Sotrovimab / 7jx3

A4DAB245_7jx3_A_B | Source PDB: 7jx3 | Chains: A, B | Done
99.57
Yes
10 Å
Yes
Avg A4D Score
-0.656
Max Score
2.1626
Min Score
-3.4864
Total Score
-286.69
Score CDR
-0.1806
Score non-CDR
-0.7231

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGYPFTSYGISWVRQAPGQGLEWMGWISTYNGNTNYAQKFQGRVTMTTDTSTTTGYMELRRLRSDDTAVYYCARDYTRGAWFGESLIGGFDNWGQGTLVTVSSASTKGPSVFPLAPSSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKEIVLTQSPGTLSLSPGERATLSCRASQTVSSTSLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQHDTSLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE 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 -3.4864
Maximum Score 2.1626
Average Score -0.656
Total Score -286.6922

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

Index Residue Chain A4D Score Classification
1 Q A -1.2291 Soluble
2 V A -0.6068 Soluble
3 Q A -0.9695 Soluble
4 L A 0.0000 Buried
5 V A 0.2961 Aggregation-prone
6 Q A 0.0000 Buried
7 S A -0.5333 Soluble
8 G A -0.5442 Soluble
9 A A 0.1046 Aggregation-prone
11 E A -0.3302 Soluble
12 V A 0.9932 Aggregation-prone
13 K A -0.7954 Soluble
14 K A -1.9763 Soluble
15 P A -2.3891 Soluble
16 G A -2.2665 Soluble
17 A A -1.7872 Soluble
18 S A -1.9058 Soluble
19 V A 0.0000 Buried
20 K A -2.0078 Soluble
21 V A 0.0000 Buried
22 S A -0.4118 Soluble
23 C A 0.0000 Buried
24 K A -0.5029 Soluble
25 A A 0.0000 Buried
26 S A -0.5512 Soluble
27 G A -0.7013 Soluble
28 Y A -0.3082 Soluble
29 P A -0.1959 Soluble
30 F A 0.0000 Buried
35 T A 0.2056 Aggregation-prone
36 S A 0.3637 Aggregation-prone
37 Y A 0.4726 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 0.0000 Buried
44 Q A -0.4196 Soluble
45 A A -0.8263 Soluble
46 P A -0.7001 Soluble
47 G A -1.2097 Soluble
48 Q A -1.7202 Soluble
49 G A -1.0749 Soluble
50 L A 0.0000 Buried
51 E A -0.7758 Soluble
52 W A -0.2617 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 0.3245 Aggregation-prone
62 N A -1.0060 Soluble
63 G A -1.3835 Soluble
64 N A -1.5595 Soluble
65 T A -1.1810 Soluble
66 N A -1.1607 Soluble
67 Y A -1.0165 Soluble
68 A A -1.4135 Soluble
69 Q A -2.4298 Soluble
70 K A -2.6545 Soluble
71 F A 0.0000 Buried
72 Q A -2.2621 Soluble
74 G A -1.7783 Soluble
75 R A -1.7956 Soluble
76 V A 0.0000 Buried
77 T A -0.7222 Soluble
78 M A 0.0000 Buried
79 T A -0.3796 Soluble
80 T A -0.6464 Soluble
81 D A -0.7689 Soluble
82 T A -0.3888 Soluble
83 S A -0.4787 Soluble
84 T A -0.5218 Soluble
85 T A -0.5707 Soluble
86 T A 0.0000 Buried
87 G A 0.0000 Buried
88 Y A -0.3320 Soluble
89 M A 0.0000 Buried
90 E A -1.2161 Soluble
91 L A 0.0000 Buried
92 R A -2.4264 Soluble
93 R A -3.0913 Soluble
94 L A 0.0000 Buried
95 R A -3.4864 Soluble
96 S A -2.2431 Soluble
97 D A -2.4480 Soluble
98 D A 0.0000 Buried
99 T A -0.6343 Soluble
100 A A 0.0000 Buried
101 V A 0.5975 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 -0.2740 Soluble
107 D A 0.0000 Buried
108 Y A 0.8570 Aggregation-prone
109 T A 0.0000 Buried
110 R A -0.2734 Soluble
111 G A 0.0000 Buried
111A A A 0.0000 Buried
111B W A 1.4683 Aggregation-prone
111C F A 1.5711 Aggregation-prone
112D G A -0.3688 Soluble
112C E A -1.3394 Soluble
112B S A -0.6526 Soluble
112A L A 0.5346 Aggregation-prone
112 I A 2.1626 Aggregation-prone
113 G A 0.0000 Buried
114 G A 0.0000 Buried
115 F A 0.0000 Buried
116 D A -0.6734 Soluble
117 N A -0.7248 Soluble
118 W A 0.0000 Buried
119 G A 0.0000 Buried
120 Q A -1.1767 Soluble
121 G A -0.3743 Soluble
122 T A 0.0000 Buried
123 L A 0.8480 Aggregation-prone
124 V A 0.0000 Buried
125 T A -0.2117 Soluble
126 V A 0.0000 Buried
127 S A -1.0596 Soluble
128 S A -1.0583 Soluble
129 A A -0.6057 Soluble
130 S A -0.6309 Soluble
131 T A -0.6203 Soluble
132 K A -1.0493 Soluble
133 G A -1.2277 Soluble
134 P A 0.0000 Buried
135 S A -0.1796 Soluble
136 V A -0.0327 Soluble
137 F A -0.4858 Soluble
138 P A -0.9219 Soluble
139 L A 0.0000 Buried
140 A A -1.1155 Soluble
141 P A 0.0000 Buried
142 S A -0.9129 Soluble
143 S A -0.4132 Soluble
144 G A -0.8451 Soluble
145 G A -0.8402 Soluble
146 T A -0.5794 Soluble
147 A A -0.3540 Soluble
148 A A 0.0000 Buried
149 L A 0.0000 Buried
150 G A 0.0000 Buried
151 C A 0.0000 Buried
152 L A 0.0000 Buried
153 V A 0.0000 Buried
154 K A 0.0000 Buried
155 D A -0.2352 Soluble
156 Y A 0.0000 Buried
157 F A 0.0000 Buried
158 P A -0.3588 Soluble
159 E A -0.8033 Soluble
160 P A -0.9810 Soluble
161 V A -0.7669 Soluble
162 T A -0.6547 Soluble
163 V A -0.2896 Soluble
164 S A -0.3556 Soluble
165 W A 0.0000 Buried
166 N A -0.6513 Soluble
167 S A -0.6008 Soluble
168 G A -0.5782 Soluble
169 A A -0.2476 Soluble
170 L A -0.0364 Soluble
171 T A -0.1794 Soluble
172 S A -0.3651 Soluble
173 G A -0.2369 Soluble
174 V A 0.1471 Aggregation-prone
175 H A 0.0000 Buried
176 T A 0.0613 Aggregation-prone
177 F A 0.0000 Buried
178 P A -0.2832 Soluble
179 A A 0.3005 Aggregation-prone
180 V A 0.6906 Aggregation-prone
181 L A 1.2715 Aggregation-prone
182 Q A 0.2974 Aggregation-prone
183 S A -0.0327 Soluble
184 S A -0.1855 Soluble
185 G A 0.0424 Aggregation-prone
186 L A 0.1516 Aggregation-prone
187 Y A 0.4895 Aggregation-prone
188 S A 0.0000 Buried
189 L A 0.3883 Aggregation-prone
190 S A 0.0000 Buried
191 S A 0.0000 Buried
192 V A 0.0000 Buried
193 V A 0.0000 Buried
194 T A -0.2014 Soluble
195 V A 0.0000 Buried
196 P A -0.6547 Soluble
197 S A -0.7732 Soluble
198 S A -0.6907 Soluble
199 S A -0.7249 Soluble
200 L A -0.9726 Soluble
201 G A -1.1388 Soluble
202 T A -1.0631 Soluble
203 Q A -1.6184 Soluble
204 T A -1.2748 Soluble
205 Y A 0.0000 Buried
206 I A -1.0467 Soluble
207 C A 0.0000 Buried
208 N A -1.1120 Soluble
209 V A 0.0000 Buried
210 N A -1.8702 Soluble
211 H A 0.0000 Buried
212 K A -2.7256 Soluble
213 P A -1.6124 Soluble
214 S A -1.7419 Soluble
215 N A -2.5610 Soluble
216 T A -1.9709 Soluble
217 K A -2.4369 Soluble
218 V A -1.0116 Soluble
219 D A -1.6006 Soluble
220 K A -1.5528 Soluble
221 K A -2.1670 Soluble
222 V A 0.0000 Buried
223 E A -2.8920 Soluble
224 P A -1.9997 Soluble
225 K A -2.4313 Soluble
1 E B -1.6959 Soluble
2 I B 0.0000 Buried
3 V B 0.4940 Aggregation-prone
4 L B 0.0000 Buried
5 T B -0.5641 Soluble
6 Q B 0.0000 Buried
7 S B -0.7169 Soluble
8 P B -0.5673 Soluble
9 G B -0.7517 Soluble
10 T B -0.3951 Soluble
11 L B -0.2690 Soluble
12 S B -0.6293 Soluble
13 L B -1.1040 Soluble
14 S B -1.6894 Soluble
15 P B -1.9574 Soluble
16 G B -2.1971 Soluble
17 E B -3.0589 Soluble
18 R B -3.3160 Soluble
19 A B 0.0000 Buried
20 T B -0.6403 Soluble
21 L B 0.0000 Buried
22 S B -0.7986 Soluble
23 C B 0.0000 Buried
24 R B -1.9366 Soluble
25 A B -1.0173 Soluble
26 S B -0.9699 Soluble
27 Q B -1.7126 Soluble
28 T B -1.2579 Soluble
29 V B 0.0000 Buried
30 S B -0.6549 Soluble
36 S B -0.2673 Soluble
37 T B 0.3559 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 -0.9083 Soluble
45 K B -1.5995 Soluble
46 P B -1.5053 Soluble
47 G B -1.3265 Soluble
48 Q B -2.0230 Soluble
49 A B -1.3002 Soluble
50 P B 0.0000 Buried
51 R B -1.0718 Soluble
52 L B 0.0000 Buried
53 L B 0.0000 Buried
54 I B 0.0000 Buried
55 Y B 0.4989 Aggregation-prone
56 G B 0.4833 Aggregation-prone
57 A B 0.0000 Buried
65 S B -0.5425 Soluble
66 S B -0.2348 Soluble
67 R B -1.1015 Soluble
68 A B -0.6049 Soluble
69 T B -0.5308 Soluble
70 G B -0.8380 Soluble
71 I B 0.0000 Buried
72 P B -1.2768 Soluble
74 D B -2.1596 Soluble
75 R B -2.0712 Soluble
76 F B 0.0000 Buried
77 S B -0.7864 Soluble
78 G B -0.4310 Soluble
79 S B -0.6948 Soluble
80 G B -1.2056 Soluble
83 S B -1.0947 Soluble
84 G B -1.1225 Soluble
85 T B -1.6005 Soluble
86 D B -2.0574 Soluble
87 F B 0.0000 Buried
88 T B -0.7318 Soluble
89 L B 0.0000 Buried
90 T B -0.8170 Soluble
91 I B 0.0000 Buried
92 S B -2.4478 Soluble
93 R B -3.4215 Soluble
94 L B 0.0000 Buried
95 E B -2.5857 Soluble
96 P B -1.7727 Soluble
97 E B -2.3695 Soluble
98 D B 0.0000 Buried
99 F B 0.0000 Buried
100 A B 0.0000 Buried
101 V B -0.0859 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 -1.3449 Soluble
114 T B -0.9809 Soluble
115 S B -0.9067 Soluble
116 L B 0.0000 Buried
117 T B -0.2433 Soluble
118 F B 0.0000 Buried
119 G B 0.0000 Buried
120 G B -0.7001 Soluble
121 G B -0.7005 Soluble
122 T B 0.0000 Buried
123 K B -0.5026 Soluble
124 V B 0.0000 Buried
125 E B 0.0000 Buried
126 I B -0.6652 Soluble
127 K B -1.6818 Soluble
128 R B -0.9431 Soluble
129 T B 0.0472 Aggregation-prone
130 V B 0.8191 Aggregation-prone
131 A B 0.1987 Aggregation-prone
132 A B 0.0391 Aggregation-prone
133 P B 0.0000 Buried
134 S B -0.1293 Soluble
135 V B 0.0000 Buried
136 F B 0.1642 Aggregation-prone
137 I B 0.0910 Aggregation-prone
138 F B 0.0000 Buried
139 P B -0.4554 Soluble
140 P B 0.0000 Buried
141 S B -1.6117 Soluble
142 D B -2.7465 Soluble
143 E B -2.5229 Soluble
144 Q B 0.0000 Buried
145 L B -2.1402 Soluble
146 K B -2.7663 Soluble
147 S B -1.7021 Soluble
148 G B -1.2362 Soluble
149 T B -1.1086 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 -0.6817 Soluble
159 F B 0.0000 Buried
160 Y B 0.0000 Buried
161 P B -1.2597 Soluble
162 R B -2.0677 Soluble
163 E B -2.8640 Soluble
164 A B -2.1719 Soluble
165 K B -2.1706 Soluble
166 V B -1.2358 Soluble
167 Q B -0.8160 Soluble
168 W B 0.0000 Buried
169 K B -0.7755 Soluble
170 V B 0.0000 Buried
171 D B -1.9168 Soluble
172 N B -1.4723 Soluble
173 A B -0.4538 Soluble
174 L B 0.3070 Aggregation-prone
175 Q B -0.3023 Soluble
176 S B -0.6205 Soluble
177 G B -0.9485 Soluble
178 N B -0.8850 Soluble
179 S B -1.0952 Soluble
180 Q B -1.3344 Soluble
181 E B -1.3914 Soluble
182 S B -0.5575 Soluble
183 V B -0.6203 Soluble
184 T B -1.1258 Soluble
185 E B -2.1603 Soluble
186 Q B -1.7314 Soluble
187 D B -1.8458 Soluble
188 S B -1.6365 Soluble
189 K B -2.1724 Soluble
190 D B -1.5009 Soluble
191 S B -1.5612 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 -0.5961 Soluble
199 L B 0.0000 Buried
200 T B -0.4245 Soluble
201 L B -0.4625 Soluble
202 S B -0.9962 Soluble
203 K B -1.8428 Soluble
204 A B -1.5427 Soluble
205 D B -1.9011 Soluble
206 Y B 0.0000 Buried
207 E B -2.7271 Soluble
208 K B -3.1461 Soluble
209 H B -2.5802 Soluble
210 K B -2.6209 Soluble
211 V B -1.1789 Soluble
212 Y B 0.0000 Buried
213 A B 0.0000 Buried
214 C B 0.0000 Buried
215 E B -0.8859 Soluble
216 V B 0.0000 Buried
217 T B -1.1639 Soluble
218 H B 0.0000 Buried
219 Q B -1.3843 Soluble
220 G B -0.2937 Soluble
221 L B -0.1613 Soluble
222 S B -0.4166 Soluble
223 S B -0.3778 Soluble
224 P B -0.5429 Soluble
225 V B 0.1640 Aggregation-prone
226 T B -0.4568 Soluble
227 K B -0.7261 Soluble
228 S B -0.5363 Soluble
229 F B -0.8096 Soluble
230 N B -1.7040 Soluble
231 R B -2.2773 Soluble
232 G B -1.9945 Soluble
233 E B -2.6085 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 -0.6324 5.2255 CSV PDB
4.5 -0.6708 5.1601 CSV PDB
5.0 -0.7163 5.0529 CSV PDB
5.5 -0.7595 4.931 CSV PDB
6.0 -0.7898 4.8642 CSV PDB
6.5 -0.7984 4.8056 CSV PDB
7.0 -0.7846 4.7651 CSV PDB
7.5 -0.7559 4.7445 CSV PDB
8.0 -0.7191 4.7363 CSV PDB
8.5 -0.6768 4.7334 CSV PDB
9.0 -0.6293 4.7322 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH