Sotrovimab / 7xsw

A4DAB245_7xsw_A_B | Source PDB: 7xsw | Chains: A, B | Done
99.57
Yes
10 Å
Yes
Avg A4D Score
-0.7204
Max Score
1.7295
Min Score
-3.8091
Total Score
-317.71
Score CDR
-0.2048
Score non-CDR
-0.7924

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGYPFTSYGISWVRQAPGQGLEWMGWISTYNGNTNYAQKFQGRVTMTTDTSTTTGYMELRRLRSDDTAVYYCARDYTRGAWFGESLIGGFDNWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKEIVLTQSPGTLSLSPGERATLSCRASQTVSSTSLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQHDTSLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE 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 -3.8091
Maximum Score 1.7295
Average Score -0.7204
Total Score -317.7103

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

Index Residue Chain A4D Score Classification
1 Q A -1.4393 Soluble
2 V A -1.1701 Soluble
3 Q A -1.6919 Soluble
4 L A 0.0000 Buried
5 V A -0.4217 Soluble
6 Q A 0.0000 Buried
7 S A -0.7286 Soluble
8 G A -0.6465 Soluble
9 A A -0.1873 Soluble
11 E A -0.5840 Soluble
12 V A -0.0275 Soluble
13 K A -1.3465 Soluble
14 K A -2.5659 Soluble
15 P A -2.6656 Soluble
16 G A -2.3678 Soluble
17 A A -1.7594 Soluble
18 S A -2.0130 Soluble
19 V A 0.0000 Buried
20 K A -1.9467 Soluble
21 V A 0.0000 Buried
22 S A -0.6670 Soluble
23 C A 0.0000 Buried
24 K A -1.3433 Soluble
25 A A 0.0000 Buried
26 S A -0.9995 Soluble
27 G A -1.0132 Soluble
28 Y A -0.4992 Soluble
29 P A -0.2037 Soluble
30 F A 0.0857 Aggregation-prone
35 T A 0.2725 Aggregation-prone
36 S A 0.3573 Aggregation-prone
37 Y A 0.4391 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 -0.4675 Soluble
44 Q A -0.6748 Soluble
45 A A -0.9968 Soluble
46 P A -0.8443 Soluble
47 G A -1.2281 Soluble
48 Q A -1.7575 Soluble
49 G A -1.0989 Soluble
50 L A 0.0000 Buried
51 E A -0.6027 Soluble
52 W A -0.2377 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 0.4537 Aggregation-prone
62 N A -0.8938 Soluble
63 G A -1.2981 Soluble
64 N A -1.4309 Soluble
65 T A -1.0527 Soluble
66 N A -1.0527 Soluble
67 Y A -1.1444 Soluble
68 A A 0.0000 Buried
69 Q A -2.5350 Soluble
70 K A -2.6625 Soluble
71 F A 0.0000 Buried
72 Q A -2.3731 Soluble
74 G A -1.6079 Soluble
75 R A -1.7686 Soluble
76 V A 0.0000 Buried
77 T A -0.6843 Soluble
78 M A 0.0000 Buried
79 T A -0.3508 Soluble
80 T A -0.6600 Soluble
81 D A -0.7438 Soluble
82 T A -0.4384 Soluble
83 S A -0.4518 Soluble
84 T A -0.5853 Soluble
85 T A -0.7028 Soluble
86 T A 0.0000 Buried
87 G A 0.0000 Buried
88 Y A -0.4885 Soluble
89 M A 0.0000 Buried
90 E A -1.1161 Soluble
91 L A 0.0000 Buried
92 R A -2.3661 Soluble
93 R A -3.1159 Soluble
94 L A 0.0000 Buried
95 R A -3.4622 Soluble
96 S A -2.5427 Soluble
97 D A -2.5154 Soluble
98 D A 0.0000 Buried
99 T A -0.8745 Soluble
100 A A 0.0000 Buried
101 V A 0.0985 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 -0.1696 Soluble
107 D A 0.0000 Buried
108 Y A 0.9187 Aggregation-prone
109 T A 0.0000 Buried
110 R A -0.3208 Soluble
111 G A 0.0000 Buried
111A A A 0.0000 Buried
111B W A 1.3246 Aggregation-prone
111C F A 1.5194 Aggregation-prone
112D G A -0.2811 Soluble
112C E A -1.4563 Soluble
112B S A -0.7928 Soluble
112A L A 0.3590 Aggregation-prone
112 I A 1.7295 Aggregation-prone
113 G A 0.0000 Buried
114 G A 0.0000 Buried
115 F A 0.0000 Buried
116 D A -0.6883 Soluble
117 N A -1.2020 Soluble
118 W A 0.0000 Buried
119 G A 0.0000 Buried
120 Q A -1.4626 Soluble
121 G A 0.0000 Buried
122 T A 0.0000 Buried
123 L A 0.1167 Aggregation-prone
124 V A 0.0000 Buried
125 T A 0.0000 Buried
126 V A 0.0000 Buried
127 S A -1.3621 Soluble
128 S A -1.0869 Soluble
129 A A -0.6896 Soluble
130 S A -0.7431 Soluble
131 T A -0.7602 Soluble
132 K A -1.2209 Soluble
133 G A -1.4062 Soluble
134 P A 0.0000 Buried
135 S A -0.4862 Soluble
136 V A 0.0000 Buried
137 F A 0.0000 Buried
138 P A -1.2375 Soluble
139 L A 0.0000 Buried
140 A A -1.2411 Soluble
141 P A 0.0000 Buried
142 S A -0.8952 Soluble
143 S A -0.8548 Soluble
144 K A -0.9220 Soluble
145 S A 0.0000 Buried
146 T A -0.6925 Soluble
147 S A -0.7846 Soluble
148 G A -0.8083 Soluble
149 G A -0.7943 Soluble
150 T A -0.5709 Soluble
151 A A 0.0000 Buried
152 A A 0.0000 Buried
153 L A 0.0000 Buried
154 G A 0.0000 Buried
155 C A 0.0000 Buried
156 L A 0.0000 Buried
157 V A 0.0000 Buried
158 K A 0.0000 Buried
159 D A -0.4758 Soluble
160 Y A 0.0000 Buried
161 F A 0.0000 Buried
162 P A -0.5930 Soluble
163 E A -0.6418 Soluble
164 P A -0.7721 Soluble
165 V A -0.6600 Soluble
166 T A -0.5387 Soluble
167 V A -0.1054 Soluble
168 S A -0.1645 Soluble
169 W A 0.0000 Buried
170 N A -0.7495 Soluble
171 S A -0.6669 Soluble
172 G A -0.5937 Soluble
173 A A -0.2584 Soluble
174 L A 0.0133 Aggregation-prone
175 T A -0.1462 Soluble
176 S A -0.3549 Soluble
177 G A -0.1751 Soluble
178 V A 0.1483 Aggregation-prone
179 H A -0.3384 Soluble
180 T A -0.0211 Soluble
181 F A 0.0000 Buried
182 P A -0.3660 Soluble
183 A A 0.0667 Aggregation-prone
184 V A 0.4394 Aggregation-prone
185 L A 1.2599 Aggregation-prone
186 Q A 0.2756 Aggregation-prone
187 S A -0.0673 Soluble
188 S A -0.1963 Soluble
189 G A 0.0752 Aggregation-prone
190 L A 0.0806 Aggregation-prone
191 Y A 0.0000 Buried
192 S A 0.0000 Buried
193 L A 0.0000 Buried
194 S A 0.0000 Buried
195 S A 0.0000 Buried
196 V A 0.0000 Buried
197 V A 0.0000 Buried
198 T A -0.1263 Soluble
199 V A 0.0000 Buried
200 P A -0.5266 Soluble
201 S A -0.5542 Soluble
202 S A -0.5669 Soluble
203 S A -0.5860 Soluble
204 L A -0.7434 Soluble
205 G A -1.0091 Soluble
206 T A -0.7481 Soluble
207 Q A -1.2392 Soluble
208 T A -1.2623 Soluble
209 Y A 0.0000 Buried
210 I A -1.3377 Soluble
211 C A 0.0000 Buried
212 N A -1.4679 Soluble
213 V A 0.0000 Buried
214 N A 0.0000 Buried
215 H A 0.0000 Buried
216 K A -2.6095 Soluble
217 P A -1.6142 Soluble
218 S A -1.8196 Soluble
219 N A -2.3077 Soluble
220 T A -2.0120 Soluble
221 K A -2.5762 Soluble
222 V A -1.5512 Soluble
223 D A -2.6238 Soluble
224 K A -2.2567 Soluble
225 R A -2.7776 Soluble
226 V A 0.0000 Buried
227 E A -2.9271 Soluble
228 P A -2.1597 Soluble
229 K A -2.2740 Soluble
1 E B -1.6526 Soluble
2 I B 0.0000 Buried
3 V B 0.4457 Aggregation-prone
4 L B 0.0000 Buried
5 T B -0.7570 Soluble
6 Q B -1.0813 Soluble
7 S B -0.8800 Soluble
8 P B -0.5602 Soluble
9 G B -0.7661 Soluble
10 T B -0.3818 Soluble
11 L B -0.1904 Soluble
12 S B -0.6558 Soluble
13 L B -1.0740 Soluble
14 S B -1.4254 Soluble
15 P B -1.8756 Soluble
16 G B -2.1708 Soluble
17 E B -2.9006 Soluble
18 R B -3.3223 Soluble
19 A B 0.0000 Buried
20 T B -0.5488 Soluble
21 L B 0.0000 Buried
22 S B -1.0499 Soluble
23 C B 0.0000 Buried
24 R B -2.4440 Soluble
25 A B -1.3492 Soluble
26 S B -1.1852 Soluble
27 Q B -1.7149 Soluble
28 T B -1.1006 Soluble
29 V B 0.0000 Buried
30 S B -0.6832 Soluble
36 S B -0.2880 Soluble
37 T B 0.2165 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 0.0000 Buried
45 K B -1.4400 Soluble
46 P B -1.2518 Soluble
47 G B -1.4182 Soluble
48 Q B -2.0441 Soluble
49 A B -1.4687 Soluble
50 P B 0.0000 Buried
51 R B -1.5998 Soluble
52 L B -0.6958 Soluble
53 L B 0.0000 Buried
54 I B 0.0000 Buried
55 Y B 0.5124 Aggregation-prone
56 G B 0.3279 Aggregation-prone
57 A B 0.0000 Buried
65 S B -0.5158 Soluble
66 S B -0.3405 Soluble
67 R B -0.9635 Soluble
68 A B -0.5334 Soluble
69 T B -0.4176 Soluble
70 G B -0.8189 Soluble
71 I B -0.8262 Soluble
72 P B -1.1986 Soluble
74 D B -2.3022 Soluble
75 R B -1.9598 Soluble
76 F B 0.0000 Buried
77 S B -0.7857 Soluble
78 G B -0.3959 Soluble
79 S B -0.6827 Soluble
80 G B -1.0643 Soluble
83 S B -1.0091 Soluble
84 G B -1.2574 Soluble
85 T B -1.9213 Soluble
86 D B -2.7017 Soluble
87 F B 0.0000 Buried
88 T B -0.9201 Soluble
89 L B 0.0000 Buried
90 T B -0.7713 Soluble
91 I B 0.0000 Buried
92 S B -2.3450 Soluble
93 R B -3.4297 Soluble
94 L B 0.0000 Buried
95 E B -2.2054 Soluble
96 P B -1.3795 Soluble
97 E B -2.0417 Soluble
98 D B 0.0000 Buried
99 F B -0.5886 Soluble
100 A B 0.0000 Buried
101 V B 0.0013 Aggregation-prone
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 -1.3048 Soluble
114 T B -1.0241 Soluble
115 S B -0.9073 Soluble
116 L B -0.2111 Soluble
117 T B -0.0089 Soluble
118 F B 0.2829 Aggregation-prone
119 G B 0.0000 Buried
120 G B -0.7082 Soluble
121 G B -0.6272 Soluble
122 T B 0.0000 Buried
123 K B -0.4585 Soluble
124 V B 0.0000 Buried
125 E B 0.0000 Buried
126 I B -1.0487 Soluble
127 K B -1.7805 Soluble
128 R B -1.9887 Soluble
129 T B -0.5135 Soluble
130 V B 0.1369 Aggregation-prone
131 A B 0.0455 Aggregation-prone
132 A B -0.1143 Soluble
133 P B 0.0000 Buried
134 S B -0.2623 Soluble
135 V B 0.0000 Buried
136 F B 0.0000 Buried
137 I B 0.0000 Buried
138 F B 0.0000 Buried
139 P B -0.4965 Soluble
140 P B 0.0000 Buried
141 S B -1.5998 Soluble
142 D B -3.0014 Soluble
143 E B -3.1515 Soluble
144 Q B 0.0000 Buried
145 L B -2.0567 Soluble
146 K B -2.9376 Soluble
147 S B -1.8153 Soluble
148 G B -1.2676 Soluble
149 T B -1.0346 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 -1.1137 Soluble
159 F B 0.0000 Buried
160 Y B 0.0000 Buried
161 P B -1.8630 Soluble
162 R B -2.9476 Soluble
163 E B -3.1656 Soluble
164 A B -2.2476 Soluble
165 K B -2.2593 Soluble
166 V B -0.9406 Soluble
167 Q B -0.4948 Soluble
168 W B 0.0000 Buried
169 K B -0.5825 Soluble
170 V B 0.0000 Buried
171 D B -1.4707 Soluble
172 N B -1.2268 Soluble
173 A B -0.1671 Soluble
174 L B 0.7746 Aggregation-prone
175 Q B -0.1772 Soluble
176 S B -0.4512 Soluble
177 G B -0.7591 Soluble
178 N B -0.9150 Soluble
179 S B -1.1252 Soluble
180 Q B -1.3692 Soluble
181 E B -1.9331 Soluble
182 S B -0.8594 Soluble
183 V B -0.7893 Soluble
184 T B -1.1389 Soluble
185 E B -2.2733 Soluble
186 Q B -2.0836 Soluble
187 D B -2.3705 Soluble
188 S B -2.1086 Soluble
189 K B -2.9017 Soluble
190 D B -3.1019 Soluble
191 S B -2.4943 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 0.0000 Buried
199 L B 0.0000 Buried
200 T B -0.3503 Soluble
201 L B -0.7558 Soluble
202 S B -1.3573 Soluble
203 K B -2.2236 Soluble
204 A B -2.0185 Soluble
205 D B -2.7949 Soluble
206 Y B 0.0000 Buried
207 E B -3.8091 Soluble
208 K B -3.6527 Soluble
209 H B -2.9211 Soluble
210 K B -2.8569 Soluble
211 V B -1.3578 Soluble
212 Y B 0.0000 Buried
213 A B 0.0000 Buried
214 C B 0.0000 Buried
215 E B -0.6664 Soluble
216 V B 0.0000 Buried
217 T B -1.0851 Soluble
218 H B 0.0000 Buried
219 Q B -1.7475 Soluble
220 G B -0.4429 Soluble
221 L B -0.2482 Soluble
222 S B -0.4531 Soluble
223 S B -0.3674 Soluble
224 P B -0.4159 Soluble
225 V B 0.1979 Aggregation-prone
226 T B -0.1701 Soluble
227 K B -0.3632 Soluble
228 S B -0.3250 Soluble
229 F B -0.9601 Soluble
230 N B -1.8354 Soluble
231 R B -2.4715 Soluble
232 G B -2.0624 Soluble
233 E B -2.3652 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 -0.7084 4.8937 CSV PDB
4.5 -0.7517 4.8096 CSV PDB
5.0 -0.8024 4.697 CSV PDB
5.5 -0.8508 4.5748 CSV PDB
6.0 -0.8866 4.4618 CSV PDB
6.5 -0.9014 4.377 CSV PDB
7.0 -0.8949 4.3295 CSV PDB
7.5 -0.874 4.3095 CSV PDB
8.0 -0.8449 4.3024 CSV PDB
8.5 -0.8099 4.3 CSV PDB
9.0 -0.7687 4.2991 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH