Sotrovimab / 6ws6

A4DAB245_6ws6_E_F | Source PDB: 6ws6 | Chains: E, F | Done
99.57
Yes
10 Å
Yes
Avg A4D Score
-0.706
Max Score
2.0858
Min Score
-3.6419
Total Score
-312.03
Score CDR
-0.1334
Score non-CDR
-0.7856

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGYPFTSYGISWVRQAPGQGLEWMGWISTYNGNTNYAQKFQGRVTMTTDTSTTTGYMELRRLRSDDTAVYYCARDYTRGAWFGESLIGGFDNWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSEIVLTQSPGTLSLSPGERATLSCRASQTVSSTSLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQHDTSLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input.pdb
Selected Chain(s) E (Heavy), F (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 -3.6419
Maximum Score 2.0858
Average Score -0.706
Total Score -312.0329

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

Index Residue Chain A4D Score Classification
1 Q E -1.5113 Soluble
2 V E -1.1473 Soluble
3 Q E -1.2825 Soluble
4 L E 0.0000 Buried
5 V E 0.7892 Aggregation-prone
6 Q E 0.0000 Buried
7 S E -0.4839 Soluble
8 G E -0.6048 Soluble
9 A E -0.4449 Soluble
11 E E -0.9960 Soluble
12 V E -0.3059 Soluble
13 K E -1.3801 Soluble
14 K E -2.2243 Soluble
15 P E -2.4007 Soluble
16 G E -2.1120 Soluble
17 A E -1.6243 Soluble
18 S E -1.8833 Soluble
19 V E 0.0000 Buried
20 K E -2.0830 Soluble
21 V E 0.0000 Buried
22 S E -0.3754 Soluble
23 C E 0.0000 Buried
24 K E -0.5475 Soluble
25 A E 0.0000 Buried
26 S E -0.8150 Soluble
27 G E -1.0895 Soluble
28 Y E -0.5195 Soluble
29 P E -0.2471 Soluble
30 F E 0.0000 Buried
35 T E 0.2454 Aggregation-prone
36 S E 0.5450 Aggregation-prone
37 Y E 0.5841 Aggregation-prone
38 G E 0.0000 Buried
39 I E 0.0000 Buried
40 S E 0.0000 Buried
41 W E 0.0000 Buried
42 V E 0.0000 Buried
43 R E 0.0000 Buried
44 Q E -0.5795 Soluble
45 A E -0.9829 Soluble
46 P E -0.8120 Soluble
47 G E -1.2453 Soluble
48 Q E -1.7245 Soluble
49 G E -1.0576 Soluble
50 L E 0.0000 Buried
51 E E -0.6444 Soluble
52 W E 0.0000 Buried
53 M E 0.0000 Buried
54 G E 0.0000 Buried
55 W E 0.0000 Buried
56 I E 0.0000 Buried
57 S E 0.0000 Buried
58 T E 0.0000 Buried
59 Y E 0.7555 Aggregation-prone
62 N E -0.8597 Soluble
63 G E -1.4266 Soluble
64 N E -1.7001 Soluble
65 T E -1.5328 Soluble
66 N E -1.8780 Soluble
67 Y E -1.3927 Soluble
68 A E 0.0000 Buried
69 Q E -2.7961 Soluble
70 K E -2.6948 Soluble
71 F E 0.0000 Buried
72 Q E -2.5096 Soluble
74 G E -1.8668 Soluble
75 R E -1.8659 Soluble
76 V E 0.0000 Buried
77 T E -0.8834 Soluble
78 M E 0.0000 Buried
79 T E -0.4354 Soluble
80 T E -0.4221 Soluble
81 D E -0.8530 Soluble
82 T E -0.3808 Soluble
83 S E -0.5051 Soluble
84 T E -0.5930 Soluble
85 T E -0.6165 Soluble
86 T E 0.0000 Buried
87 G E 0.0000 Buried
88 Y E -0.4287 Soluble
89 M E 0.0000 Buried
90 E E -1.4162 Soluble
91 L E 0.0000 Buried
92 R E -2.3600 Soluble
93 R E -2.9699 Soluble
94 L E 0.0000 Buried
95 R E -3.4319 Soluble
96 S E -2.3396 Soluble
97 D E -2.4706 Soluble
98 D E 0.0000 Buried
99 T E -0.8879 Soluble
100 A E 0.0000 Buried
101 V E 0.2390 Aggregation-prone
102 Y E 0.0000 Buried
103 Y E 0.0000 Buried
104 C E 0.0000 Buried
105 A E 0.0000 Buried
106 R E -0.1979 Soluble
107 D E 0.0000 Buried
108 Y E 1.0764 Aggregation-prone
109 T E 0.0000 Buried
110 R E 0.1235 Aggregation-prone
111 G E 0.0000 Buried
111A A E 0.0000 Buried
111B W E 1.3418 Aggregation-prone
111C F E 1.6018 Aggregation-prone
112D G E -0.2936 Soluble
112C E E -0.2757 Soluble
112B S E -0.0660 Soluble
112A L E 0.9350 Aggregation-prone
112 I E 2.0858 Aggregation-prone
113 G E 0.0000 Buried
114 G E 0.0000 Buried
115 F E 0.0000 Buried
116 D E -0.5325 Soluble
117 N E -0.6946 Soluble
118 W E -0.6129 Soluble
119 G E 0.0000 Buried
120 Q E -1.1352 Soluble
121 G E -0.4002 Soluble
122 T E 0.0000 Buried
123 L E -0.0455 Soluble
124 V E 0.0000 Buried
125 T E 0.0000 Buried
126 V E 0.0000 Buried
127 S E -1.2849 Soluble
128 S E -1.0660 Soluble
129 A E -0.5783 Soluble
130 S E -0.6466 Soluble
131 T E -0.5505 Soluble
132 K E -1.1292 Soluble
133 G E -1.3709 Soluble
134 P E 0.0000 Buried
135 S E -0.4218 Soluble
136 V E 0.0000 Buried
137 F E 0.0000 Buried
138 P E -1.1290 Soluble
139 L E 0.0000 Buried
140 A E -1.1182 Soluble
141 P E 0.0000 Buried
142 S E -0.9577 Soluble
143 S E -0.7153 Soluble
144 K E -0.7835 Soluble
145 S E 0.0000 Buried
146 T E -0.6346 Soluble
147 S E -0.7161 Soluble
148 G E -0.8447 Soluble
149 G E -0.9049 Soluble
150 T E -0.6236 Soluble
151 A E 0.0000 Buried
152 A E 0.0000 Buried
153 L E 0.0000 Buried
154 G E 0.0000 Buried
155 C E 0.0000 Buried
156 L E 0.0000 Buried
157 V E 0.0000 Buried
158 K E 0.0000 Buried
159 D E -0.3178 Soluble
160 Y E 0.0000 Buried
161 F E 0.0000 Buried
162 P E 0.0000 Buried
163 E E -0.5459 Soluble
164 P E -0.7785 Soluble
165 V E -0.8177 Soluble
166 T E -0.7179 Soluble
167 V E -0.4911 Soluble
168 S E -0.4707 Soluble
169 W E 0.0000 Buried
170 N E -0.6843 Soluble
171 S E -0.6602 Soluble
172 G E -0.5462 Soluble
173 A E -0.2480 Soluble
174 L E -0.0312 Soluble
175 T E -0.1902 Soluble
176 S E -0.2026 Soluble
177 G E -0.2236 Soluble
178 V E 0.1266 Aggregation-prone
179 H E -0.3226 Soluble
180 T E -0.0104 Soluble
181 F E 0.0000 Buried
182 P E -0.3226 Soluble
183 A E 0.1125 Aggregation-prone
184 V E 0.4188 Aggregation-prone
185 L E 1.3549 Aggregation-prone
186 Q E 0.1789 Aggregation-prone
187 S E -0.1271 Soluble
188 S E -0.1414 Soluble
189 G E 0.0872 Aggregation-prone
190 L E 0.1692 Aggregation-prone
191 Y E 0.4577 Aggregation-prone
192 S E 0.0000 Buried
193 L E 0.0000 Buried
194 S E 0.0000 Buried
195 S E 0.0000 Buried
196 V E 0.0000 Buried
197 V E 0.0000 Buried
198 T E -0.1680 Soluble
199 V E 0.0000 Buried
200 P E -0.6560 Soluble
201 S E -0.5877 Soluble
202 S E -0.6013 Soluble
203 S E -0.6085 Soluble
204 L E -0.7611 Soluble
205 G E -0.9649 Soluble
206 T E -0.7264 Soluble
207 Q E -1.2141 Soluble
208 T E -1.0505 Soluble
209 Y E 0.0000 Buried
210 I E -1.1227 Soluble
211 C E 0.0000 Buried
212 N E -1.6485 Soluble
213 V E 0.0000 Buried
214 N E -2.3465 Soluble
215 H E 0.0000 Buried
216 K E -2.8107 Soluble
217 P E -1.6313 Soluble
218 S E -1.8596 Soluble
219 N E -2.5966 Soluble
220 T E -2.1638 Soluble
221 K E -2.9354 Soluble
222 V E -1.9711 Soluble
223 D E -2.6826 Soluble
224 K E -2.2361 Soluble
225 K E -2.2623 Soluble
226 V E 0.0000 Buried
227 E E -2.6683 Soluble
228 P E -1.8622 Soluble
229 K E -2.1567 Soluble
230 S E -1.3619 Soluble
1 E F -1.7326 Soluble
2 I F 0.0000 Buried
3 V F 0.6023 Aggregation-prone
4 L F 0.0000 Buried
5 T F -0.6612 Soluble
6 Q F 0.0000 Buried
7 S F -0.8695 Soluble
8 P F -0.6205 Soluble
9 G F -0.7972 Soluble
10 T F -0.4334 Soluble
11 L F -0.2131 Soluble
12 S F -0.5137 Soluble
13 L F -1.0241 Soluble
14 S F -1.6411 Soluble
15 P F -2.0275 Soluble
16 G F -2.4192 Soluble
17 E F -2.9510 Soluble
18 R F -3.1482 Soluble
19 A F 0.0000 Buried
20 T F -0.6470 Soluble
21 L F 0.0000 Buried
22 S F -0.9758 Soluble
23 C F 0.0000 Buried
24 R F -2.4356 Soluble
25 A F 0.0000 Buried
26 S F -1.1111 Soluble
27 Q F -1.6779 Soluble
28 T F -1.2999 Soluble
29 V F 0.0000 Buried
30 S F -0.6208 Soluble
36 S F -0.3400 Soluble
37 T F 0.3414 Aggregation-prone
38 S F 0.0000 Buried
39 L F 0.0000 Buried
40 A F 0.0000 Buried
41 W F 0.0000 Buried
42 Y F 0.0000 Buried
43 Q F 0.0000 Buried
44 Q F 0.0000 Buried
45 K F -1.3172 Soluble
46 P F -1.3882 Soluble
47 G F -1.3958 Soluble
48 Q F -1.9180 Soluble
49 A F -1.2511 Soluble
50 P F 0.0000 Buried
51 R F -1.0762 Soluble
52 L F 0.0000 Buried
53 L F 0.0000 Buried
54 I F 0.0000 Buried
55 Y F 0.3582 Aggregation-prone
56 G F 0.3712 Aggregation-prone
57 A F 0.0000 Buried
65 S F -0.6306 Soluble
66 S F -0.4776 Soluble
67 R F -1.5065 Soluble
68 A F -0.7666 Soluble
69 T F -0.5669 Soluble
70 G F -0.7969 Soluble
71 I F -0.9244 Soluble
72 P F -1.2437 Soluble
74 D F -2.1796 Soluble
75 R F -2.0178 Soluble
76 F F 0.0000 Buried
77 S F -0.9033 Soluble
78 G F -0.5060 Soluble
79 S F -0.6793 Soluble
80 G F -1.0803 Soluble
83 S F -1.0070 Soluble
84 G F -1.1217 Soluble
85 T F -1.7616 Soluble
86 D F -2.1936 Soluble
87 F F 0.0000 Buried
88 T F -0.8096 Soluble
89 L F 0.0000 Buried
90 T F -0.7988 Soluble
91 I F 0.0000 Buried
92 S F -2.3578 Soluble
93 R F -3.2861 Soluble
94 L F 0.0000 Buried
95 E F -2.1638 Soluble
96 P F -1.6883 Soluble
97 E F -2.1874 Soluble
98 D F 0.0000 Buried
99 F F -0.5865 Soluble
100 A F 0.0000 Buried
101 V F -0.1317 Soluble
102 Y F 0.0000 Buried
103 Y F 0.0000 Buried
104 C F 0.0000 Buried
105 Q F 0.0000 Buried
106 Q F 0.0000 Buried
107 H F 0.0000 Buried
108 D F -1.1213 Soluble
114 T F -1.0209 Soluble
115 S F -0.9476 Soluble
116 L F 0.0000 Buried
117 T F -0.1167 Soluble
118 F F 0.2432 Aggregation-prone
119 G F 0.0000 Buried
120 G F -0.6675 Soluble
121 G F -0.6703 Soluble
122 T F 0.0000 Buried
123 K F -0.5955 Soluble
124 V F 0.0000 Buried
125 E F 0.0000 Buried
126 I F -0.8015 Soluble
127 K F -1.4832 Soluble
128 R F -1.1082 Soluble
129 T F -0.0774 Soluble
130 V F 0.4702 Aggregation-prone
131 A F 0.0053 Aggregation-prone
132 A F -0.0514 Soluble
133 P F 0.0000 Buried
134 S F -0.1571 Soluble
135 V F 0.0000 Buried
136 F F 0.0000 Buried
137 I F 0.0000 Buried
138 F F 0.0000 Buried
139 P F -0.8736 Soluble
140 P F 0.0000 Buried
141 S F 0.0000 Buried
142 D F -2.9139 Soluble
143 E F -2.9413 Soluble
144 Q F 0.0000 Buried
145 L F -2.2117 Soluble
146 K F -2.8387 Soluble
147 S F -1.7938 Soluble
148 G F -1.2214 Soluble
149 T F -1.0197 Soluble
150 A F 0.0000 Buried
151 S F 0.0000 Buried
152 V F 0.0000 Buried
153 V F 0.0000 Buried
154 C F 0.0000 Buried
155 L F 0.0000 Buried
156 L F 0.0000 Buried
157 N F -0.3348 Soluble
158 N F -0.7958 Soluble
159 F F 0.0000 Buried
160 Y F 0.0000 Buried
161 P F -1.6451 Soluble
162 R F -2.8475 Soluble
163 E F -3.1046 Soluble
164 A F -2.3144 Soluble
165 K F -2.4814 Soluble
166 V F -1.2034 Soluble
167 Q F -0.8693 Soluble
168 W F 0.0000 Buried
169 K F -0.8303 Soluble
170 V F 0.0000 Buried
171 D F -1.8845 Soluble
172 N F -1.4286 Soluble
173 A F -0.4600 Soluble
174 L F 0.2704 Aggregation-prone
175 Q F -0.6063 Soluble
176 S F -0.8800 Soluble
177 G F -1.3423 Soluble
178 N F -1.7376 Soluble
179 S F -1.6583 Soluble
180 Q F -1.7329 Soluble
181 E F -1.8142 Soluble
182 S F -0.9515 Soluble
183 V F -0.9436 Soluble
184 T F -1.1552 Soluble
185 E F -2.2729 Soluble
186 Q F -1.8918 Soluble
187 D F -1.9463 Soluble
188 S F -1.9501 Soluble
189 K F -2.2902 Soluble
190 D F -1.7768 Soluble
191 S F -1.7450 Soluble
192 T F 0.0000 Buried
193 Y F 0.0000 Buried
194 S F 0.0000 Buried
195 L F 0.0000 Buried
196 S F 0.0000 Buried
197 S F 0.0000 Buried
198 T F -0.8166 Soluble
199 L F 0.0000 Buried
200 T F -0.6921 Soluble
201 L F -0.8345 Soluble
202 S F -1.0900 Soluble
203 K F -2.0863 Soluble
204 A F -1.8736 Soluble
205 D F -2.5977 Soluble
206 Y F 0.0000 Buried
207 E F -3.5434 Soluble
208 K F -3.6419 Soluble
209 H F -3.0050 Soluble
210 K F -2.9632 Soluble
211 V F -1.4016 Soluble
212 Y F 0.0000 Buried
213 A F 0.0000 Buried
214 C F 0.0000 Buried
215 E F -0.9188 Soluble
216 V F 0.0000 Buried
217 T F -1.2142 Soluble
218 H F 0.0000 Buried
219 Q F -1.6930 Soluble
220 G F -0.3886 Soluble
221 L F -0.2339 Soluble
222 S F -0.4583 Soluble
223 S F -0.3817 Soluble
224 P F -0.4785 Soluble
225 V F 0.0982 Aggregation-prone
226 T F -0.4410 Soluble
227 K F -0.7547 Soluble
228 S F -0.7017 Soluble
229 F F 0.0000 Buried
230 N F -2.0464 Soluble
231 R F -2.6889 Soluble
232 G F -2.2423 Soluble
233 E F -2.5496 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
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 -0.7016 4.8917 CSV PDB
4.5 -0.7446 4.8356 CSV PDB
5.0 -0.7942 4.7681 CSV PDB
5.5 -0.8414 4.7002 CSV PDB
6.0 -0.8755 4.6425 CSV PDB
6.5 -0.8875 4.6043 CSV PDB
7.0 -0.8767 4.5858 CSV PDB
7.5 -0.8506 4.5786 CSV PDB
8.0 -0.8159 4.5762 CSV PDB
8.5 -0.7746 4.5753 CSV PDB
9.0 -0.7272 4.5748 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH