Y C -0.6640 Soluble
161 P C -1.2125 Soluble
162 R C -1.9559 Soluble
163 E C -2.6989 Soluble
164 A C -2.0463 Soluble
165 K C -2.3619 Soluble
166 V C -1.1718 Soluble
167 Q C -1.0110 Soluble
168 W C -0.8525 Soluble
169 K C -1.0935 Soluble
170 V C -0.9932 Soluble
171 D C -1.6336 Soluble
172 N C -1.5335 Soluble
173 A C -0.5073 Soluble
174 L C 0.3778 Aggregation-prone
175 Q C -1.0839 Soluble
176 S C -1.0010 Soluble
177 G C -1.4140 Soluble
178 N C -1.5368 Soluble
179 S C -1.7652 Soluble
180 Q C -1.8679 Soluble
181 E C -2.0824 Soluble
182 S C -0.8782 Soluble
183 V C -0.6900 Soluble
184 T C -1.0757 Soluble
185 E C -2.2366 Soluble
186 Q C -2.0100 Soluble
187 D C -2.1574 Soluble
188 S C -2.0348 Soluble
189 K C -2.8383 Soluble
190 D C -3.0005 Soluble
191 S C -2.2566 Soluble
192 T C -1.8273 Soluble
193 Y C 0.0000 Buried
194 S C 0.0000 Buried
195 L C 0.0000 Buried
196 S C 0.0000 Buried
197 S C 0.0000 Buried
198 T C -0.8571 Soluble
199 L C 0.0000 Buried
200 T C -0.5228 Soluble
201 L C -0.6394 Soluble
202 S C -1.1514 Soluble
203 K C -2.0975 Soluble
204 A C -1.8161 Soluble
205 D C -2.9236 Soluble
206 Y C 0.0000 Buried
207 E C -2.9988 Soluble
208 K C -3.3981 Soluble
209 H C -2.8940 Soluble
210 K C -2.7114 Soluble
211 V C -1.1285 Soluble
212 Y C 0.0000 Buried
213 A C 0.0000 Buried
214 C C 0.0000 Buried
215 E C -0.7969 Soluble
216 V C 0.0000 Buried
217 T C -1.1513 Soluble
218 H C 0.0000 Buried
219 Q C -1.5695 Soluble
220 G C -0.2822 Soluble
221 L C -0.0994 Soluble
222 S C -0.4303 Soluble
223 S C -0.3450 Soluble
224 P C -0.4738 Soluble
225 V C 0.1225 Aggregation-prone
226 T C -0.3291 Soluble
227 K C -0.4825 Soluble
228 S C -0.5440 Soluble
229 F C -0.8931 Soluble
230 N C -1.8358 Soluble
231 R C -2.4533 Soluble
232 G C -2.1375 Soluble
233 E C -2.6747 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 -0.7284 5.3221 CSV PDB
4.5 -0.7761 5.2479 CSV PDB
5.0 -0.8325 5.148 CSV PDB
5.5 -0.8868 5.0863 CSV PDB
6.0 -0.9269 5.0385 CSV PDB
6.5 -0.9425 5.0024 CSV PDB
7.0 -0.933 4.9821 CSV PDB
7.5 -0.907 4.9735 CSV PDB
8.0 -0.8722 4.9703 CSV PDB
8.5 -0.8311 4.9688 CSV PDB
9.0 -0.7827 4.9671 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH